smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(Sc2cccc(N)c2C#N)c1 ZINC000000020466 179177272 /nfs/dbraw/zinc/17/72/72/179177272.db2.gz VGPLRZAJQWYFDD-UHFFFAOYSA-N 0 0 240.331 3.600 10 30 in-vivo BHEERN C[C@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc21 ZINC000000025479 132312358 /nfs/dbraw/zinc/31/23/58/132312358.db2.gz UXLGYJWIWHMDNY-VIFPVBQESA-N 0 0 247.725 3.510 10 30 BHEERN CC(=O)/C=C/c1sc2ccccc2c1C ZINC000000162048 187244630 /nfs/dbraw/zinc/24/46/30/187244630.db2.gz WJERVYGWRAEGNK-BQYQJAHWSA-N 0 0 216.305 3.812 10 30 BHEERN O/N=C/C(=C(/Cl)C(F)(F)F)c1ccccc1 ZINC000000165313 383838291 /nfs/dbraw/zinc/83/82/91/383838291.db2.gz ADLJYFYSDNWAMU-GMLODJKISA-N 0 0 249.619 3.659 10 30 BHEERN S=C1SCC=C1C=NC1CCCCC1 ZINC000000270944 183316560 /nfs/dbraw/zinc/31/65/60/183316560.db2.gz LEXVJHQINZUQCI-WQLSENKSSA-N 0 0 225.382 3.788 10 30 BHEERN C(=N/c1cccc2ccccc21)\c1cccnc1 ZINC000000282672 166229464 /nfs/dbraw/zinc/22/94/64/166229464.db2.gz UOBDXQOKGGDLPX-LDADJPATSA-N 0 0 232.286 3.985 10 30 BHEERN N#Cc1cccc(/N=C/c2ccccc2Cl)c1 ZINC000000296906 181134456 /nfs/dbraw/zinc/13/44/56/181134456.db2.gz YHNSHENEZNUNHT-LICLKQGHSA-N 0 0 240.693 3.962 10 30 BHEERN Cc1ccc(/C=N/c2ccc(Cl)cc2)o1 ZINC000000298059 368532287 /nfs/dbraw/zinc/53/22/87/368532287.db2.gz BOPFIWQDWJDPHN-RIYZIHGNSA-N 0 0 219.671 3.992 10 30 BHEERN N#Cc1cc(-c2ccccc2)c(Cl)nc1Cl ZINC000000331585 181080574 /nfs/dbraw/zinc/08/05/74/181080574.db2.gz USEKKVXWLMTDNW-UHFFFAOYSA-N 0 0 249.100 3.927 10 30 BHEERN Oc1ccccc1/C=N\c1ccccc1Cl ZINC000000362596 183299543 /nfs/dbraw/zinc/29/95/43/183299543.db2.gz RJZYMXSMSDKXBO-DHDCSXOGSA-N 0 0 231.682 3.796 10 30 BHEERN N#Cc1ccc(/N=C\c2ccc(Cl)cc2)cc1 ZINC000000498062 181097009 /nfs/dbraw/zinc/09/70/09/181097009.db2.gz GONDMLUXUOZZNS-YVLHZVERSA-N 0 0 240.693 3.962 10 30 BHEERN Cc1ccc(/C=N\c2ccc(C#N)cc2)cc1 ZINC000000502738 188273361 /nfs/dbraw/zinc/27/33/61/188273361.db2.gz UQBQQMKBXSJPDJ-BOPFTXTBSA-N 0 0 220.275 3.617 10 30 BHEERN Cc1ccc(/N=C\c2ccc(C#N)cc2)cc1 ZINC000000502748 178360240 /nfs/dbraw/zinc/36/02/40/178360240.db2.gz IRCYPZGHGCCFMZ-BOPFTXTBSA-N 0 0 220.275 3.617 10 30 BHEERN Cc1ccc(/C=N/c2ccc(O)cc2)s1 ZINC000000516944 187301157 /nfs/dbraw/zinc/30/11/57/187301157.db2.gz WEPAADNMZYANTA-MDWZMJQESA-N 0 0 217.293 3.513 10 30 BHEERN Cc1ccsc1/C=N/c1ccccc1 ZINC000000516968 179534904 /nfs/dbraw/zinc/53/49/04/179534904.db2.gz SMISPGDSROHBIE-UKTHLTGXSA-N 0 0 201.294 3.807 10 30 BHEERN Cc1ccc(O)c(/N=C\c2ccc(F)cc2)c1 ZINC000000524231 342689129 /nfs/dbraw/zinc/68/91/29/342689129.db2.gz PERNMEZVJZOVRO-SXGWCWSVSA-N 0 0 229.254 3.590 10 30 BHEERN CC(=O)c1cccc(N=Cc2ccc(F)cc2)c1 ZINC000000524274 383875467 /nfs/dbraw/zinc/87/54/67/383875467.db2.gz RGDYWIDNRKCTKH-YVLHZVERSA-N 0 0 241.265 3.779 10 30 BHEERN CC(=O)c1ccc(N=Cc2ccc(F)cc2)cc1 ZINC000000524276 383875151 /nfs/dbraw/zinc/87/51/51/383875151.db2.gz GVCBVTGBFQTTFB-YVLHZVERSA-N 0 0 241.265 3.779 10 30 BHEERN COc1cccc(/C=N/c2ccc(F)cc2)c1 ZINC000000524319 175241261 /nfs/dbraw/zinc/24/12/61/175241261.db2.gz LTYSYYBPLPAZGI-MHWRWJLKSA-N 0 0 229.254 3.585 10 30 BHEERN COc1cccc(/C=N/c2ccc(C)cc2)c1 ZINC000000524431 175241418 /nfs/dbraw/zinc/24/14/18/175241418.db2.gz QQIVJOVRFNVBHY-LFIBNONCSA-N 0 0 225.291 3.754 10 30 BHEERN COc1ccc(/N=C/c2sccc2C)cc1 ZINC000000571112 175049903 /nfs/dbraw/zinc/04/99/03/175049903.db2.gz URWUHNITLUTLLG-NTEUORMPSA-N 0 0 231.320 3.816 10 30 BHEERN COc1ccc(/N=C/c2ccc(C)s2)cc1 ZINC000000575450 175049697 /nfs/dbraw/zinc/04/96/97/175049697.db2.gz QOGHWNXRHDHDPZ-NTEUORMPSA-N 0 0 231.320 3.816 10 30 BHEERN Cc1ccc(/N=C/c2cccc(O)c2)cc1C ZINC000000575529 178359603 /nfs/dbraw/zinc/35/96/03/178359603.db2.gz ZRPFPCXBWBBORU-MHWRWJLKSA-N 0 0 225.291 3.760 10 30 BHEERN Cc1ccc(/C=N/c2ccc(F)cc2)s1 ZINC000000575853 188100195 /nfs/dbraw/zinc/10/01/95/188100195.db2.gz GJTHTLQUTRWKFJ-RIYZIHGNSA-N 0 0 219.284 3.946 10 30 BHEERN Cc1c(/N=C\c2cccs2)cccc1[N+](=O)[O-] ZINC000000585451 342690684 /nfs/dbraw/zinc/69/06/84/342690684.db2.gz ZGJUENWNOUNWRU-JYRVWZFOSA-N 0 0 246.291 3.715 10 30 BHEERN CC(=O)c1ccc(N=Cc2cccs2)cc1 ZINC000000585475 383877535 /nfs/dbraw/zinc/87/75/35/383877535.db2.gz OONFHWFVJJQXIL-ZROIWOOFSA-N 0 0 229.304 3.701 10 30 BHEERN C=C(C)c1cc2cc(C(C)=O)ccc2o1 ZINC000000897756 560179140 /nfs/dbraw/zinc/17/91/40/560179140.db2.gz DMYZBECNVZSNRN-UHFFFAOYSA-N 0 0 200.237 3.669 10 30 biogenic,in-vitro BHEERN C=C(C)c1cc2cc(C(C)=O)c(OC)cc2o1 ZINC000000897781 560179104 /nfs/dbraw/zinc/17/91/04/560179104.db2.gz XFSSPJGVPRWHLS-UHFFFAOYSA-N 0 0 230.263 3.677 10 30 in-vitro BHEERN C=C(C)c1ccc(C)c2ccc(C=O)c-2c1 ZINC000000967542 571679502 /nfs/dbraw/zinc/67/95/02/571679502.db2.gz PUEUPUYRYIOTKZ-UHFFFAOYSA-N 0 0 210.276 3.945 10 30 endogenous,in-man BHEERN N#Cc1csc2ccc(Br)cc12 ZINC000000976715 181167299 /nfs/dbraw/zinc/16/72/99/181167299.db2.gz YXAYWAAKHDNNEC-UHFFFAOYSA-N 0 0 238.109 3.535 10 30 BHEERN C(#C[C@H]1C=Cc2ccccc2O1)c1ccccc1 ZINC000001060142 166225443 /nfs/dbraw/zinc/22/54/43/166225443.db2.gz QUYOKKORBGGOQE-INIZCTEOSA-N 0 0 232.282 3.513 10 30 BHEERN C(#C[C@@H]1C=Cc2ccccc2O1)c1ccccc1 ZINC000001060144 166225959 /nfs/dbraw/zinc/22/59/59/166225959.db2.gz QUYOKKORBGGOQE-MRXNPFEDSA-N 0 0 232.282 3.513 10 30 BHEERN CC(=O)/C=C/C=C1/[C@@H]2CC[C@@H](C2)C1(C)C ZINC000001481989 342701741 /nfs/dbraw/zinc/70/17/41/342701741.db2.gz WDMFHQNUSVLQMS-WSTBQAIOSA-N 0 0 204.313 3.514 10 30 in-man BHEERN CC(C)=CCC/C(C)=C/CC1=CC(=O)C=CC1=O ZINC000001531775 560181489 /nfs/dbraw/zinc/18/14/89/560181489.db2.gz GAJSCEURGWVNBZ-NTUHNPAUSA-N 0 0 244.334 3.704 10 30 in-vitro BHEERN C=CCc1cc(-c2ccccc2)ccc1O ZINC000001562039 355906976 /nfs/dbraw/zinc/90/69/76/355906976.db2.gz QUBJGQWSBDHZCI-UHFFFAOYSA-N 0 0 210.276 3.788 10 30 BHEERN Cc1ccc([C@@H](C#N)Nc2ccccc2)cc1 ZINC000001570101 178831845 /nfs/dbraw/zinc/83/18/45/178831845.db2.gz APAWRKSEEOOHLH-OAHLLOKOSA-N 0 0 222.291 3.672 10 30 BHEERN C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12C[C@@H]1O[C@@]13C ZINC000001588272 176237318 /nfs/dbraw/zinc/23/73/18/176237318.db2.gz HZRFVTRTTXBHSE-RIMRTXSHSA-N 0 0 220.356 3.626 10 30 BHEERN CCC(C)(C)c1ccc(C[C@@H](C)C=O)cc1 ZINC000001589926 356981949 /nfs/dbraw/zinc/98/19/49/356981949.db2.gz YEDZFQXXPSYBGE-GFCCVEGCSA-N 0 0 218.340 3.752 10 30 BHEERN N#Cc1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000001596654 181126627 /nfs/dbraw/zinc/12/66/27/181126627.db2.gz UFCKWJSAGVJKDC-INIZCTEOSA-N 0 0 234.302 3.658 10 30 BHEERN Cc1ccc(N[C@@H](C#N)c2ccccc2)cc1 ZINC000001599059 178769479 /nfs/dbraw/zinc/76/94/79/178769479.db2.gz XECYKIVQTHEAFN-HNNXBMFYSA-N 0 0 222.291 3.672 10 30 BHEERN CCCCCCCC(OCC)OCC ZINC000001600490 342705487 /nfs/dbraw/zinc/70/54/87/342705487.db2.gz BRKIPAWFUDCCOO-UHFFFAOYSA-N 0 0 202.338 3.746 10 30 BHEERN N#Cc1cccc2c1Nc1ccccc1S2 ZINC000001632600 181144145 /nfs/dbraw/zinc/14/41/45/181144145.db2.gz IROHXUWSUOCLQI-UHFFFAOYSA-N 0 0 224.288 3.766 10 30 BHEERN N#Cc1cccc2c1Sc1ccccc1N2 ZINC000001642061 181144285 /nfs/dbraw/zinc/14/42/85/181144285.db2.gz DRIWXTSESHVHDY-UHFFFAOYSA-N 0 0 224.288 3.766 10 30 BHEERN COc1ccc(/C=C2\CCCCCC2=O)cc1 ZINC000001651680 175048383 /nfs/dbraw/zinc/04/83/83/175048383.db2.gz XKNSEAKHAWMCQK-ACCUITESSA-N 0 0 230.307 3.612 10 30 BHEERN CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1C ZINC000001713194 560184253 /nfs/dbraw/zinc/18/42/53/560184253.db2.gz ABSPRNADVQNDOU-UHFFFAOYSA-N 0 0 240.302 3.738 10 30 in-vitro BHEERN ClC(Cl)=Nc1ccc(Cl)cc1 ZINC000001841029 356953384 /nfs/dbraw/zinc/95/33/84/356953384.db2.gz ZPOLQMXMBYFIFW-UHFFFAOYSA-N 0 0 208.475 3.805 10 30 BHEERN C=CCOC(=O)CCCCC1CCCCC1 ZINC000001850808 386652038 /nfs/dbraw/zinc/65/20/38/386652038.db2.gz NDXGAVFJHHVIQN-UHFFFAOYSA-N 0 0 224.344 3.856 10 30 endogenous,in-man BHEERN C=C(C)c1cc2c(ccc3ccc(=O)oc23)o1 ZINC000001995170 188226008 /nfs/dbraw/zinc/22/60/08/188226008.db2.gz FQCPXIJRWHRHIP-UHFFFAOYSA-N 0 0 226.231 3.572 10 30 endogenous,in-man BHEERN C(#CCCC1CCCCC1)CCc1c[nH]cn1 ZINC000002001873 166225251 /nfs/dbraw/zinc/22/52/51/166225251.db2.gz LATXTZVCBBIDBM-UHFFFAOYSA-N 0 0 230.355 3.706 10 30 in-vivo BHEERN CC(C)=CC(=O)C1=C(c2ccoc2)CC[C@@H]1C ZINC000002007582 560185430 /nfs/dbraw/zinc/18/54/30/560185430.db2.gz UFRHZDWJDMQBIC-NSHDSACASA-N 0 0 230.307 3.998 10 30 in-vitro BHEERN CCC(C)(C)c1ccc(C[C@H](C)C=O)cc1 ZINC000002046160 387509065 /nfs/dbraw/zinc/50/90/65/387509065.db2.gz YEDZFQXXPSYBGE-LBPRGKRZSA-N 0 0 218.340 3.752 10 30 BHEERN Clc1ccccc1/N=C/c1ccco1 ZINC000002163860 180594395 /nfs/dbraw/zinc/59/43/95/180594395.db2.gz BDWOWJOEFZFPHL-MDWZMJQESA-N 0 0 205.644 3.684 10 30 BHEERN CSc1ccc(C#Cc2ccccc2)cc1 ZINC000002245504 355888629 /nfs/dbraw/zinc/88/86/29/355888629.db2.gz MGDAZGZNODVOKM-UHFFFAOYSA-N 0 0 224.328 3.808 10 30 BHEERN C=C(C)C(=O)OCCc1cccc2ccccc21 ZINC000002379155 188226298 /nfs/dbraw/zinc/22/62/98/188226298.db2.gz ZOGKWQDNFUFFKI-UHFFFAOYSA-N 0 0 240.302 3.502 10 30 in-vitro BHEERN CCCCCCC#Cc1ccc(C#N)cc1 ZINC000002383420 383961292 /nfs/dbraw/zinc/96/12/92/383961292.db2.gz NZAFXMNWVHJORA-UHFFFAOYSA-N 0 0 211.308 3.880 10 30 BHEERN CC1=CCCC(C)(C)[C@H]1/C=C/[C@H](C)C=O ZINC000002384637 346509016 /nfs/dbraw/zinc/50/90/16/346509016.db2.gz AISADLWIINCFJS-DDOQPMFUSA-N 0 0 206.329 3.760 10 30 BHEERN N#Cc1ccc(-c2ccc(Cl)cc2)s1 ZINC000002385702 181095364 /nfs/dbraw/zinc/09/53/64/181095364.db2.gz GKYNCMIPNRWWKN-UHFFFAOYSA-N 0 0 219.696 3.940 10 30 BHEERN Oc1ccc(Cl)cc1/C=N\c1ccccc1 ZINC000002391024 183273922 /nfs/dbraw/zinc/27/39/22/183273922.db2.gz USHSXCMBQPJHEF-DHDCSXOGSA-N 0 0 231.682 3.796 10 30 BHEERN Fc1ccccc1C#Cc1ccnc2ccccc12 ZINC000002483310 181009880 /nfs/dbraw/zinc/00/98/80/181009880.db2.gz DFOJHXNUJZXBBU-UHFFFAOYSA-N 0 0 247.272 3.774 10 30 BHEERN C=C(CCC#N)[C@@H]1CC(C)(C)[C@H]1CCC(C)=O ZINC000002512383 188455703 /nfs/dbraw/zinc/45/57/03/188455703.db2.gz RVBKTOCMDDHDAM-KBPBESRZSA-N 0 0 233.355 3.878 10 30 BHEERN O=CCCCc1ccc(-c2ccccc2)cc1 ZINC000002525143 383970446 /nfs/dbraw/zinc/97/04/46/383970446.db2.gz LWDLIPCWARWGPH-UHFFFAOYSA-N 0 0 224.303 3.875 10 30 BHEERN CC1(C)OC1(c1ccccc1)c1ccccc1 ZINC000002557695 383973928 /nfs/dbraw/zinc/97/39/28/383973928.db2.gz WYQZQKVQBQLNDY-UHFFFAOYSA-N 0 0 224.303 3.739 10 30 BHEERN C=CCCCCCCCCOC(=O)CC ZINC000002559064 345790171 /nfs/dbraw/zinc/79/01/71/345790171.db2.gz HAZMLFDAVHDYKJ-UHFFFAOYSA-N 0 0 212.333 3.856 10 30 BHEERN CCCCCCCCNC(=O)[C@H]1CC1(C)C ZINC000002559191 371583792 /nfs/dbraw/zinc/58/37/92/371583792.db2.gz KHKNSSJZBOOSGN-GFCCVEGCSA-N 0 0 225.376 3.509 10 30 BHEERN FC(F)(F)C(=Nc1ccccc1)C(F)(F)F ZINC000002565616 368845659 /nfs/dbraw/zinc/84/56/59/368845659.db2.gz WAOPHCHEIBALCR-UHFFFAOYSA-N 0 0 241.134 3.884 10 30 BHEERN CCCCCCCCCCCOC[C@@H]1CO1 ZINC000002570020 168650723 /nfs/dbraw/zinc/65/07/23/168650723.db2.gz HNJSJLKMMRCGKX-CQSZACIVSA-N 0 0 228.376 3.933 10 30 BHEERN C=C(CCC#N)[C@H]1CC(C)(C)[C@@H]1CCC(C)=O ZINC000002570416 188100899 /nfs/dbraw/zinc/10/08/99/188100899.db2.gz RVBKTOCMDDHDAM-ZIAGYGMSSA-N 0 0 233.355 3.878 10 30 BHEERN C=C(C)C(=O)OCC[C@@H](C)CC(C)(C)C ZINC000002572027 358976174 /nfs/dbraw/zinc/97/61/74/358976174.db2.gz BBPSWYWJFWHIHC-LLVKDONJSA-N 0 0 212.333 3.568 10 30 BHEERN CCCCCCCC[C@H](C)C(=O)OC ZINC000002578923 346199722 /nfs/dbraw/zinc/19/97/22/346199722.db2.gz ZWSMRUGTQTWTII-NSHDSACASA-N 0 0 200.322 3.546 10 30 BHEERN CCN(CC)c1ccc(C#Cc2ccccc2)cc1 ZINC000003101832 187254860 /nfs/dbraw/zinc/25/48/60/187254860.db2.gz HOXAJQRYLBKKQY-UHFFFAOYSA-N 0 0 249.357 3.933 10 30 BHEERN Cc1ccc(/N=C/c2cccc(C#N)c2)cc1 ZINC000003106552 178360174 /nfs/dbraw/zinc/36/01/74/178360174.db2.gz TYRNAAFGUVLKQK-GZTJUZNOSA-N 0 0 220.275 3.617 10 30 BHEERN Cc1ccccc1/C=N/c1ccc(C#N)cc1 ZINC000003110037 179245044 /nfs/dbraw/zinc/24/50/44/179245044.db2.gz JXPLOYWMWGQMSL-GZTJUZNOSA-N 0 0 220.275 3.617 10 30 BHEERN CCCCCCCCNC(=O)[C@@H]1CC1(C)C ZINC000003129026 371880793 /nfs/dbraw/zinc/88/07/93/371880793.db2.gz KHKNSSJZBOOSGN-LBPRGKRZSA-N 0 0 225.376 3.509 10 30 BHEERN N#CC1(Sc2ccccc2)CCCC1 ZINC000003604952 181030521 /nfs/dbraw/zinc/03/05/21/181030521.db2.gz HKQLCKBRPRLZLY-UHFFFAOYSA-N 0 0 203.310 3.615 10 30 BHEERN C=CCN1Cc2ccccc2Cc2ccccc2C1 ZINC000003631293 358510426 /nfs/dbraw/zinc/51/04/26/358510426.db2.gz VPUMUQABHHZXLE-UHFFFAOYSA-N 0 0 249.357 3.779 10 30 BHEERN N#Cc1c(O)c2ccccc2c2ccccc12 ZINC000003650474 188101513 /nfs/dbraw/zinc/10/15/13/188101513.db2.gz UNCXGIQTDMNYMU-UHFFFAOYSA-N 0 0 219.243 3.570 10 30 BHEERN C[C@@H]1CC2=CC(=O)CCN2c2ccc(Cl)cc21 ZINC000003963468 132316130 /nfs/dbraw/zinc/31/61/30/132316130.db2.gz UXLGYJWIWHMDNY-SECBINFHSA-N 0 0 247.725 3.510 10 30 BHEERN C=C1CCC(=O)[C@H](C)CC[C@@H]2[C@H]1CC2(C)C ZINC000003978615 560192743 /nfs/dbraw/zinc/19/27/43/560192743.db2.gz GWBJPNAWYMBRLQ-FRRDWIJNSA-N 0 0 220.356 3.984 10 30 in-vitro BHEERN C=C1CCC(=O)[C@H](C)CC[C@H]2[C@H]1CC2(C)C ZINC000003978617 560192739 /nfs/dbraw/zinc/19/27/39/560192739.db2.gz GWBJPNAWYMBRLQ-AGIUHOORSA-N 0 0 220.356 3.984 10 30 in-vitro BHEERN Cc1ccccc1NC1(C#N)CCCCC1 ZINC000004059281 179303288 /nfs/dbraw/zinc/30/32/88/179303288.db2.gz VSUJOUPJXSTZNH-UHFFFAOYSA-N 0 0 214.312 3.633 10 30 BHEERN C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C ZINC000004098308 571686129 /nfs/dbraw/zinc/68/61/29/571686129.db2.gz FGCUSSRGQNHZRW-UMVBOHGHSA-N 0 0 218.340 3.904 10 30 endogenous,in-man BHEERN C=CCc1ccccc1Oc1ccc(N)cc1 ZINC000004227347 188052112 /nfs/dbraw/zinc/05/21/12/188052112.db2.gz UOQKXZGMXXETPV-UHFFFAOYSA-N 0 0 225.291 3.790 10 30 BHEERN CCN(CC)c1ccc(/C=C2\CCCC2=O)cc1 ZINC000004228053 169803532 /nfs/dbraw/zinc/80/35/32/169803532.db2.gz YPWDVLFNMLRPFP-WYMLVPIESA-N 0 0 243.350 3.669 10 30 BHEERN Cc1ccc(N=C2C=C(C)C(=O)C(C)=C2)cc1 ZINC000004269587 168091304 /nfs/dbraw/zinc/09/13/04/168091304.db2.gz GGDFEZIGYNLDND-UHFFFAOYSA-N 0 0 225.291 3.543 10 30 BHEERN C=C(CCC#N)[C@@H]1CC(C)(C)[C@@H]1CCC(C)=O ZINC000004277158 397923543 /nfs/dbraw/zinc/92/35/43/397923543.db2.gz RVBKTOCMDDHDAM-UONOGXRCSA-N 0 0 233.355 3.878 10 30 BHEERN C=C(CCC#N)[C@H]1CC(C)(C)[C@H]1CCC(C)=O ZINC000004277159 397923499 /nfs/dbraw/zinc/92/34/99/397923499.db2.gz RVBKTOCMDDHDAM-KGLIPLIRSA-N 0 0 233.355 3.878 10 30 BHEERN CSc1scc2c1/C(=N/O)CC(C)(C)C2 ZINC000004284554 342746013 /nfs/dbraw/zinc/74/60/13/342746013.db2.gz MSRIAXHKDICKTA-XYOKQWHBSA-N 0 0 241.381 3.621 10 30 BHEERN CC1(C)[C@H]2C[C@@H]1C(=O)/C(=C\c1ccccc1)C2 ZINC000004344464 168002569 /nfs/dbraw/zinc/00/25/69/168002569.db2.gz NKWTXASMNZHMLU-GJQIVEAUSA-N 0 0 226.319 3.705 10 30 BHEERN CCCSC(=NC)Nc1ccc(C)cc1C ZINC000004347937 169334783 /nfs/dbraw/zinc/33/47/83/169334783.db2.gz KPUVPIZXFSQEDP-UHFFFAOYSA-N 0 0 236.384 3.844 10 30 BHEERN C=CCCCCC/C=C\CC#CC#CC(=O)C=C ZINC000004642619 290785765 /nfs/dbraw/zinc/78/57/65/290785765.db2.gz HLHBDMWPPKHNDQ-KHPPLWFESA-N 0 0 240.346 3.831 10 30 biogenic,in-vitro BHEERN O/N=C\C(=C(/Cl)C(F)(F)F)c1ccccc1 ZINC000004695346 384076200 /nfs/dbraw/zinc/07/62/00/384076200.db2.gz ADLJYFYSDNWAMU-PVKVHURSSA-N 0 0 