smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000005073689 519139896 /nfs/dbraw/zinc/13/98/96/519139896.db2.gz POXGDXUMCZNRCN-QHCPKHFHSA-N 0 3 395.543 4.118 50 30 GIEAHN COc1cc2c(cc1OC)C(=O)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 ZINC000000597028 570210664 /nfs/dbraw/zinc/21/06/64/570210664.db2.gz LPMOTUSFDTTWJL-UDWIEESQSA-N 0 3 377.484 4.281 50 30 GIEAHN C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000001006352 570251445 /nfs/dbraw/zinc/25/14/45/570251445.db2.gz GWLWQRRMIMIZSS-ACNPPRPFSA-N 0 3 380.488 4.134 50 30 GIEAHN C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21 ZINC000001024784 570747319 /nfs/dbraw/zinc/74/73/19/570747319.db2.gz NSBRKSWSLRQPJW-LYZACZEUSA-N 0 3 396.487 4.354 50 30 GIEAHN CN(C)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000019682381 571028204 /nfs/dbraw/zinc/02/82/04/571028204.db2.gz RNIQDJHIYCOASO-ZXVVBBHZSA-N 0 3 396.538 4.474 50 30 GIEAHN C[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)C1 ZINC000036383349 524107601 /nfs/dbraw/zinc/10/76/01/524107601.db2.gz QXRWTYKHXFRJOY-WMZOPIPTSA-N 0 3 392.503 4.349 50 30 GIEAHN C[C@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000057600733 524936460 /nfs/dbraw/zinc/93/64/60/524936460.db2.gz YQXCQOOCMWBICS-SESVDKBCSA-N 0 3 376.610 4.338 50 30 GIEAHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)C(C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000057741176 527659116 /nfs/dbraw/zinc/65/91/16/527659116.db2.gz YQDXQABCJVFSIE-PELKAZGASA-N 0 3 384.789 4.084 50 30 GIEAHN O=C(N=C(Nc1ccccc1)N1CCN(C2CCCCC2)CC1)c1ccccc1 ZINC000032946307 527660190 /nfs/dbraw/zinc/66/01/90/527660190.db2.gz YKLWFYHUDXFDKV-UHFFFAOYSA-N 0 3 390.531 4.245 50 30 GIEAHN CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2c(cccc2C)s1 ZINC000004359460 570705718 /nfs/dbraw/zinc/70/57/18/570705718.db2.gz IXWBBVNGPRFANJ-UHFFFAOYSA-N 0 3 392.528 4.465 50 30 GIEAHN CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1C#N ZINC000170617032 570874755 /nfs/dbraw/zinc/87/47/55/570874755.db2.gz NQYINTMXXFMPSJ-IIBYNOLFSA-N 0 3 380.492 4.158 50 30 GIEAHN N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1 ZINC000004325683 204038791 /nfs/dbraw/zinc/03/87/91/204038791.db2.gz VKHLNGZODADABB-QGZVFWFLSA-N 0 3 378.476 4.103 50 30 aggregator GIEAHN N#Cc1ccc(OCCN(CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000078772633 205375899 /nfs/dbraw/zinc/37/58/99/205375899.db2.gz YDOHOKXMSPASBP-UHFFFAOYSA-N 0 3 379.287 4.128 50 30 GIEAHN C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CCc4ccccc4)n3CC2)CC1 