smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1c2ccccc2N(Cc2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000000629277 526514897 /nfs/dbraw/zinc/51/48/97/526514897.db2.gz WEYFLEMJWWJQMC-QFIPXVFZSA-N 0 3 373.459 5.903 50 30 FKEAHN N#CC1c2ccccc2N(Cc2ccccc2)C=C1c1ccc2ccccc2n1 ZINC000000629279 526501523 /nfs/dbraw/zinc/50/15/23/526501523.db2.gz WEYFLEMJWWJQMC-JOCHJYFZSA-N 0 3 373.459 5.903 50 30 FKEAHN N#CC(c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl ZINC000001385436 570498118 /nfs/dbraw/zinc/49/81/18/570498118.db2.gz QPFCQUDSQBPLHW-MRVPVSSYSA-N 0 3 365.569 5.716 50 30 FKEAHN N#CC(c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl ZINC000001385437 204002959 /nfs/dbraw/zinc/00/29/59/204002959.db2.gz QPFCQUDSQBPLHW-QMMMGPOBSA-N 0 3 365.569 5.716 50 30 FKEAHN N#CC(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000001385487 570498034 /nfs/dbraw/zinc/49/80/34/570498034.db2.gz PRVJSXWJRABXHX-SNVBAGLBSA-N 0 3 365.569 5.716 50 30 FKEAHN N#CC(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000001385488 570497991 /nfs/dbraw/zinc/49/79/91/570497991.db2.gz PRVJSXWJRABXHX-JTQLQIEISA-N 0 3 365.569 5.716 50 30 FKEAHN Cc1ccccc1CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000001454241 571114056 /nfs/dbraw/zinc/11/40/56/571114056.db2.gz JXUNMYIWZKHUML-HGJUWQSKSA-N 0 3 372.493 5.374 50 30 FKEAHN Cc1ccccc1CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000001454243 210354252 /nfs/dbraw/zinc/35/42/52/210354252.db2.gz JXUNMYIWZKHUML-STYZJACHSA-N 0 3 372.493 5.374 50 30 FKEAHN CCN(CC)CC#CCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001742363 535487807 /nfs/dbraw/zinc/48/78/07/535487807.db2.gz ZCDCCGCDGVHTBN-UHFFFAOYSA-N 0 3 356.922 5.288 50 30 FKEAHN CCCCCCCCCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 ZINC000001773959 519975113 /nfs/dbraw/zinc/97/51/13/519975113.db2.gz DDPJQMPWGGYLRI-UNMCSNQZSA-N 0 3 356.554 5.270 50 30 FKEAHN c1cc2c(NC3CCCCC3)ccc3c2c(c1)/C(=N/C1CCCCC1)C=C3 ZINC000001994842 204024074 /nfs/dbraw/zinc/02/40/74/204024074.db2.gz IHLLCPCKVCKZBI-SOYKGTTHSA-N 0 3 358.529 6.733 50 30 FKEAHN CCCCCCCCCCCC1=NCCc2c3cc(OC)ccc3[nH]c21 ZINC000002123948 519985934 /nfs/dbraw/zinc/98/59/34/519985934.db2.gz INIGDFMPVGSYTL-UHFFFAOYSA-N 0 3 354.538 6.443 50 30 FKEAHN CCN(CC)CC#CC[C@@H](c1ccccc1)c1ccccc1Br ZINC000002282487 571311679 /nfs/dbraw/zinc/31/16/79/571311679.db2.gz RVPLHAMOIKDANG-IBGZPJMESA-N 0 3 370.334 5.316 50 30 FKEAHN CCN(CC)CC#CC[C@H](c1ccccc1)c1ccccc1Br ZINC000002282488 209396264 /nfs/dbraw/zinc/39/62/64/209396264.db2.gz RVPLHAMOIKDANG-LJQANCHMSA-N 0 3 370.334 5.316 