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/nfs/dbraw/zinc/05/29/78/332052978.db2.gz QYYRABDAUQILRZ-AWEZNQCLSA-N 1 2 288.416 4.252 20 30 CIEDLO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(Br)s1 ZINC000489499405 332057033 /nfs/dbraw/zinc/05/70/33/332057033.db2.gz QQBRNRDPYUDBJG-SNVBAGLBSA-N 1 2 286.238 4.051 20 30 CIEDLO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)s1 ZINC000489499405 332057034 /nfs/dbraw/zinc/05/70/34/332057034.db2.gz QQBRNRDPYUDBJG-SNVBAGLBSA-N 1 2 286.238 4.051 20 30 CIEDLO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000490159217 332083215 /nfs/dbraw/zinc/08/32/15/332083215.db2.gz QEKLIQQTALRAPO-UWVGGRQHSA-N 1 2 271.191 4.146 20 30 CIEDLO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000490159217 332083216 /nfs/dbraw/zinc/08/32/16/332083216.db2.gz QEKLIQQTALRAPO-UWVGGRQHSA-N 1 2 271.191 4.146 20 30 CIEDLO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000490159219 332083385 /nfs/dbraw/zinc/08/33/85/332083385.db2.gz QEKLIQQTALRAPO-ZJUUUORDSA-N 1 2 271.191 4.146 20 30 CIEDLO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000490159219 332083387 /nfs/dbraw/zinc/08/33/87/332083387.db2.gz QEKLIQQTALRAPO-ZJUUUORDSA-N 1 2 271.191 4.146 20 30 CIEDLO C#C[C@H]([NH2+][C@H](C)c1cc(C)ccn1)c1ccc(Cl)cc1 ZINC000491496724 332223281 /nfs/dbraw/zinc/22/32/81/332223281.db2.gz SLSYKSIUGTUSBK-CJNGLKHVSA-N 1 2 284.790 4.069 20 30 CIEDLO C[C@H](C#N)CNc1ccc2c(Cl)c3c([nH+]c2c1)CCCC3 ZINC000516900099 333085872 /nfs/dbraw/zinc/08/58/72/333085872.db2.gz XHAKMXMCYRZQSK-LLVKDONJSA-N 1 2 299.805 4.339 20 30 CIEDLO C=CCC[C@@H](C(=O)Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000188907292 333175854 /nfs/dbraw/zinc/17/58/54/333175854.db2.gz XUUNFHQVOKTTLU-QGZVFWFLSA-N 1 2 280.371 4.079 20 30 CIEDLO N#Cc1c(F)cccc1Nc1ccc(NC2CCCC2)[nH+]c1 ZINC000522623426 333292646 /nfs/dbraw/zinc/29/26/46/333292646.db2.gz MBLRMHJRCBOLEV-UHFFFAOYSA-N 1 2 296.349 4.190 20 30 CIEDLO Cc1cc2[nH+]cn(CCCCC(C)(C)C#N)c2cc1C ZINC000235884821 333372539 /nfs/dbraw/zinc/37/25/39/333372539.db2.gz URIULUQMAVQORC-UHFFFAOYSA-N 1 2 269.392 4.373 20 30 CIEDLO C=CCC[C@H](NCC[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000552251478 334308695 /nfs/dbraw/zinc/30/86/95/334308695.db2.gz YUVYBBSEIFJYTD-SFHVURJKSA-N 1 2 298.430 4.009 20 30 CIEDLO CC[C@H]([NH2+]Cc1ccccc1C#N)c1cc(F)ccc1F ZINC000179093148 335473111 /nfs/dbraw/zinc/47/31/11/335473111.db2.gz DYSPHNXPRKBVAM-KRWDZBQOSA-N 1 2 286.325 4.077 20 30 CIEDLO C=CCC[C@@H]([NH2+]Cc1nc(C(C)(C)C)no1)c1ccccc1 ZINC000180047369 335544904 /nfs/dbraw/zinc/54/49/04/335544904.db2.gz XVKDJNYNFVZAJQ-OAHLLOKOSA-N 1 2 299.418 4.164 20 30 CIEDLO C[C@H](Nc1[nH+]ccc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000354556303 534032630 /nfs/dbraw/zinc/03/26/30/534032630.db2.gz CFKXYICEIOCHAQ-LBPRGKRZSA-N 1 2 291.329 4.419 20 30 CIEDLO C=CC[N@@H+](Cc1cnc(CC)s1)Cc1ccccc1F ZINC000352654019 526379174 /nfs/dbraw/zinc/37/91/74/526379174.db2.gz GLEWKZVYPQNTSE-UHFFFAOYSA-N 1 2 290.407 4.033 20 30 CIEDLO C=CC[N@H+](Cc1cnc(CC)s1)Cc1ccccc1F ZINC000352654019 526379180 /nfs/dbraw/zinc/37/91/80/526379180.db2.gz GLEWKZVYPQNTSE-UHFFFAOYSA-N 1 2 290.407 4.033 20 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20 30 CIEDLO CC1(C#N)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000227521049 