249.619 3.659 10 30 BHEERN CC1(C)[C@@H]2C[C@H]1C(=O)/C(=C\c1ccccc1)C2 ZINC000004696930 168009912 /nfs/dbraw/zinc/00/99/12/168009912.db2.gz NKWTXASMNZHMLU-KGKULNKVSA-N 0 0 226.319 3.705 10 30 BHEERN COc1ccc(C(C)=NNc2ccccc2)cc1 ZINC000004759318 175046040 /nfs/dbraw/zinc/04/60/40/175046040.db2.gz GBWYSVKAUZHKNN-VBKFSLOCSA-N 0 0 240.306 3.531 10 30 BHEERN N#Cc1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000004822203 181125541 /nfs/dbraw/zinc/12/55/41/181125541.db2.gz UFCKWJSAGVJKDC-MRXNPFEDSA-N 0 0 234.302 3.658 10 30 BHEERN Clc1ccccc1NN=Cc1ccccc1 ZINC000004886761 342753966 /nfs/dbraw/zinc/75/39/66/342753966.db2.gz XXTTWPKPCRYKNU-XNTDXEJSSA-N 0 0 230.698 3.786 10 30 BHEERN CC(=NNc1ccc(Cl)cc1)c1ccncc1 ZINC000004922493 187247887 /nfs/dbraw/zinc/24/78/87/187247887.db2.gz IPSWVQZNJAEOMA-MHWRWJLKSA-N 0 0 245.713 3.571 10 30 BHEERN Cc1ccc(C=NNc2cccc(C)c2)s1 ZINC000004926700 179121205 /nfs/dbraw/zinc/12/12/05/179121205.db2.gz WPGYLMMSLJDLCO-NTEUORMPSA-N 0 0 230.336 3.811 10 30 BHEERN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccsc1 ZINC000004947837 178271563 /nfs/dbraw/zinc/27/15/63/178271563.db2.gz OFLBHABZJPTPGO-NTUHNPAUSA-N 0 0 246.291 3.715 10 30 BHEERN O=[N+]([O-])c1ccc(N=NCC2CCCCC2)cc1 ZINC000005018041 182933944 /nfs/dbraw/zinc/93/39/44/182933944.db2.gz YKTUJYQQMTVDMB-GXDHUFHOSA-N 0 0 247.298 3.573 10 30 BHEERN Cc1ccc(C=NNc2ccc(F)cc2)s1 ZINC000005019380 178357885 /nfs/dbraw/zinc/35/78/85/178357885.db2.gz RDKYNQLPRQCFHI-RIYZIHGNSA-N 0 0 234.299 3.642 10 30 BHEERN CC(=NNc1cccc(Cl)c1)c1ccncc1 ZINC000005020179 188276424 /nfs/dbraw/zinc/27/64/24/188276424.db2.gz ULAZSTNKHZVAKT-MHWRWJLKSA-N 0 0 245.713 3.571 10 30 BHEERN c1ccc2[nH]c(N=NCC3CCCCC3)nc2c1 ZINC000005070903 166229439 /nfs/dbraw/zinc/22/94/39/166229439.db2.gz SMWMWPMXBMSTCX-XNTDXEJSSA-N 0 0 242.326 3.541 10 30 BHEERN N#CC(C1CC1)(C1CC1)C(C#N)(C1CC1)C1CC1 ZINC000005133471 181027974 /nfs/dbraw/zinc/02/79/74/181027974.db2.gz YJJFFDGLUZTUKN-UHFFFAOYSA-N 0 0 240.350 3.646 10 30 BHEERN C=CCC1(CC=C)OC1(CC=C)CC=C ZINC000005157624 188224999 /nfs/dbraw/zinc/22/49/99/188224999.db2.gz DPRYWFZTIZNBKU-UHFFFAOYSA-N 0 0 204.313 3.799 10 30 BHEERN C#Cc1ccc(-c2ccc(C#CC)s2)s1 ZINC000005158122 571688042 /nfs/dbraw/zinc/68/80/42/571688042.db2.gz DZJGBWIIRBMCFS-UHFFFAOYSA-N 0 0 228.341 3.829 10 30 endogenous,in-man BHEERN C=C(C)C(=O)OC1CCC(C(C)(C)C)CC1 ZINC000005158176 187711497 /nfs/dbraw/zinc/71/14/97/187711497.db2.gz PILKNUBLAZTESB-UHFFFAOYSA-N 0 0 224.344 3.711 10 30 BHEERN C=C[C@]1(C)CC[C@@H](C(C)(C)O)C[C@H]1C(=C)C ZINC000005158354 355355900 /nfs/dbraw/zinc/35/59/00/355355900.db2.gz GFJIQNADMLPFOW-VNHYZAJKSA-N 0 0 222.372 3.942 10 30 biogenic,in-vitro BHEERN C=C1CC[C@@H]2O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C ZINC000005224268 187709991 /nfs/dbraw/zinc/70/99/91/187709991.db2.gz NVEQFIOZRFFVFW-ABHRYQDASA-N 0 0 220.356 3.936 10 30 endogenous,in-man BHEERN CCC(=NNc1ccccc1)c1ccc(O)cc1 ZINC000005231323 167819899 /nfs/dbraw/zinc/81/98/99/167819899.db2.gz KPOKRINJMCDDMX-BMRADRMJSA-N 0 0 240.306 3.618 10 30 BHEERN C=C(C)Nc1cccc(NC(C)C)c1N=O ZINC000005260930 355355381 /nfs/dbraw/zinc/35/53/81/355355381.db2.gz ADMZHNHYPHGDAB-UHFFFAOYSA-N 0 0 219.288 3.850 10 30 BHEERN C=C[C@@H](C1CCCCC1)n1nnc2ccccc21 ZINC000005283220 188052305 /nfs/dbraw/zinc/05/23/05/188052305.db2.gz ZZWYGGMLCFOUNE-AWEZNQCLSA-N 0 0 241.338 3.739 10 30 BHEERN C=C[C@H](C1CCCCC1)n1nnc2ccccc21 ZINC000005283231 188225123 /nfs/dbraw/zinc/22/51/23/188225123.db2.gz ZZWYGGMLCFOUNE-CQSZACIVSA-N 0 0 241.338 3.739 10 30 BHEERN C#C[C@H](CCCCCC)n1nnc2ccccc21 ZINC000005308612 166218900 /nfs/dbraw/zinc/21/89/00/166218900.db2.gz VSLBDWKBLMFCSY-CYBMUJFWSA-N 0 0 241.338 3.576 10 30 BHEERN C#C[C@@H](CCCCCC)n1nnc2ccccc21 ZINC000005308674 166212441 /nfs/dbraw/zinc/21/24/41/166212441.db2.gz VSLBDWKBLMFCSY-ZDUSSCGKSA-N 0 0 241.338 3.576 10 30 BHEERN Cn1cc(/C=N/c2ccccc2)c2ccccc21 ZINC000005331228 180629557 /nfs/dbraw/zinc/62/95/57/180629557.db2.gz GIOXBNFLDWJEHU-GZTJUZNOSA-N 0 0 234.302 3.929 10 30 BHEERN Cc1ccc([C@H](O)[C@H](S)c2ccccc2)cc1 ZINC000005332499 178916555 /nfs/dbraw/zinc/91/65/55/178916555.db2.gz VTYAWIKPASXDKN-LSDHHAIUSA-N 0 0 244.359 3.700 10 30 BHEERN Cc1ccc([C@@H](O)[C@H](S)c2ccccc2)cc1 ZINC000005332503 178869384 /nfs/dbraw/zinc/86/93/84/178869384.db2.gz VTYAWIKPASXDKN-HUUCEWRRSA-N 0 0 244.359 3.700 10 30 BHEERN Cc1ccc(NN=Cc2ccc(F)cc2)cc1 ZINC000005339582 178711316 /nfs/dbraw/zinc/71/13/16/178711316.db2.gz JSPIRECJESCWTJ-MHWRWJLKSA-N 0 0 228.270 3.580 10 30 BHEERN C=C1CCC(C(C)C)=C[C@H]2[C@@H]1CC[C@@]2(C)O ZINC000005359857 560201393 /nfs/dbraw/zinc/20/13/93/560201393.db2.gz BUPJOLXWQXEJSQ-QLFBSQMISA-N 0 0 220.356 3.696 10 30 in-vitro BHEERN Cc1ccc(C)c(CC2=CC(=O)CCC2)c1 ZINC000005379915 188520125 /nfs/dbraw/zinc/52/01/25/188520125.db2.gz MVUCPONWADFSDR-UHFFFAOYSA-N 0 0 214.308 3.525 10 30 BHEERN C=C(c1ccc(F)cc1)[C@@H]1CCCC(=O)C1 ZINC000005382705 188052159 /nfs/dbraw/zinc/05/21/59/188052159.db2.gz