50 30 FKEAHN C(#CC(c1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1 ZINC000002317560 210150920 /nfs/dbraw/zinc/15/09/20/210150920.db2.gz IXFKFHMFLJTBRB-UHFFFAOYSA-N 0 3 371.568 6.042 50 30 FKEAHN COc1ccccc1[C@]1(CC/N=C/c2ccccc2)CCOC(C)(C)C1 ZINC000002477479 571337202 /nfs/dbraw/zinc/33/72/02/571337202.db2.gz OHMZOEVPWWALIC-WDRHXJDGSA-N 0 3 351.490 5.031 50 30 FKEAHN COc1ccccc1[C@@]1(CC/N=C/c2ccccc2)CCOC(C)(C)C1 ZINC000002477483 571337211 /nfs/dbraw/zinc/33/72/11/571337211.db2.gz OHMZOEVPWWALIC-HHEUTOACSA-N 0 3 351.490 5.031 50 30 FKEAHN N#CC(c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl ZINC000003851346 204111467 /nfs/dbraw/zinc/11/14/67/204111467.db2.gz WTBPAUZQFSZOPC-CYBMUJFWSA-N 0 3 372.280 5.590 50 30 FKEAHN N#CC(c1ccc(Sc2ccccc2)nn1)c1c(Cl)cccc1Cl ZINC000003851347 570569279 /nfs/dbraw/zinc/56/92/79/570569279.db2.gz WTBPAUZQFSZOPC-ZDUSSCGKSA-N 0 3 372.280 5.590 50 30 FKEAHN COc1ccccc1[C@H](CC/N=C/c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000004028076 206163993 /nfs/dbraw/zinc/16/39/93/206163993.db2.gz MZKGKUVVRZXESK-NQBWJNMBSA-N 0 3 365.517 5.493 50 30 FKEAHN COc1ccccc1[C@H](CC/N=C/c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000004028077 571354129 /nfs/dbraw/zinc/35/41/29/571354129.db2.gz MZKGKUVVRZXESK-KSCGDFCGSA-N 0 3 365.517 5.493 50 30 FKEAHN COc1ccccc1[C@@H](CC/N=C/c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000004028078 219533925 /nfs/dbraw/zinc/53/39/25/219533925.db2.gz MZKGKUVVRZXESK-DYRRUSJISA-N 0 3 365.517 5.493 50 30 FKEAHN COc1ccccc1[C@@H](CC/N=C/c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000004028079 206163048 /nfs/dbraw/zinc/16/30/48/206163048.db2.gz MZKGKUVVRZXESK-SQIHQLLESA-N 0 3 365.517 5.493 50 30 FKEAHN CC1(C)C[C@H]([C@@H](CC/N=C\c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000004093996 571355233 /nfs/dbraw/zinc/35/52/33/571355233.db2.gz WDBMCHUCIZNYQQ-FTAPRIJMSA-N 0 3 353.481 5.624 50 30 FKEAHN CC1(C)C[C@@H]([C@@H](CC/N=C\c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000004093998 520528741 /nfs/dbraw/zinc/52/87/41/520528741.db2.gz WDBMCHUCIZNYQQ-QEGVFGJESA-N 0 3 353.481 5.624 50 30 FKEAHN CCCCC[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000004375808 204135613 /nfs/dbraw/zinc/13/56/13/204135613.db2.gz BIMIEBMZQZLFKK-SNVIUIACSA-N 0 3 350.506 5.831 50 30 FKEAHN CCCCC[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000004375811 204135291 /nfs/dbraw/zinc/13/52/91/204135291.db2.gz BIMIEBMZQZLFKK-JWZWQBCJSA-N 0 3 350.506 5.831 50 30 FKEAHN N#CCCCCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004671146 570600043 /nfs/dbraw/zinc/60/00/43/570600043.db2.gz JHMFWDZLXCTOEP-UHFFFAOYSA-N 0 3 354.497 5.652 50 30 FKEAHN CC(C)CCOc1ccc(/C=N/[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004738399 263336570 /nfs/dbraw/zinc/33/65/70/263336570.db2.gz QGQHASDHCHVCFK-ZWHPZFCGSA-N 0 3 353.550 6.135 50 30 FKEAHN CC(C)CCOc1ccc(/C=N/[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004738400 263336618 /nfs/dbraw/zinc/33/66/18/263336618.db2.gz QGQHASDHCHVCFK-YSGNJBJASA-N 0 3 353.550 6.135 50 30 FKEAHN COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004802608 523437813 /nfs/dbraw/zinc/43/78/13/523437813.db2.gz UGWNKYKPHMNJKO-JKQJJNQASA-N 0 3 365.517 5.493 50 30 FKEAHN COc1ccc(/C=N/CC[C@@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004802619 571237292 /nfs/dbraw/zinc/23/72/92/571237292.db2.gz UGWNKYKPHMNJKO-ZLHBDVJSSA-N 0 3 365.517 5.493 50 30 FKEAHN COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000004802636 523439102 /nfs/dbraw/zinc/43/91/02/523439102.db2.gz UGWNKYKPHMNJKO-OIEYBBHHSA-N 0 3 365.517 5.493 50 30 FKEAHN COc1ccc(/C=N/CC[C@H](c2ccccc2)[C@H]2CCOC(C)(C)C2)cc1 ZINC000004802647 571237319 /nfs/dbraw/zinc/23/73/19/571237319.db2.gz UGWNKYKPHMNJKO-KLDSZTKKSA-N 0 3 365.517 5.493 50 30 FKEAHN CCOc1ccc2nc3cc(/N=C/c4ccc(OC)cc4)ccc3c(N)c2c1 ZINC000004811431 571237791 /nfs/dbraw/zinc/23/77/91/571237791.db2.gz KXZBEQKKAQFWNL-AFUMVMLFSA-N 0 3 371.440 5.128 50 30 FKEAHN CC1(C)C[C@H]([C@H](CC/N=C\c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000004825543 207053121 /nfs/dbraw/zinc/05/31/21/207053121.db2.gz WDBMCHUCIZNYQQ-AHXSBLOASA-N 0 3 353.481 5.624 50 30 FKEAHN CC1(C)C[C@@H]([C@H](CC/N=C\c2ccccc2)c2ccc(F)cc2)CCO1 ZINC000004825547 520528311 /nfs/dbraw/zinc/52/83/11/520528311.db2.gz WDBMCHUCIZNYQQ-VHNRHDGUSA-N 0 3 353.481 5.624 50 30 FKEAHN C=C(C)[C@H]1CC=C(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004980930 571072946 /nfs/dbraw/zinc/07/29/46/571072946.db2.gz QMRBBQQLPAFURI-SFHVURJKSA-N 0 3 364.455 5.130 50 30 FKEAHN C=C(C)[C@@H]1CC=C(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004980932 571072765 /nfs/dbraw/zinc/07/27/65/571072765.db2.gz QMRBBQQLPAFURI-GOSISDBHSA-N 0 3 364.455 5.130 50 30 FKEAHN Cc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc(N)cc3)n2)cc1 ZINC000004981532 207067524 /nfs/dbraw/zinc/06/75/24/207067524.db2.gz PHAKEYKMHAWMFW-JVWAILMASA-N 0 3 367.456 5.024 50 30 FKEAHN O=C1c2ccccc2C2=C1C(c1ccccc1F)Sc1ccccc1N2 ZINC000005376896 570650872 /nfs/dbraw/zinc/65/08/72/570650872.db2.gz CDAKPFQZGOQNRM-JOCHJYFZSA-N 0 3 359.425 5.692 50 30 FKEAHN O=C1c2ccccc2C2=C1C(c1ccccc1F)Sc1ccccc1N2 ZINC000005376904 