ZINC000012040018 518645518 /nfs/dbraw/zinc/64/55/18/518645518.db2.gz GYWHBKAVGKXEOX-JOCHJYFZSA-N 0 3 376.548 4.224 50 30 GIEAHN C[C@@H]1C[C@H](OC[C@H](S)CN2CCN(c3ccccc3)CC2)CC(C)(C)C1 ZINC000057600731 525457737 /nfs/dbraw/zinc/45/77/37/525457737.db2.gz YQXCQOOCMWBICS-HLAWJBBLSA-N 0 3 376.610 4.338 50 30 GIEAHN CCN(CC)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000020191121 570246556 /nfs/dbraw/zinc/24/65/56/570246556.db2.gz SMDDHFTUQRDLKR-XIEYBQDHSA-N 0 3 378.564 4.301 50 30 GIEAHN CCCCC1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O ZINC000101219069 570817856 /nfs/dbraw/zinc/81/78/56/570817856.db2.gz GOAYWCOHAUMVFY-NHKNDPDJSA-N 0 3 388.514 4.070 50 30 GIEAHN N#CC(C(=O)Nc1ccccn1)C(=O)c1cc2sc3ccccc3c2s1 ZINC000102104150 570841215 /nfs/dbraw/zinc/84/12/15/570841215.db2.gz CJMRDYZEFMRMCY-GFCCVEGCSA-N 0 3 377.450 4.472 50 30 GIEAHN CC(C)CNC(=O)C1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000012755241 571006427 /nfs/dbraw/zinc/00/64/27/571006427.db2.gz CHPQZLNHXCFOKF-UHFFFAOYSA-N 0 3 375.516 4.209 50 30 GIEAHN CC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 ZINC000004275308 571040710 /nfs/dbraw/zinc/04/07/10/571040710.db2.gz UZPKHDFYEWUZQP-UHFFFAOYSA-N 0 3 381.501 4.234 50 30 GIEAHN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1OC ZINC000003236855 817425629 /nfs/dbraw/zinc/42/56/29/817425629.db2.gz WJSZYQCPEYEMBL-UHFFFAOYSA-N 0 3 399.516 4.049 50 30 GIEAHN C=C[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000004631028 817533385 /nfs/dbraw/zinc/53/33/85/817533385.db2.gz GWLWQRRMIMIZSS-ZTAAAQKDSA-N 0 3 380.488 4.134 50 30 GIEAHN CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](NCc2ccc(C#CCCO)cc2)C1 ZINC000012112228 818143133 /nfs/dbraw/zinc/14/31/33/818143133.db2.gz FDBOEQINLBHLSV-XMMPIXPASA-N 0 3 399.538 4.410 50 30 GIEAHN CCCCC1S/C(=N\N=C\c2ccc3c(c2)OCO3)N(c2ccccc2)C1=O ZINC000004134818 204029135 /nfs/dbraw/zinc/02/91/35/204029135.db2.gz ZVOKNIXZKPUIRG-JIIKEMMSSA-N 0 3 395.484 4.444 50 30 GIEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3C[C@H]12 ZINC000059410465 518662014 /nfs/dbraw/zinc/66/20/14/518662014.db2.gz RKKGCRDYLZFHLX-FYEJASGKSA-N 0 3 394.559 4.123 50 30 GIEAHN C=CCOc1ccccc1CN(C(=S)NCCN(C)C)c1ccc(C)c(C)c1 ZINC000020623390 519068212 /nfs/dbraw/zinc/06/82/12/519068212.db2.gz GZUAWZSYKUSNPU-UHFFFAOYSA-N 0 3 397.588 4.311 50 30 GIEAHN Cc1nn(C)c(C)c1[C@H](C)C(=O)C(C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000057741188 527660737 /nfs/dbraw/zinc/66/07/37/527660737.db2.gz YQDXQABCJVFSIE-QPUJVOFHSA-N 