RZRJIYDQADQUNB-GFCCVEGCSA-N 0 0 218.271 3.598 10 30 BHEERN Cc1ccc2c(C)cc(SCC#N)nc2c1C ZINC000005589388 346267138 /nfs/dbraw/zinc/26/71/38/346267138.db2.gz UTGGLKXXODTHOT-UHFFFAOYSA-N 0 0 242.347 3.776 10 30 BHEERN CC(=C\c1ccccc1Cl)/C(C)=N/O ZINC000005725151 188277504 /nfs/dbraw/zinc/27/75/04/188277504.db2.gz AUJNOKKEDZDXHD-NJHPPEEMSA-N 0 0 209.676 3.593 10 30 BHEERN C=C[C@@]1(C)CC[C@@H]([C@H](C)C(=O)CC=C(C)C)O1 ZINC000005735379 188450844 /nfs/dbraw/zinc/45/08/44/188450844.db2.gz FJKKZNIYYVEYOL-SNPRPXQTSA-N 0 0 236.355 3.672 10 30 endogenous,in-man BHEERN Cc1ccc(/C(=N/O)c2ccccc2)cc1C ZINC000005746824 178350609 /nfs/dbraw/zinc/35/06/09/178350609.db2.gz JBFRSULLPBRHSX-FOCLMDBBSA-N 0 0 225.291 3.530 10 30 BHEERN CC(C)CCCCCCCOCCC#N ZINC000005758276 166800528 /nfs/dbraw/zinc/80/05/28/166800528.db2.gz XDCQMQXLBGPTHH-UHFFFAOYSA-N 0 0 211.349 3.913 10 30 BHEERN CC1=CCCC(C)(C)[C@H]1/C=C/[C@@H](C)C=O ZINC000005766977 349129329 /nfs/dbraw/zinc/12/93/29/349129329.db2.gz AISADLWIINCFJS-HOVLTTNMSA-N 0 0 206.329 3.760 10 30 BHEERN CC1=CCCC(C)(C)[C@H]1CC[C@H](C)C=O ZINC000005767007 187248644 /nfs/dbraw/zinc/24/86/44/187248644.db2.gz VDBFZEMBBKEKPI-AAEUAGOBSA-N 0 0 208.345 3.984 10 30 BHEERN Clc1cccc(NN=Cc2ccccc2)c1 ZINC000005772498 180591161 /nfs/dbraw/zinc/59/11/61/180591161.db2.gz GZZYOYAUOJLPOX-XNTDXEJSSA-N 0 0 230.698 3.786 10 30 BHEERN CCC/C=C/C=N\c1ccccc1C(=O)OC ZINC000005819401 384133476 /nfs/dbraw/zinc/13/34/76/384133476.db2.gz IGAVEPCBGZDTJY-MHMFOBEZSA-N 0 0 231.295 3.532 10 30 BHEERN C#C[C@](C)(CCC=C(C)C)O[C@H](C)OCC ZINC000005860760 386818846 /nfs/dbraw/zinc/81/88/46/386818846.db2.gz CGENMIVCMHPWGS-ZIAGYGMSSA-N 0 0 224.344 3.524 10 30 BHEERN C#C[C@@](C)(CCC=C(C)C)O[C@H](C)OCC ZINC000005860773 166214103 /nfs/dbraw/zinc/21/41/03/166214103.db2.gz CGENMIVCMHPWGS-KGLIPLIRSA-N 0 0 224.344 3.524 10 30 BHEERN C#C[C@](C)(CCC=C(C)C)O[C@@H](C)OCC ZINC000005861257 188225306 /nfs/dbraw/zinc/22/53/06/188225306.db2.gz CGENMIVCMHPWGS-UONOGXRCSA-N 0 0 224.344 3.524 10 30 BHEERN C#C[C@@](C)(CCC=C(C)C)O[C@@H](C)OCC ZINC000005861273 166213461 /nfs/dbraw/zinc/21/34/61/166213461.db2.gz CGENMIVCMHPWGS-KBPBESRZSA-N 0 0 224.344 3.524 10 30 BHEERN N#Cc1ccc(Sc2ccccc2)cc1 ZINC000005874237 188337720 /nfs/dbraw/zinc/33/77/20/188337720.db2.gz BPUORBVHZGHTPR-UHFFFAOYSA-N 0 0 211.289 3.709 10 30 BHEERN CC(C)Oc1ccc(C2(C#N)CCCC2)cc1 ZINC000005910746 167292386 /nfs/dbraw/zinc/29/23/86/167292386.db2.gz UHAGIRQIVMCOIK-UHFFFAOYSA-N 0 0 229.323 3.809 10 30 BHEERN Cc1ccc(Sc2cccc(N)c2C#N)cc1 ZINC000005930943 386610295 /nfs/dbraw/zinc/61/02/95/386610295.db2.gz NLGYCJNCIXKPHK-UHFFFAOYSA-N 0 0 240.331 3.600 10 30 in-vivo BHEERN Cc1ccccc1Sc1cccc(N)c1C#N ZINC000005931405 179315985 /nfs/dbraw/zinc/31/59/85/179315985.db2.gz MYAVGTHDTCNUCG-UHFFFAOYSA-N 0 0 240.331 3.600 10 30 BHEERN Cc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000005942976 179175537 /nfs/dbraw/zinc/17/55/37/179175537.db2.gz AZJJHSHVTVBFLS-UHFFFAOYSA-N 0 0 209.248 3.659 10 30 BHEERN CCCCC#CCSc1ccccc1O ZINC000005972928 384139842 /nfs/dbraw/zinc/13/98/42/384139842.db2.gz TYUMHLYBQBYJTB-UHFFFAOYSA-N 0 0 220.337 3.678 10 30 BHEERN C[C@@H](C#N)c1ccc(C(=O)c2cccs2)cc1 ZINC000006020008 342772755 /nfs/dbraw/zinc/77/27/55/342772755.db2.gz OFGUULGKDTVNML-JTQLQIEISA-N 0 0 241.315 3.606 10 30 BHEERN C=C[C@@H](C)CC(=O)C1=CCCC(C)(C)C1 ZINC000006020358 342772711 /nfs/dbraw/zinc/77/27/11/342772711.db2.gz UUQUGOSCTSPPIO-LLVKDONJSA-N 0 0 206.329 3.904 10 30 BHEERN C=C(C)C(=O)OCC[C@H](C)CC(C)(C)C ZINC000006020627 351380978 /nfs/dbraw/zinc/38/09/78/351380978.db2.gz BBPSWYWJFWHIHC-NSHDSACASA-N 0 0 212.333 3.568 10 30 BHEERN C=C(C)[C@@H]1CC[C@]2(C1)C(C)=CC(=O)C[C@H]2C ZINC000006030645 574412676 /nfs/dbraw/zinc/41/26/76/574412676.db2.gz FGCUSSRGQNHZRW-NFAWXSAZSA-N 0 0 218.340 3.904 10 30 endogenous,in-man BHEERN C=C(C)[C@@H]1CCC2=C[C@@H](O)C[C@@H](C)[C@]2(C)C1 ZINC000006031334 571691254 /nfs/dbraw/zinc/69/12/54/571691254.db2.gz GFNWRKNVTHDNPV-UXOAXIEHSA-N 0 0 220.356 3.696 10 30 endogenous,in-man BHEERN C[C@H](C#N)c1ccc(C(=O)c2cccs2)cc1 ZINC000006032426 342772875 /nfs/dbraw/zinc/77/28/75/342772875.db2.gz OFGUULGKDTVNML-SNVBAGLBSA-N 0 0 241.315 3.606 10 30 BHEERN C=C[C@H](C)CC(=O)C1=CCCC(C)(C)C1 ZINC000006036087 384142772 /nfs/dbraw/zinc/14/27/72/384142772.db2.gz UUQUGOSCTSPPIO-NSHDSACASA-N 0 0 206.329 3.904 10 30 BHEERN CC1=C2CC[C@H](C)C[C@H]2[C@@H](C(C)C)CC1=O ZINC000006037448 168091644 /nfs/dbraw/zinc/09/16/44/168091644.db2.gz BAXDUIVVBWNUFA-ZLKJLUDKSA-N 0 0 220.356 3.984 10 30 BHEERN CC1=C2CC[C@H](C)C[C@H]2[C@H](C(C)C)CC1=O ZINC000006037449 168090882 /nfs/dbraw/zinc/09/08/82/168090882.db2.gz BAXDUIVVBWNUFA-LEWSCRJBSA-N 0 0 220.356 3.984 10 30 BHEERN CC1=CC[C@]2(CC1=O)[C@@H](C)CC[C@H]2C(C)C ZINC000006037738 168122255 /nfs/dbraw/zinc/12/22/55/168122255.db2.gz HBTHUBMUAHAWBC-YDHLFZDLSA-N 0 0 220.356 3.984 10 30 endogenous,in-man BHEERN C=C(C)c1ccc(C)c2ccc(CO)c-2c1 ZINC000006070772 571690932 /nfs/dbraw/zinc/69/09/32/571690932.db2.gz