570650901 /nfs/dbraw/zinc/65/09/01/570650901.db2.gz CDAKPFQZGOQNRM-QFIPXVFZSA-N 0 3 359.425 5.692 50 30 FKEAHN N#Cc1ccc(COc2ccc3ccccc3c2CN2CCCCC2)cc1 ZINC000006508821 207144123 /nfs/dbraw/zinc/14/41/23/207144123.db2.gz KQNFZTZLJFETCG-UHFFFAOYSA-N 0 3 356.469 5.276 50 30 FKEAHN C=CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000006855836 571104304 /nfs/dbraw/zinc/10/43/04/571104304.db2.gz JTFXXELAJDADTH-UHFFFAOYSA-N 0 3 372.295 6.001 50 30 FKEAHN C=CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000008253951 518952157 /nfs/dbraw/zinc/95/21/57/518952157.db2.gz UXXIKJRJLYQEQI-UHFFFAOYSA-N 0 3 366.288 5.247 50 30 FKEAHN C=CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000008254109 518953101 /nfs/dbraw/zinc/95/31/01/518953101.db2.gz RRIPJJJMJODTKC-UHFFFAOYSA-N 0 3 366.288 5.247 50 30 FKEAHN C=CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 ZINC000008254574 518952773 /nfs/dbraw/zinc/95/27/73/518952773.db2.gz MYYOXVYQLRSXDB-UHFFFAOYSA-N 0 3 366.288 5.247 50 30 FKEAHN CC(C)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000008685320 204338753 /nfs/dbraw/zinc/33/87/53/204338753.db2.gz UQSMUOGDKXYLDZ-UHFFFAOYSA-N 0 3 367.562 5.172 50 30 FKEAHN C=CCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315587 571115104 /nfs/dbraw/zinc/11/51/04/571115104.db2.gz VMWZEMAGRJAGHU-UHFFFAOYSA-N 0 3 359.300 5.580 50 30 FKEAHN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1cccc(C#N)c1 ZINC000011344664 207312514 /nfs/dbraw/zinc/31/25/14/207312514.db2.gz ANEYIQQFRMLMKU-SFHVURJKSA-N 0 3 369.468 5.004 50 30 FKEAHN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1cccc(C#N)c1 ZINC000011344668 571234112 /nfs/dbraw/zinc/23/41/12/571234112.db2.gz ANEYIQQFRMLMKU-GOSISDBHSA-N 0 3 369.468 5.004 50 30 FKEAHN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\C1CCCCC1 ZINC000012879922 571322884 /nfs/dbraw/zinc/32/28/84/571322884.db2.gz UBVDQPPYMIRBTH-TXFOKPOVSA-N 0 3 355.610 7.193 50 30 FKEAHN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\C1CCCCC1 ZINC000012879929 571322867 /nfs/dbraw/zinc/32/28/67/571322867.db2.gz UBVDQPPYMIRBTH-SWZIWVEMSA-N 0 3 355.610 7.193 50 30 FKEAHN Cc1ccc(CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000013153467 570775207 /nfs/dbraw/zinc/77/52/07/570775207.db2.gz HBBRONITQWWMNS-HGJUWQSKSA-N 0 3 372.493 5.374 50 30 FKEAHN Cc1ccc(CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000013153468 570775014 /nfs/dbraw/zinc/77/50/14/570775014.db2.gz HBBRONITQWWMNS-STYZJACHSA-N 0 3 372.493 5.374 50 30 FKEAHN O/N=C1\C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000013301347 