0 3 384.789 4.084 50 30 GIEAHN N#CC(C(N)=O)[C@@H](SCc1ccccc1)c1ccc(Br)cc1 ZINC000023549806 570542127 /nfs/dbraw/zinc/54/21/27/570542127.db2.gz VIXPFPDPFIOCJJ-HOTGVXAUSA-N 0 3 375.291 4.049 50 30 GIEAHN C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21 ZINC000004618164 570674940 /nfs/dbraw/zinc/67/49/40/570674940.db2.gz NSBRKSWSLRQPJW-FHTPNYMGSA-N 0 3 396.487 4.354 50 30 GIEAHN CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C#N ZINC000170617027 570874607 /nfs/dbraw/zinc/87/46/07/570874607.db2.gz NQYINTMXXFMPSJ-KKSFZXQISA-N 0 3 380.492 4.158 50 30 GIEAHN CCc1cccc2c1ncc(C#N)c2N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000032932692 570945747 /nfs/dbraw/zinc/94/57/47/570945747.db2.gz DHNNUAOOHGGWGX-UHFFFAOYSA-N 0 3 395.510 4.253 50 30 GIEAHN C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000004631029 571042212 /nfs/dbraw/zinc/04/22/12/571042212.db2.gz GWLWQRRMIMIZSS-RMZUICIMSA-N 0 3 380.488 4.134 50 30 GIEAHN C=CCOc1ccccc1CN1CCC2(C[C@@H]2C(=O)NCc2cccs2)CC1 ZINC000014992526 818280754 /nfs/dbraw/zinc/28/07/54/818280754.db2.gz HHHWHXFRQJAMOB-HXUWFJFHSA-N 0 3 396.556 4.231 50 30 GIEAHN CC[C@@H](Cn1cnc(-c2ccccc2)c1-c1ccc(C#N)cc1)N1CCN(C)CC1 ZINC000065373929 205232328 /nfs/dbraw/zinc/23/23/28/205232328.db2.gz XMCGHVZEADNPGS-QHCPKHFHSA-N 0 3 399.542 4.115 50 30 GIEAHN CC(C)(O)C#Cc1ccc(CN2CCC[C@](CO)(CCc3ccccc3)C2)s1 ZINC000012094432 570235034 /nfs/dbraw/zinc/23/50/34/570235034.db2.gz WMUAWBJEBZXFJG-DEOSSOPVSA-N 0 3 397.584 4.078 50 30 GIEAHN CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(F)cc2s1 ZINC000005121861 570421678 /nfs/dbraw/zinc/42/16/78/570421678.db2.gz AZEUQQVBXFUALD-UHFFFAOYSA-N 0 3 396.491 4.296 50 30 GIEAHN C=CCOc1ccc(CN(C)C[C@@H](O)COc2cccc3ccccc32)cc1 ZINC000003390784 570864313 /nfs/dbraw/zinc/86/43/13/570864313.db2.gz XIKYZTGDAQDTNU-OAQYLSRUSA-N 0 3 377.484 4.276 50 30 GIEAHN N#CC(C(=O)Nc1cccnc1Cl)c1ncc(C(F)(F)F)cc1Cl ZINC000089773193 570912144 /nfs/dbraw/zinc/91/21/44/570912144.db2.gz IGAFMPWZWITWKC-MRVPVSSYSA-N 0 3 375.137 4.048 50 30 GIEAHN COc1ccc([C@@H](CNc2oc(-c3cccs3)nc2C#N)N(C)C)cc1OC ZINC000027990728 820302882 /nfs/dbraw/zinc/30/28/82/820302882.db2.gz IFACGQDBWAGQTI-OAHLLOKOSA-N 0 3 398.488 4.007 50 30 GIEAHN O=C(/C=C\c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1ccccc1 ZINC000033513485 527659894 /nfs/dbraw/zinc/65/98/94/527659894.db2.gz FUQMWHMVNUKFRR-MBWOQUJGSA-N 0 3 388.511 4.384 50 30 GIEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3C[C@@H]12 ZINC000061996992 570559104 /nfs/dbraw/zinc/55/91/04/570559104.db2.gz