UELYVRHCROBZCL-UHFFFAOYSA-N 0 0 212.292 3.625 10 30 endogenous,in-man BHEERN N#CCc1c(Cl)cc(Cl)cc1Cl ZINC000006091201 342773575 /nfs/dbraw/zinc/77/35/75/342773575.db2.gz KQWHNBIYSHFRLC-UHFFFAOYSA-N 0 0 220.486 3.713 10 30 BHEERN Fc1ccccc1C=NNc1ccc(Cl)cc1 ZINC000006495644 256803724 /nfs/dbraw/zinc/80/37/24/256803724.db2.gz YETYUTWFQGVPKZ-CXUHLZMHSA-N 0 0 248.688 3.925 10 30 BHEERN Oc1ccc(/N=C/CCc2ccccc2)cc1 ZINC000006508333 183268016 /nfs/dbraw/zinc/26/80/16/183268016.db2.gz JZLDGAOTHYDDOJ-FOWTUZBSSA-N 0 0 225.291 3.727 10 30 BHEERN C(=NNc1ccncc1)c1cccc2ccccc12 ZINC000006829885 166229694 /nfs/dbraw/zinc/22/96/94/166229694.db2.gz QAQMWNUVIGEHRW-LDADJPATSA-N 0 0 247.301 3.681 10 30 BHEERN N#Cc1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000006863129 345956784 /nfs/dbraw/zinc/95/67/84/345956784.db2.gz CGBXAIBNWYOGMZ-UHFFFAOYSA-N 0 0 218.259 3.707 10 30 BHEERN N#Cc1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000006863176 181094893 /nfs/dbraw/zinc/09/48/93/181094893.db2.gz POHRJJCEWJUVEY-UHFFFAOYSA-N 0 0 218.259 3.707 10 30 BHEERN Cc1ccccc1NN=Cc1cccc(F)c1 ZINC000007892183 179296692 /nfs/dbraw/zinc/29/66/92/179296692.db2.gz TUZAPWKFXCGFNJ-MHWRWJLKSA-N 0 0 228.270 3.580 10 30 BHEERN Cc1ccc(C=NNc2ccccc2C)cc1 ZINC000007892203 178357073 /nfs/dbraw/zinc/35/70/73/178357073.db2.gz CYDOLQYTCGTMFU-LFIBNONCSA-N 0 0 224.307 3.749 10 30 BHEERN Cc1ccc(-c2cc(C)c(C#N)c(Cl)n2)cc1 ZINC000009280530 178318590 /nfs/dbraw/zinc/31/85/90/178318590.db2.gz VBMUPVWQJDJINA-UHFFFAOYSA-N 0 0 242.709 3.891 10 30 BHEERN Cc1cc(-c2ccc(F)cc2)nc(Cl)c1C#N ZINC000009280532 370441155 /nfs/dbraw/zinc/44/11/55/370441155.db2.gz VJICUXZBAOMUCC-UHFFFAOYSA-N 0 0 246.672 3.721 10 30 BHEERN Cc1ccc(-c2cc(C)c(C#N)c(Cl)n2)s1 ZINC000009280544 178319619 /nfs/dbraw/zinc/31/96/19/178319619.db2.gz FIHPCQUGXRJHQK-UHFFFAOYSA-N 0 0 248.738 3.952 10 30 BHEERN Cc1ccc(-c2ccc(OCCC=O)cc2)cc1 ZINC000011569695 178325440 /nfs/dbraw/zinc/32/54/40/178325440.db2.gz JJHFULUYAZFHHI-UHFFFAOYSA-N 0 0 240.302 3.630 10 30 BHEERN CCc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000011801093 171828312 /nfs/dbraw/zinc/82/83/12/171828312.db2.gz PMFIJSIVSCKALH-UHFFFAOYSA-N 0 0 223.275 3.913 10 30 BHEERN Cn1c2ccccc2c(C#N)c1-c1ccccc1 ZINC000011805011 345018581 /nfs/dbraw/zinc/01/85/81/345018581.db2.gz LXPMDYFOLKIYAN-UHFFFAOYSA-N 0 0 232.286 3.717 10 30 BHEERN CCc1ccccc1OCc1ccccc1C#N ZINC000011834162 171891125 /nfs/dbraw/zinc/89/11/25/171891125.db2.gz MXFCRSDKCZSYHV-UHFFFAOYSA-N 0 0 237.302 3.700 10 30 BHEERN CCc1ccccc1OCc1ccc(C#N)cc1 ZINC000011834288 384747735 /nfs/dbraw/zinc/74/77/35/384747735.db2.gz LLVBJCVCLMLRSG-UHFFFAOYSA-N 0 0 237.302 3.700 10 30 BHEERN N#CCOc1c(Cl)cc(Cl)cc1Cl ZINC000011834390 187587167 /nfs/dbraw/zinc/58/71/67/187587167.db2.gz FQEHSPJYMXETLQ-UHFFFAOYSA-N 0 0 236.485 3.549 10 30 BHEERN CCC(C)(C)c1ccc(O[C@@H](C)C#N)cc1 ZINC000011834546 168305629 /nfs/dbraw/zinc/30/56/29/168305629.db2.gz USMBPADCXDMYMJ-NSHDSACASA-N 0 0 217.312 3.665 10 30 BHEERN CCC(C)(C)c1ccc(O[C@H](C)C#N)cc1 ZINC000011834547 168305529 /nfs/dbraw/zinc/30/55/29/168305529.db2.gz USMBPADCXDMYMJ-LLVKDONJSA-N 0 0 217.312 3.665 10 30 BHEERN C[C@H](C#N)Oc1ccc(-c2ccccc2)cc1 ZINC000011834574 343023590 /nfs/dbraw/zinc/02/35/90/343023590.db2.gz KGCSGMCHYASZOP-GFCCVEGCSA-N 0 0 223.275 3.644 10 30 BHEERN C[C@@H](C#N)Oc1ccc(-c2ccccc2)cc1 ZINC000011834575 175598411 /nfs/dbraw/zinc/59/84/11/175598411.db2.gz KGCSGMCHYASZOP-LBPRGKRZSA-N 0 0 223.275 3.644 10 30 BHEERN C[C@H](C#N)Oc1ccccc1-c1ccccc1 ZINC000011834598 343023734 /nfs/dbraw/zinc/02/37/34/343023734.db2.gz PCWICZJUFDHCKT-GFCCVEGCSA-N 0 0 223.275 3.644 10 30 BHEERN C[C@@H](C#N)Oc1ccccc1-c1ccccc1 ZINC000011834600 343023623 /nfs/dbraw/zinc/02/36/23/343023623.db2.gz PCWICZJUFDHCKT-LBPRGKRZSA-N 0 0 223.275 3.644 10 30 BHEERN C[C@@H](C#N)Oc1ccc(Oc2ccccc2)cc1 ZINC000011944428 175598666 /nfs/dbraw/zinc/59/86/66/175598666.db2.gz RQAYCRQJFKHJFD-LBPRGKRZSA-N 0 0 239.274 3.770 10 30 BHEERN N#Cc1c2ccccc2[nH]c1-c1cccs1 ZINC000011950547 181072852 /nfs/dbraw/zinc/07/28/52/181072852.db2.gz QSZMXVXZRWFHOV-UHFFFAOYSA-N 0 0 224.288 3.768 10 30 BHEERN N#Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000011950551 181071513 /nfs/dbraw/zinc/07/15/13/181071513.db2.gz UKTCNGNAHOKIGG-UHFFFAOYSA-N 0 0 218.259 3.707 10 30 BHEERN N#Cc1c2ccccc2[nH]c1-c1cccc(F)c1 ZINC000011950574 181071716 /nfs/dbraw/zinc/07/17/16/181071716.db2.gz OPYXLBXPKTVJSC-UHFFFAOYSA-N 0 0 236.249 3.846 10 30 BHEERN CCCOc1ccc2ccccc2c1C#N ZINC000011956658 169323586 /nfs/dbraw/zinc/32/35/86/169323586.db2.gz JDXHRCQGTDCPDV-UHFFFAOYSA-N 0 0 211.264 3.500 10 30 BHEERN Cc1cc(C)cc(Oc2ccc(C#N)cc2)c1 ZINC000011961032 370803390 /nfs/dbraw/zinc/80/33/90/370803390.db2.gz YWJWHNIUCSBDOX-UHFFFAOYSA-N 0 0 223.275 3.967 10 30 BHEERN Cc1cccc(Oc2ccc(C#N)cc2)c1C ZINC000011961584 179175749 /nfs/dbraw/zinc/17/57/49/179175749.db2.gz HPNFRUIGJGWLOU-UHFFFAOYSA-N 0 0 223.275 3.967 10 30 BHEERN