570776275 /nfs/dbraw/zinc/77/62/75/570776275.db2.gz ODMJIIJUJAYBCI-UBGGSZPBSA-N 0 3 356.469 5.151 50 30 FKEAHN O/N=C1\C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1Cc1ccccc1 ZINC000013301359 570776385 /nfs/dbraw/zinc/77/63/85/570776385.db2.gz ODMJIIJUJAYBCI-WPCOALAPSA-N 0 3 356.469 5.151 50 30 FKEAHN CCCCC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)N(C)[C@@H]1c1ccccc1 ZINC000013468180 571095860 /nfs/dbraw/zinc/09/58/60/571095860.db2.gz BIMIEBMZQZLFKK-ITMQSYJTSA-N 0 3 350.506 5.831 50 30 FKEAHN CCCCC[C@@H]1/C(=N/O)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000013468184 571308169 /nfs/dbraw/zinc/30/81/69/571308169.db2.gz BIMIEBMZQZLFKK-ZKDDFZEFSA-N 0 3 350.506 5.831 50 30 FKEAHN C=CCNCc1cccc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000013730079 571120293 /nfs/dbraw/zinc/12/02/93/571120293.db2.gz ZKIPDPRXCMVGOT-UHFFFAOYSA-N 0 3 366.288 5.247 50 30 FKEAHN C=C(C)C[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CCC ZINC000017143622 571275259 /nfs/dbraw/zinc/27/52/59/571275259.db2.gz OFQYKKPBFBWGLV-YJMUNGTFSA-N 0 3 363.545 5.822 50 30 FKEAHN C=C(C)C[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CCC ZINC000017143623 571275286 /nfs/dbraw/zinc/27/52/86/571275286.db2.gz OFQYKKPBFBWGLV-AQENTZESSA-N 0 3 363.545 5.822 50 30 FKEAHN C=C(C)C[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CCC ZINC000017143625 571275246 /nfs/dbraw/zinc/27/52/46/571275246.db2.gz OFQYKKPBFBWGLV-VKZFYUIYSA-N 0 3 363.545 5.822 50 30 FKEAHN C=C(C)C[C@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CCC ZINC000017143627 571275269 /nfs/dbraw/zinc/27/52/69/571275269.db2.gz OFQYKKPBFBWGLV-WKNJGTSGSA-N 0 3 363.545 5.822 50 30 FKEAHN C#CCOc1ccc(CN[C@@H](C)c2cccc3ccccc32)cc1OCC ZINC000022787936 518326116 /nfs/dbraw/zinc/32/61/16/518326116.db2.gz ZEFFLXVGSXUPKS-SFHVURJKSA-N 0 3 359.469 5.101 50 30 FKEAHN C#CCOc1ccc(CN[C@H](C)c2cccc3ccccc32)cc1OCC ZINC000022787942 518326334 /nfs/dbraw/zinc/32/63/34/518326334.db2.gz ZEFFLXVGSXUPKS-GOSISDBHSA-N 0 3 359.469 5.101 50 30 FKEAHN Cc1ccc([C@@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2)cc1 ZINC000025361901 525776335 /nfs/dbraw/zinc/77/63/35/525776335.db2.gz KILCSKPOEFYYHR-VWLOTQADSA-N 0 3 369.512 5.224 50 30 FKEAHN Cc1ccc([C@H](NCc2ccc(N(C)CCC#N)cc2)c2ccccc2)cc1 ZINC000025361904 525969166 /nfs/dbraw/zinc/96/91/66/525969166.db2.gz KILCSKPOEFYYHR-RUZDIDTESA-N 0 3 369.512 5.224 50 30 FKEAHN CCCCCCCC1CCC(c2ccc(C(=O)CCN(C)C)cc2)CC1 ZINC000033353042 519970900 /nfs/dbraw/zinc/97/09/00/519970900.db2.gz FBJAGPZIMYFDSU-UHFFFAOYSA-N 0 3 357.582 6.455 50 30 FKEAHN