RKKGCRDYLZFHLX-MXCHMSEPSA-N 0 3 394.559 4.123 50 30 GIEAHN C=CCOC[C@@H](O)CN(CCC(C)C)Cc1cccn1Cc1ccccc1F ZINC000004354120 570691600 /nfs/dbraw/zinc/69/16/00/570691600.db2.gz CLLJZLFGGPOBEC-QFIPXVFZSA-N 0 3 388.527 4.087 50 30 GIEAHN CCN(CC)CCN(C(=O)c1ccc(C#N)cc1)c1nc2ccc(C)cc2s1 ZINC000004359432 570702015 /nfs/dbraw/zinc/70/20/15/570702015.db2.gz PFDJEISOKKPPOR-UHFFFAOYSA-N 0 3 392.528 4.465 50 30 GIEAHN CN1CCN(CCC[C@]2(C#N)c3ccccc3CSc3ccccc32)CC1 ZINC000019368861 523899541 /nfs/dbraw/zinc/89/95/41/523899541.db2.gz CDORIGHJSQCZRG-QHCPKHFHSA-N 0 3 377.557 4.130 50 30 GIEAHN Cc1nn(C)c(C)c1[C@@H](C)C(=O)C(C#N)c1ncc(C(F)(F)F)cc1Cl ZINC000057741185 527658809 /nfs/dbraw/zinc/65/88/09/527658809.db2.gz YQDXQABCJVFSIE-PRHODGIISA-N 0 3 384.789 4.084 50 30 GIEAHN CCCCC1S/C(=N\N=C\c2ccc3c(c2)OCO3)N(c2ccccc2)C1=O ZINC000004134817 204028517 /nfs/dbraw/zinc/02/85/17/204028517.db2.gz ZVOKNIXZKPUIRG-HTIXJGPSSA-N 0 3 395.484 4.444 50 30 GIEAHN C=CCc1ccc(OCCCN2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000020482139 519136239 /nfs/dbraw/zinc/13/62/39/519136239.db2.gz AZNUGNMQZYJDID-UHFFFAOYSA-N 0 3 380.532 4.010 50 30 GIEAHN C=CCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008470225 570221122 /nfs/dbraw/zinc/22/11/22/570221122.db2.gz OXUBQFFOUARVKT-UHFFFAOYSA-N 0 3 380.257 4.451 50 30 GIEAHN CCc1ccc([C@@H](CNc2oc(-c3cccnc3)nc2C#N)N2CCCC2)cc1 ZINC000035673078 570412074 /nfs/dbraw/zinc/41/20/74/570412074.db2.gz BBAWIVIJAAUCCY-OAQYLSRUSA-N 0 3 387.487 4.420 50 30 GIEAHN C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000252606858 571006949 /nfs/dbraw/zinc/00/69/49/571006949.db2.gz GWLWQRRMIMIZSS-JMJIWTKESA-N 0 3 380.488 4.134 50 30 GIEAHN C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)CC)c1ccnc2ccc(OC)cc21 ZINC000004631027 571042353 /nfs/dbraw/zinc/04/23/53/571042353.db2.gz GWLWQRRMIMIZSS-MTDBSEBISA-N 0 3 380.488 4.134 50 30 GIEAHN N#Cc1cccc(CN2CCC3(CC2)C[C@@H](CCOc2ccncc2)CCO3)c1 ZINC000575552401 823977278 /nfs/dbraw/zinc/97/72/78/823977278.db2.gz BEJCMOLORIWYNY-FQEVSTJZSA-N 0 3 391.515 4.184 50 30 GIEAHN COc1ccc(CN2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1C#N ZINC000095993106 206299767 /nfs/dbraw/zinc/29/97/67/206299767.db2.gz JZQUPKWMSJTKFH-GOSISDBHSA-N 0 3 379.508 4.112 50 30 GIEAHN COc1ccc(CN2CCC[C@@H](c3nc(C4CCCCC4)n[nH]3)C2)cc1C#N ZINC000095993106 206299771 /nfs/dbraw/zinc/29/97/71/206299771.db2.gz JZQUPKWMSJTKFH-GOSISDBHSA-N 0 3 379.508 4.112 50 30 GIEAHN COc1ccc([C@@H](CNc2oc(-c3ccc(C)cc3)nc2C#N)N(C)C)cc1 ZINC000027793567 207332422 /nfs/dbraw/zinc/33/24/22/207332422.db2.gz BSQUTIMSZBSMMX-HXUWFJFHSA-N 0 3 376.460 4.245 50 30 GIEAHN C=C(Cl)COc1nc2cc(SC)ccc2cc1CNCC1(C)COC1 ZINC000014984392 518650942 /nfs/dbraw/zinc/65/09/42/518650942.db2.gz PDAOUVQDSZCBLY-UHFFFAOYSA-N 0 3 378.925 4.214 50 30 GIEAHN Oc1nc(NN=Cc2cccs2)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000018209424 527045005 /nfs/dbraw/zinc/04/50/05/527045005.db2.gz NOIBOMFSKISZPU-VFJJTOLMSA-N 0 3 384.313 4.219 50 30 GIEAHN O=C1N=C(NN=Cc2cccs2)SC1Cc1ccc(Cl)c(Cl)c1 ZINC000018209424 527045008 /nfs/dbraw/zinc/04/50/08/527045008.db2.gz NOIBOMFSKISZPU-VFJJTOLMSA-N 0 3 384.313 4.219 50 30 GIEAHN Oc1nc(NN=Cc2cccs2)sc1Cc1ccc(Cl)c(Cl)c1 ZINC000018208621 527045236 /nfs/dbraw/zinc/04/52/36/527045236.db2.gz NOIBOMFSKISZPU-NACCWKTGSA-N 0 3 384.313 4.219 50 30 GIEAHN O=C1N=C(NN=Cc2cccs2)SC1Cc1ccc(Cl)c(Cl)c1 ZINC000018208621 527045243 /nfs/dbraw/zinc/04/52/43/527045243.db2.gz NOIBOMFSKISZPU-NACCWKTGSA-N 0 3 384.313 4.219 50 30 GIEAHN Cc1nc2ccc(NC=c3c(C)c(C#N)c4nc5ccccc5n4c3=O)cc2[nH]1 ZINC000016249483 527114037 /nfs/dbraw/zinc/11/40/37/527114037.db2.gz YBZCNDKEKDZAKG-BHGWPJFGSA-N 0 3 380.411 4.309 50 30 GIEAHN O=C(CC[C@H]1CCCN(Cc2ccccc2C#Cc2ccccc2)C1)NC1CC1 ZINC000011957456 570234402 /nfs/dbraw/zinc/23/44/02/570234402.db2.gz HLAXWOALHPNKRH-JOCHJYFZSA-N 0 3 386.539 4.357 50 30 GIEAHN C=CCNCc1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1 ZINC000040742313 570919046 /nfs/dbraw/zinc/91/90/46/570919046.db2.gz XAPDXMYMTUGJKC-UHFFFAOYSA-N 0 3 388.895 4.340 50 30 GIEAHN N#Cc1c(NC(=O)CN[C@H]2CCCc3ccccc32)sc2c1CCCCC2 ZINC000058137437 823364184 /nfs/dbraw/zinc/36/41/84/823364184.db2.gz AZEYFOVFCDMJMG-IBGZPJMESA-N 0 3 379.529 4.494 50 30 GIEAHN CCN(CC)CC#CC[C@@](O)(c1ccccc1)c1ccc(Br)cc1 ZINC000001825781 206248056 /nfs/dbraw/zinc/24/80/56/206248056.db2.gz BIVQRTYNZAKORQ-OAQYLSRUSA-N 0 3 386.333 4.420 50 30 GIEAHN Cc1c(C#N)c2nc3ccccc3n2c(NCCN(C)C)c1Cc1ccccc1 ZINC000000639657 206311158 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C=CCOc1ccc(CN(C)C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000003390777 817447293 /nfs/dbraw/zinc/44/72/93/817447293.db2.gz XIKYZTGDAQDTNU-NRFANRHFSA-N 0 3 377.484 4.276 50 30 GIEAHN C=C(C)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000012701637 518606872 /nfs/dbraw/zinc/60/68/72/518606872.db2.gz GIBNFLQQKAZMKN-UHFFFAOYSA-N 0 3 378.516 4.078 50 30 GIEAHN O=C(/C=C/c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1cccs1 ZINC000004116435 527646461 /nfs/dbraw/zinc/64/64/61/527646461.db2.gz VKEYFMSDOKCVMT-VYENPZKTSA-N 0 3 