C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1 ZINC000012153416 571693397 /nfs/dbraw/zinc/69/33/97/571693397.db2.gz DPQYOKVMVCQHMY-APIJFGDWSA-N 0 0 222.372 3.920 10 30 endogenous,in-man BHEERN O=C(C=Cc1ccccc1)C=Cc1ccccc1 ZINC000012358705 342849740 /nfs/dbraw/zinc/84/97/40/342849740.db2.gz WMKGGPCROCCUDY-UHFFFAOYSA-N 0 0 234.298 3.982 10 30 BHEERN CC[C@@]1(c2cccc(OC)c2)CCCC/C1=N/O ZINC000012368212 171216393 /nfs/dbraw/zinc/21/63/93/171216393.db2.gz DXQBIKXUBNQJPG-RIBQPWQFSA-N 0 0 247.338 3.747 10 30 BHEERN CC(=O)/C=C\c1c(Cl)cccc1Cl ZINC000012370858 190979190 /nfs/dbraw/zinc/97/91/90/190979190.db2.gz QUUBBGLIJLKARO-WAYWQWQTSA-N 0 0 215.079 3.596 10 30 BHEERN N#CC1(c2cccc(Cl)c2)CCCC1 ZINC000012406187 181031165 /nfs/dbraw/zinc/03/11/65/181031165.db2.gz VAJLOPYWHOVXCC-UHFFFAOYSA-N 0 0 205.688 3.675 10 30 BHEERN CC1(C)CC(=O)C=C(c2cccs2)C1 ZINC000012480424 384321687 /nfs/dbraw/zinc/32/16/87/384321687.db2.gz PMBFIRUYCVGUBT-UHFFFAOYSA-N 0 0 206.310 3.521 10 30 BHEERN CCn1c2ccccc2c2cc(/C=N\O)ccc21 ZINC000013112061 172149681 /nfs/dbraw/zinc/14/96/81/172149681.db2.gz FTCBKTWYMQRPFV-YBEGLDIGSA-N 0 0 238.290 3.623 10 30 BHEERN CC(=NNc1ccccc1)c1ccccc1 ZINC000013304788 384352118 /nfs/dbraw/zinc/35/21/18/384352118.db2.gz CPSCIFXVLXCFIQ-QINSGFPZSA-N 0 0 210.280 3.523 10 30 BHEERN C=C1CC[C@H]2C[C@H]1C(C)(C)C[C@H](O)C=C2C ZINC000013375744 188225691 /nfs/dbraw/zinc/22/56/91/188225691.db2.gz CXCWPODYESQSPM-BFHYXJOUSA-N 0 0 220.356 3.696 10 30 BHEERN CC1=CC[C@H](c2coc(CC(C)C)c2)CC1=O ZINC000013376995 560104730 /nfs/dbraw/zinc/10/47/30/560104730.db2.gz ORQIZUYAGXZVPI-LBPRGKRZSA-N 0 0 232.323 3.871 10 30 endogenous,in-man BHEERN C=C1CC/C=C(/CO)CC[C@H]2[C@H]1CC2(C)C ZINC000013383771 256649764 /nfs/dbraw/zinc/64/97/64/256649764.db2.gz MGIQTXDHQJGPEZ-DCOFTTSXSA-N 0 0 220.356 3.698 10 30 endogenous,in-man BHEERN C=C1CC/C=C(/CO)CC[C@H]2[C@@H]1CC2(C)C ZINC000013383772 256649783 /nfs/dbraw/zinc/64/97/83/256649783.db2.gz MGIQTXDHQJGPEZ-BDPFXEMMSA-N 0 0 220.356 3.698 10 30 endogenous,in-man BHEERN C=C1CC/C=C(/CO)CC[C@@H]2[C@H]1CC2(C)C ZINC000013383773 256649545 /nfs/dbraw/zinc/64/95/45/256649545.db2.gz MGIQTXDHQJGPEZ-GNZFURHMSA-N 0 0 220.356 3.698 10 30 endogenous,in-man BHEERN C=C1CC[C@@H](O)C(=C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000013383856 188436648 /nfs/dbraw/zinc/43/66/48/188436648.db2.gz CIIYOYPOMGIECX-MGPQQGTHSA-N 0 0 220.356 3.696 10 30 BHEERN CC(=O)C=C(C)Nc1ccc(C(F)(F)F)cc1 ZINC000013469143 343089378 /nfs/dbraw/zinc/08/93/78/343089378.db2.gz OHQWNQHHDXATNG-BQYQJAHWSA-N 0 0 243.228 3.610 10 30 BHEERN O=C(/C=C/c1ccncc1)c1cccc(Cl)c1 ZINC000013602126 181844673 /nfs/dbraw/zinc/84/46/73/181844673.db2.gz LGFGNSXVJDARAE-SNAWJCMRSA-N 0 0 243.693 3.631 10 30 BHEERN O=C(CCCCCCS)Nc1ccccc1 ZINC000013609304 343096587 /nfs/dbraw/zinc/09/65/87/343096587.db2.gz CFKBMXXDXYFDET-UHFFFAOYSA-N 0 0 237.368 3.505 10 30 in-vivo BHEERN C=CCc1cc(C(C)=O)c(O)cc1OCCCC ZINC000013650566 343099884 /nfs/dbraw/zinc/09/98/84/343099884.db2.gz LTLFGIKJLCOFRN-UHFFFAOYSA-N 0 0 248.322 3.502 10 30 BHEERN N#Cc1ccc2cc(-c3cccnc3)ccc2c1 ZINC000013674459 343617741 /nfs/dbraw/zinc/61/77/41/343617741.db2.gz BRNSTMOAGOETDI-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 in-vivo BHEERN CCCC#CCSc1ccccc1OC(C)=O ZINC000013782090 343103447 /nfs/dbraw/zinc/10/34/47/343103447.db2.gz MMWWBFVDWFUERO-UHFFFAOYSA-N 0 0 248.347 3.508 10 30 in-vivo BHEERN Cc1ccc2c(c1)[C@H](C)CC1=C(C)C(=O)CCN21 ZINC000013813859 132322449 /nfs/dbraw/zinc/32/24/49/132322449.db2.gz VJNBCORATKDAPO-LLVKDONJSA-N 0 0 241.334 3.555 10 30 BHEERN Cc1ccc2c(c1)[C@@H](C)CC1=C(C)C(=O)CCN21 ZINC000013813862 132322294 /nfs/dbraw/zinc/32/22/94/132322294.db2.gz VJNBCORATKDAPO-NSHDSACASA-N 0 0 241.334 3.555 10 30 BHEERN CCCC#CC#C/C=C/C=C/[C@@H](O)CCCCC ZINC000013835260 343105978 /nfs/dbraw/zinc/10/59/78/343105978.db2.gz FWOOMNCMIMPWFM-ZGRLATHUSA-N 0 0 244.378 3.847 10 30 BHEERN CC(C)=CC(=O)C[C@@H](C)c1ccc(C)cc1O ZINC000014444364 571707192 /nfs/dbraw/zinc/70/71/92/571707192.db2.gz WYIJOOQDLOBLCP-GFCCVEGCSA-N 0 0 232.323 3.730 10 30 endogenous,in-man BHEERN CC(C)=CC(=O)C[C@@H](C)c1ccc(C)c(O)c1 ZINC000014444367 571707347 /nfs/dbraw/zinc/70/73/47/571707347.db2.gz OSIFVLKZUWRNBN-GFCCVEGCSA-N 0 0 232.323 3.730 10 30 endogenous,in-man BHEERN C=C[C@](C)(O)CCCC(C)=CC(=O)C=C(C)C ZINC000014505784 560222181 /nfs/dbraw/zinc/22/21/81/560222181.db2.gz NYBCPVODSGRKRC-NRUITVPNSA-N 0 0 236.355 3.575 10 30 biogenic,in-vitro BHEERN C=C1CC[C@@H](C)C(C)(C)[C@@H]1/C=C/C(C)=O ZINC000014557316 387518751 /nfs/dbraw/zinc/51/87/51/387518751.db2.gz MVPDTCQYNRKWJA-UULPFXLMSA-N 0 0 206.329 3.760 10 30 BHEERN C=CC(C)(C)CCCc1ccc2c(c1)OCO2 ZINC000014591306 571714135 /nfs/dbraw/zinc/71/41/35/571714135.db2.gz IHMNTQCUAJQGEX-UHFFFAOYSA-N 0 0 232.323 3.950 10 30 endogenous,in-man BHEERN C=C(C)C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000014592999 367964610 /nfs/dbraw/zinc/96/46/10/367964610.db2.gz VYPRXWXGLLURNB-XQQFMLRXSA-N 0 0 