COc1ccc(C(=O)/C=C\C2=C(N3CCCCCC3)Cc3ccccc32)cc1 ZINC000033374209 570484939 /nfs/dbraw/zinc/48/49/39/570484939.db2.gz DNUQFALCPWWMFV-PFONDFGASA-N 0 3 373.496 5.278 50 30 FKEAHN C=CCN(Cc1cccn1Cc1cccc(OC)c1)CC1CCCCC1 ZINC000035841140 571206497 /nfs/dbraw/zinc/20/64/97/571206497.db2.gz LHYWUZCKODSHQK-UHFFFAOYSA-N 0 3 352.522 5.113 50 30 FKEAHN C=CCN(CCC(C)C)Cc1cccn1Cc1cccc(C(F)(F)F)c1 ZINC000035841192 210170450 /nfs/dbraw/zinc/17/04/50/210170450.db2.gz UCIBFUQJAXZKQT-UHFFFAOYSA-N 0 3 364.455 5.589 50 30 FKEAHN C=C(C)C(O)(C(=C)C)c1ccc(CN(CCC)Cc2ccc(OC)cc2)o1 ZINC000036167689 571243964 /nfs/dbraw/zinc/24/39/64/571243964.db2.gz LYFNPPBLXATAFA-UHFFFAOYSA-N 0 3 369.505 5.040 50 30 FKEAHN C=CCC(O)(CC=C)c1ccc(CN(CCC)Cc2ccc(C)cc2)o1 ZINC000036202857 571244951 /nfs/dbraw/zinc/24/49/51/571244951.db2.gz XEWNUJHFHAEKBR-UHFFFAOYSA-N 0 3 353.506 5.340 50 30 FKEAHN C=CCC(O)(CC=C)c1ccc(CN(Cc2cccc(F)c2)CC(C)C)o1 ZINC000036203063 571244943 /nfs/dbraw/zinc/24/49/43/571244943.db2.gz HGTPRDHWLWXTSR-UHFFFAOYSA-N 0 3 371.496 5.417 50 30 FKEAHN C=CCC(O)(CC=C)c1ccc(CN(CCC)Cc2cccc(C)c2)o1 ZINC000036203493 204298608 /nfs/dbraw/zinc/29/86/08/204298608.db2.gz UMYLRXLHQDNCDW-UHFFFAOYSA-N 0 3 353.506 5.340 50 30 FKEAHN C=CCNCc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000040735280 518950630 /nfs/dbraw/zinc/95/06/30/518950630.db2.gz IWWHAMRDISPZMS-UHFFFAOYSA-N 0 3 372.295 6.001 50 30 FKEAHN C=CCNCc1c(OCc2ccc(F)cc2Cl)ccc2ccccc21 ZINC000040735490 518950715 /nfs/dbraw/zinc/95/07/15/518950715.db2.gz HOLYLPGGQIDWQS-UHFFFAOYSA-N 0 3 355.840 5.487 50 30 FKEAHN C=CCNCc1c(OCc2c(F)cccc2Cl)ccc2ccccc21 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/nfs/dbraw/zinc/03/51/69/520035169.db2.gz RSAFTPXPGWZEPD-UHFFFAOYSA-N 0 3 373.968 6.678 50 30 FKEAHN CCCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000106991170 520036986 /nfs/dbraw/zinc/03/69/86/520036986.db2.gz CIKSFFCJRMHPDA-UHFFFAOYSA-N 0 3 373.968 6.678 50 30 FKEAHN CCCCCCCNCc1cc(Cl)ccc1OCc1cccc(C)c1 ZINC000106991788 520057674 /nfs/dbraw/zinc/05/76/74/520057674.db2.gz OXCHOLZTIPLCMT-UHFFFAOYSA-N 0 3 359.941 6.287 50 30 FKEAHN CCCCCCCNCc1cc(Cl)ccc1OCc1ccccc1C ZINC000106991943 520057261 /nfs/dbraw/zinc/05/72/61/520057261.db2.gz CQMWPVIAVXMQRG-UHFFFAOYSA-N 0 3 359.941 6.287 50 30 FKEAHN CCCCC[C@@H]1/C(=N\O)C[C@H](c2ccccc2)N(C)[C@H]1c1ccccc1 ZINC000138296617 571311457 /nfs/dbraw/zinc/31/14/57/571311457.db2.gz BIMIEBMZQZLFKK-XGUBKSSSSA-N 0 3 350.506 5.831 50 30 FKEAHN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC/C2=N\C1CCCCC1 ZINC000245227969 525349221 /nfs/dbraw/zinc/34/92/21/525349221.db2.gz UBVDQPPYMIRBTH-OYUPSZCNSA-N 