394.540 4.446 50 30 GIEAHN O=C(/C=C/c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1ccccc1 ZINC000004116451 527646984 /nfs/dbraw/zinc/64/69/84/527646984.db2.gz FUQMWHMVNUKFRR-TWLJRWAQSA-N 0 3 388.511 4.384 50 30 GIEAHN O=C(/C=C\c1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1cccs1 ZINC000033539924 527660376 /nfs/dbraw/zinc/66/03/76/527660376.db2.gz VKEYFMSDOKCVMT-GDWUOILNSA-N 0 3 394.540 4.446 50 30 GIEAHN CCCCC1S/C(=N/S(=O)(=O)c2ccccc2)N(c2ccccc2)C1=O ZINC000101219071 570818068 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COc1ccc(OC)c(CC(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000057525262 524838611 /nfs/dbraw/zinc/83/86/11/524838611.db2.gz PIMGNAUQYQQLGO-ZDUSSCGKSA-N 0 3 378.350 4.044 50 30 GIEAHN CC(=O)Nc1ccnn1C1CCN(Cc2ccccc2C#Cc2ccccc2)CC1 ZINC000015074496 570246612 /nfs/dbraw/zinc/24/66/12/570246612.db2.gz BBDOSUAYTWPNGT-UHFFFAOYSA-N 0 3 398.510 4.078 50 30 GIEAHN CN(C)CCNc1oc(-c2ccc(COc3ccc(Cl)cc3)o2)nc1C#N ZINC000008654620 221048883 /nfs/dbraw/zinc/04/88/83/221048883.db2.gz CFILHMCYGQQGHC-UHFFFAOYSA-N 0 3 386.839 4.012 50 30 GIEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 ZINC000012659835 518661361 /nfs/dbraw/zinc/66/13/61/518661361.db2.gz UNCXCKBXOLLLTG-HAYPCEDWSA-N 0 3 399.531 4.108 50 30 GIEAHN O=C(c1ccc(Cl)cc1)C(C(=S)[N-]Cc1ccccc1)[n+]1ccccc1 ZINC000012566423 527588746 /nfs/dbraw/zinc/58/87/46/527588746.db2.gz RHLAKVLDMMEOEA-UHFFFAOYSA-O 0 3 381.908 4.356 50 30 GIEAHN O=C(/C=C/c1cn(C[C@H](O)CN2CCCCC2)c2ccccc12)c1cccs1 ZINC000004116434 527646417 /nfs/dbraw/zinc/64/64/17/527646417.db2.gz VKEYFMSDOKCVMT-GNISGLHKSA-N 0 3 394.540 4.446 50 30 GIEAHN Cc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C ZINC000004672380 570820286 /nfs/dbraw/zinc/82/02/86/570820286.db2.gz RYCBRCZZTJRNED-UHFFFAOYSA-N 0 3 383.517 4.105 50 30 GIEAHN CCCc1cc(N2CCN(C3CCCC3)CC2)n2c3ccccc3nc2c1C#N ZINC000004136203 570961217 /nfs/dbraw/zinc/96/12/17/570961217.db2.gz XLSJMWZSJIRUQS-UHFFFAOYSA-N 0 3 387.531 4.376 50 30 GIEAHN N#Cc1c(NC(=O)CCN2CCc3ccccc3C2)sc2c1CCCCC2 ZINC000002626976 817393501 /nfs/dbraw/zinc/39/35/01/817393501.db2.gz RZQONINWITYQCB-UHFFFAOYSA-N 0 3 379.529 4.276 50 30 GIEAHN COc1ccc([C@@H](CNc2oc(-c3ccccc3F)nc2C#N)N(C)C)cc1 ZINC000027793556 221661558 /nfs/dbraw/zinc/66/15/58/221661558.db2.gz IXSLMRJZYWQLNH-LJQANCHMSA-N 0 3 380.423 4.076 50 30 GIEAHN CCc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CN(C(C)C)CC2 ZINC000033317821 570972983 /nfs/dbraw/zinc/97/29/83/570972983.db2.gz AZOLOHNZCDECMA-UHFFFAOYSA-N 0 3 394.544 4.013 50 30 GIEAHN