262391860 /nfs/dbraw/zinc/39/18/60/262391860.db2.gz ONHYCYPCEQYKDW-UHFFFAOYSA-N 1 2 283.202 4.119 20 30 CIEDLO N#CCC[N@@H+](Cc1ccccc1OC1CCCC1)CC1CC1 ZINC000353418855 263023681 /nfs/dbraw/zinc/02/36/81/263023681.db2.gz HOCOUSKYKIPKKP-UHFFFAOYSA-N 1 2 298.430 4.134 20 30 CIEDLO N#CCC[N@H+](Cc1ccccc1OC1CCCC1)CC1CC1 ZINC000353418855 263023682 /nfs/dbraw/zinc/02/36/82/263023682.db2.gz HOCOUSKYKIPKKP-UHFFFAOYSA-N 1 2 298.430 4.134 20 30 CIEDLO C=CCC[C@H]([NH2+]Cc1noc(C(C)(C)C)n1)c1ccccc1 ZINC000180047834 264394793 /nfs/dbraw/zinc/39/47/93/264394793.db2.gz KDTNHPQKEBVWKM-HNNXBMFYSA-N 1 2 299.418 4.164 20 30 CIEDLO N#CCC[N@H+](CCCC1CCCCC1)Cc1ccccn1 ZINC000347779461 265136463 /nfs/dbraw/zinc/13/64/63/265136463.db2.gz FBLBFYYTLCFMOM-UHFFFAOYSA-N 1 2 285.435 4.158 20 30 CIEDLO N#CCC[N@@H+](CCCC1CCCCC1)Cc1ccccn1 ZINC000347779461 265136464 /nfs/dbraw/zinc/13/64/64/265136464.db2.gz FBLBFYYTLCFMOM-UHFFFAOYSA-N 1 2 285.435 4.158 20 30 CIEDLO C=CCC[C@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1ccco1 ZINC000519197344 265363121 /nfs/dbraw/zinc/36/31/21/265363121.db2.gz RIZQJLTWNJFZHV-HNNXBMFYSA-N 1 2 295.386 4.261 20 30 CIEDLO C=CCC[C@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1ccco1 ZINC000519197344 265363123 /nfs/dbraw/zinc/36/31/23/265363123.db2.gz RIZQJLTWNJFZHV-HNNXBMFYSA-N 1 2 295.386 4.261 20 30 CIEDLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCCC#N ZINC000357557831 266323802 /nfs/dbraw/zinc/32/38/02/266323802.db2.gz XYSNMPMPXDLRPM-SNVBAGLBSA-N 1 2 283.202 4.216 20 30 CIEDLO C[C@@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCCC#N ZINC000357557831 266323804 /nfs/dbraw/zinc/32/38/04/266323804.db2.gz XYSNMPMPXDLRPM-SNVBAGLBSA-N 1 2 283.202 4.216 20 30 CIEDLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@H+]1CCCC#N ZINC000357557830 266323915 /nfs/dbraw/zinc/32/39/15/266323915.db2.gz XYSNMPMPXDLRPM-JTQLQIEISA-N 1 2 283.202 4.216 20 30 CIEDLO C[C@H]1c2cc(Cl)c(Cl)cc2CC[N@@H+]1CCCC#N ZINC000357557830 266323917 /nfs/dbraw/zinc/32/39/17/266323917.db2.gz XYSNMPMPXDLRPM-JTQLQIEISA-N 1 2 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C[C@@H]1CCC[C@@H](CC[N@H+](CCC#N)Cc2ccccn2)C1 ZINC000089129865 330380825 /nfs/dbraw/zinc/38/08/25/330380825.db2.gz JNEOEFQSKIZCSO-SJORKVTESA-N 1 2 285.435 4.014 20 30 CIEDLO C[C@@H]1CCC[C@@H](CC[N@@H+](CCC#N)Cc2ccccn2)C1 ZINC000089129865 330380826 /nfs/dbraw/zinc/38/08/26/330380826.db2.gz JNEOEFQSKIZCSO-SJORKVTESA-N 1 2 285.435 4.014 20 30 CIEDLO CC1(C#N)CC[NH+](Cc2cc(Cl)sc2Cl)CC1 ZINC000449229526 330907829 /nfs/dbraw/zinc/90/78/29/330907829.db2.gz BQXKFGKIYPIVJA-UHFFFAOYSA-N 1 2 289.231 4.181 20 30 CIEDLO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(Cl)ccc1Cl ZINC000450665355 330992003 /nfs/dbraw/zinc/99/20/03/330992003.db2.gz FUGHGFYKNXHLBW-SNVBAGLBSA-N 1 2 283.202 4.338 20 30 CIEDLO C=CC[N@@H+](CCC#N)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000451061958 331014286 /nfs/dbraw/zinc/01/42/86/331014286.db2.gz RQIKQDFZACPFLR-CYBMUJFWSA-N 1 2 296.336 4.254 20 30 CIEDLO C=CC[N@H+](CCC#N)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000451061958 331014287 /nfs/dbraw/zinc/01/42/87/331014287.db2.gz RQIKQDFZACPFLR-CYBMUJFWSA-N 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C=CCC1(c2nc(Cc3ccc[nH+]c3C)no2)CCCCC1 ZINC000420510008 329772591 /nfs/dbraw/zinc/77/25/91/329772591.db2.gz HBXHGELQFOIVEN-UHFFFAOYSA-N 1 2 297.402 4.142 20 30 CIEDLO C=C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000264467110 330061457 /nfs/dbraw/zinc/06/14/57/330061457.db2.gz MGJAIVAVSNLEFK-UHFFFAOYSA-N 1 2 276.430 4.024 20 30 CIEDLO C=C(C)[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(F)c(F)c1 ZINC000274804150 330108156 /nfs/dbraw/zinc/10/81/56/330108156.db2.gz WBLVFOZQVHFKRM-ZUZCIYMTSA-N 1 2 294.370 4.389 20 30 CIEDLO C=CCC[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccco1 ZINC000276498850 330113933 /nfs/dbraw/zinc/11/39/33/330113933.db2.gz WQUUBSCFZRIBCL-ZDUSSCGKSA-N 1 2 288.416 4.411 20 30 CIEDLO C=CCC[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccco1 ZINC000423211874 330178007 /nfs/dbraw/zinc/17/80/07/330178007.db2.gz HNXCLSMSWBDASP-MRXNPFEDSA-N 1 2 268.360 4.367 20 30 CIEDLO C=CC[N@H+](Cc1ccc(Cl)s1)Cc1ccnc(C)c1 ZINC000527535872 330263669 /nfs/dbraw/zinc/26/36/69/330263669.db2.gz WYRKYOOWOKTQLF-UHFFFAOYSA-N 1 2 292.835 4.293 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C#C[C@H]([NH2+][C@@H](C)c1cc(C)ccn1)c1ccc(Cl)cc1 ZINC000491496723 332223201 /nfs/dbraw/zinc/22/32/01/332223201.db2.gz SLSYKSIUGTUSBK-BBRMVZONSA-N 1 2 284.790 4.069 20 30 CIEDLO C[C@H](C#N)C[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000513957670 333054699 /nfs/dbraw/zinc/05/46/99/333054699.db2.gz COCYYHXOMWSTKY-OAHLLOKOSA-N 1 2 280.371 4.070 20 30 CIEDLO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1Oc1ccccc1 ZINC000513957670 333054700 /nfs/dbraw/zinc/05/47/00/333054700.db2.gz COCYYHXOMWSTKY-OAHLLOKOSA-N 1 2 280.371 4.070 20 30 CIEDLO C=C(C)[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(F)c(F)c1 ZINC000187373188 333169708 /nfs/dbraw/zinc/16/97/08/333169708.db2.gz IRWLHWFUVNABRU-SFHVURJKSA-N 1 2 298.336 4.243 20 30 CIEDLO C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1ccc(C#N)cc1 ZINC000227899521 333290292 /nfs/dbraw/zinc/29/02/92/333290292.db2.gz DKHVYJXHCGNFQT-CYBMUJFWSA-N 1 2 286.325 4.001 20 30 CIEDLO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1Cl ZINC000026227428 333413504 /nfs/dbraw/zinc/41/35/04/333413504.db2.gz ZTZGTTPVMAKPAM-GFCCVEGCSA-N 1 2 270.763 4.062 20 30 CIEDLO COc1cc(C)[nH+]c(CS[C@H](C)c2ccc(C#N)cc2)c1 ZINC000538524861 333603992 /nfs/dbraw/zinc/60/39/92/333603992.db2.gz CKFLHVNOBZAFGT-CYBMUJFWSA-N 1 2 298.411 4.265 20 30 CIEDLO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(Cl)c1Cl ZINC000174407612 335153931 /nfs/dbraw/zinc/15/39/31/335153931.db2.gz YRQUVINKTJLHRG-VIFPVBQESA-N 1 2 295.169 4.309 20 30 CIEDLO C=CCC[C@H](C)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000544602815 333939664 /nfs/dbraw/zinc/93/96/64/333939664.db2.gz DCGPZRJBZPHTKK-HNNXBMFYSA-N 1 2 293.414 4.368 20 30 CIEDLO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000547287173 334076000 /nfs/dbraw/zinc/07/60/00/334076000.db2.gz FXGHBDJTNICNKC-KRWDZBQOSA-N 1 2 282.362 4.275 20 30 CIEDLO CC(C)(C)C[N@H+](CCC#N)Cc1sccc1Cl ZINC000194380123 336019240 /nfs/dbraw/zinc/01/92/40/336019240.db2.gz VIWDEKYWMITCLE-UHFFFAOYSA-N 1 2 270.829 4.163 20 30 CIEDLO CC(C)(C)C[N@@H+](CCC#N)Cc1sccc1Cl ZINC000194380123 336019241 /nfs/dbraw/zinc/01/92/41/336019241.db2.gz VIWDEKYWMITCLE-UHFFFAOYSA-N 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