0 3 355.610 7.193 50 30 FKEAHN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\C1CCCCC1 ZINC000245227970 525348586 /nfs/dbraw/zinc/34/85/86/525348586.db2.gz UBVDQPPYMIRBTH-QUEBHWBCSA-N 0 3 355.610 7.193 50 30 FKEAHN O/N=C1\C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1Cc1ccccc1 ZINC000245311370 527589359 /nfs/dbraw/zinc/58/93/59/527589359.db2.gz ODMJIIJUJAYBCI-HMHFWWTJSA-N 0 3 356.469 5.151 50 30 FKEAHN O/N=C1\C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1Cc1ccccc1 ZINC000245311371 527590227 /nfs/dbraw/zinc/59/02/27/527590227.db2.gz ODMJIIJUJAYBCI-XEQYNUEHSA-N 0 3 356.469 5.151 50 30 FKEAHN CCCCCCCNCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000248259827 520060758 /nfs/dbraw/zinc/06/07/58/520060758.db2.gz MDCZVRNYYRXQCK-UHFFFAOYSA-N 0 3 362.521 5.053 50 30 FKEAHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C ZINC000252517966 571282136 /nfs/dbraw/zinc/28/21/36/571282136.db2.gz WDCCUYLBKYBQEA-BZPMIXESSA-N 0 3 370.802 5.168 50 30 FKEAHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)c2ncc(C(F)(F)F)cc2Cl)C1(C)C ZINC000252517967 571282087 /nfs/dbraw/zinc/28/20/87/571282087.db2.gz WDCCUYLBKYBQEA-YRGRVCCFSA-N 0 3 370.802 5.168 50 30 FKEAHN CCCN(CCC)c1ccc(C=NN(c2ccccc2)c2ccccc2)cc1 ZINC000252634779 571291341 /nfs/dbraw/zinc/29/13/41/571291341.db2.gz WQMFOUHFQAPSST-UHFFFAOYSA-N 0 3 371.528 6.485 50 30 FKEAHN CC(C)=C[C@@H]1[C@H](C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1(C)C ZINC000252679267 571292525 /nfs/dbraw/zinc/29/25/25/571292525.db2.gz KBQRTSPEVIKSDQ-WOSRLPQWSA-N 0 3 358.894 5.364 50 30 FKEAHN CC(C)=C[C@@H]1[C@@H](C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)C1(C)C ZINC000252679268 571292579 /nfs/dbraw/zinc/29/25/79/571292579.db2.gz KBQRTSPEVIKSDQ-ZENOOKHLSA-N 0 3 358.894 5.364 50 30 FKEAHN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC/C2=N\C1CCCCC1 ZINC000253499718 525913876 /nfs/dbraw/zinc/91/38/76/525913876.db2.gz UBVDQPPYMIRBTH-LCKOFFKDSA-N 0 3 355.610 7.193 50 30 FKEAHN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\C1CCCCC1 ZINC000253499722 525913739 /nfs/dbraw/zinc/91/37/39/525913739.db2.gz UBVDQPPYMIRBTH-TXVZDOCHSA-N 0 3 355.610 7.193 50 30 FKEAHN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@@H]1CC/C2=N\C1CCCCC1 ZINC000253534215 525349954 /nfs/dbraw/zinc/34/99/54/525349954.db2.gz UBVDQPPYMIRBTH-BMCBFJFGSA-N 0 3 355.610 7.193 50 30 FKEAHN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\C1CCCCC1 ZINC000253534216 525348951 /nfs/dbraw/zinc/34/89/51/525348951.db2.gz UBVDQPPYMIRBTH-YTHSPHAESA-N 0 3 355.610 7.193 50 30 FKEAHN