224.344 3.567 10 30 BHEERN CC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)C1=O ZINC000014614791 168119747 /nfs/dbraw/zinc/11/97/47/168119747.db2.gz CKLPMBKTSOUGRK-RISCZKNCSA-N 0 0 206.329 3.738 10 30 BHEERN CC#CC#Cc1ccc(-c2cccs2)s1 ZINC000014639354 560101418 /nfs/dbraw/zinc/10/14/18/560101418.db2.gz WCCMITHHMNKYNC-UHFFFAOYSA-N 0 0 228.341 3.851 10 30 biogenic BHEERN C=C(C)[C@@H](CCC(C)=O)CC1=C(C)CCC1=O ZINC000014694264 560224574 /nfs/dbraw/zinc/22/45/74/560224574.db2.gz VALJTPGALJMVTL-ZDUSSCGKSA-N 0 0 234.339 3.617 10 30 biogenic,in-vitro BHEERN C=C(C)[C@@H]1CC[C@]2(C1)C(C)=CC(=O)C[C@@H]2C ZINC000014714039 571720885 /nfs/dbraw/zinc/72/08/85/571720885.db2.gz FGCUSSRGQNHZRW-GUTXKFCHSA-N 0 0 218.340 3.904 10 30 endogenous,in-man BHEERN C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@@H]2C ZINC000014714041 571720857 /nfs/dbraw/zinc/72/08/57/571720857.db2.gz FGCUSSRGQNHZRW-GZBFAFLISA-N 0 0 218.340 3.904 10 30 endogenous,in-man BHEERN C=C[C@](C)(O)CCC1=C(C)[C@H]2C[C@H]2C1(C)C ZINC000014859657 384510494 /nfs/dbraw/zinc/51/04/94/384510494.db2.gz WFLJLXHLEAJNDE-KYOSRNDESA-N 0 0 220.356 3.696 10 30 BHEERN CC(=O)CCC1=CCC(=C(C)C)C(=O)C[C@@H]1C ZINC000014884878 519394613 /nfs/dbraw/zinc/39/46/13/519394613.db2.gz JWUVBGKPYDWLJC-NSHDSACASA-N 0 0 234.339 3.617 10 30 biogenic,in-vitro BHEERN CC1=C2C(=O)C[C@H](C)[C@]23CC[C@@H](C3)C1(C)C ZINC000014887713 560227375 /nfs/dbraw/zinc/22/73/75/560227375.db2.gz SHUZZAXJEJPUGA-CCUNJIBTSA-N 0 0 218.340 3.738 10 30 in-vitro BHEERN [N-]=[N+]=Nc1cc(Cl)nc2ccccc12 ZINC000015022376 491096382 /nfs/dbraw/zinc/09/63/82/491096382.db2.gz GYQMOFQERVBSFX-UHFFFAOYSA-N 0 0 204.620 3.830 10 30 BHEERN C=C(Br)C[C@@H](C#N)c1ccccc1 ZINC000015042732 357338907 /nfs/dbraw/zinc/33/89/07/357338907.db2.gz PCUOXYSNHJPTSS-NSHDSACASA-N 0 0 236.112 3.592 10 30 BHEERN C=C(Br)C[C@H](C#N)c1ccccc1 ZINC000015042735 357338916 /nfs/dbraw/zinc/33/89/16/357338916.db2.gz PCUOXYSNHJPTSS-LLVKDONJSA-N 0 0 236.112 3.592 10 30 BHEERN C=C(C)[C@@H]1CC[C@H]2CC(=O)C[C@@H](C)[C@]2(C)C1 ZINC000015201148 188345078 /nfs/dbraw/zinc/34/50/78/188345078.db2.gz NMALGKNZYKRHCE-CXTNEJHOSA-N 0 0 220.356 3.984 10 30 BHEERN C=C(C)[C@@H]1CC[C@@H]2CC(=O)C[C@@H](C)[C@]2(C)C1 ZINC000015201152 188526517 /nfs/dbraw/zinc/52/65/17/188526517.db2.gz NMALGKNZYKRHCE-BHPKHCPMSA-N 0 0 220.356 3.984 10 30 BHEERN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(C)=C2C1 ZINC000015206910 571735271 /nfs/dbraw/zinc/73/52/71/571735271.db2.gz APWLDLGOYJHNIK-YUELXQCFSA-N 0 0 220.356 3.840 10 30 endogenous,in-man BHEERN C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)C(C)=C2C1 ZINC000015206916 571735156 /nfs/dbraw/zinc/73/51/56/571735156.db2.gz APWLDLGOYJHNIK-BPLDGKMQSA-N 0 0 220.356 3.840 10 30 endogenous,in-man BHEERN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 ZINC000015207084 571735290 /nfs/dbraw/zinc/73/52/90/571735290.db2.gz CZFHAODYOVXPIQ-BARDWOONSA-N 0 0 220.356 3.696 10 30 endogenous,in-man BHEERN C=C(C)[C@@H]1CC[C@]2(C)CC[C@@H](O)C(=C)[C@@H]2C1 ZINC000015207090 571735258 /nfs/dbraw/zinc/73/52/58/571735258.db2.gz CZFHAODYOVXPIQ-LXTVHRRPSA-N 0 0 220.356 3.696 10 30 endogenous,in-man BHEERN C=C1CCC[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12 ZINC000015207331 188052094 /nfs/dbraw/zinc/05/20/94/188052094.db2.gz ZTVSGQPHMUYCRS-DOMZBBRYSA-N 0 0 230.307 3.510 10 30 BHEERN C=C1CCC[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 ZINC000015207335 560229311 /nfs/dbraw/zinc/22/93/11/560229311.db2.gz ZTVSGQPHMUYCRS-WFASDCNBSA-N 0 0 230.307 3.510 10 30 biogenic,in-vitro BHEERN C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12 ZINC000015207338 560229294 /nfs/dbraw/zinc/22/92/94/560229294.db2.gz ZTVSGQPHMUYCRS-IUODEOHRSA-N 0 0 230.307 3.510 10 30 biogenic,in-vitro BHEERN C=C(C)[C@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1 ZINC000015207468 571735950 /nfs/dbraw/zinc/73/59/50/571735950.db2.gz YFZICPBAKZACEG-WFASDCNBSA-N 0 0 216.324 3.824 10 30 endogenous,in-man BHEERN C=C(C)[C@@H]1CC[C@]2(C)C=CC(=O)C(C)=C2C1 ZINC000015207470 571736040 /nfs/dbraw/zinc/73/60/40/571736040.db2.gz YFZICPBAKZACEG-IUODEOHRSA-N 0 0 216.324 3.824 10 30 endogenous,in-man BHEERN C=C(C)[C@H]1CC[C@]2(C)C=CC(=O)C(C)=C2C1 ZINC000015207473 571736105 /nfs/dbraw/zinc/73/61/05/571736105.db2.gz YFZICPBAKZACEG-SWLSCSKDSA-N 0 0 216.324 3.824 10 30 endogenous,in-man BHEERN SCc1cc(Cl)ccc1Br ZINC000015442945 183316029 /nfs/dbraw/zinc/31/60/29/183316029.db2.gz LYXWKQLBVLCGOA-UHFFFAOYSA-N 0 0 237.549 3.532 10 30 BHEERN Cl/C(=N\Cc1ccccc1)c1ccccc1 ZINC000015768208 343267908 /nfs/dbraw/zinc/26/79/08/343267908.db2.gz UIUSXFZPHSUSGX-PEZBUJJGSA-N 0 0 229.710 3.872 10 30 BHEERN O=C1C=C(Cc2ccc(Cl)cc2)CCC1 ZINC000015773482 384441664 /nfs/dbraw/zinc/44/16/64/384441664.db2.gz IWVDZNMWHIBDBH-UHFFFAOYSA-N 0 0 220.699 3.562 10 30 BHEERN CCCCCCCCCC[N+](C)(C)[O-] ZINC000016052006 385392001 /nfs/dbraw/zinc/39/20/01/385392001.db2.gz MPAAOFPXSRXQGX-UHFFFAOYSA-N 0 0 202.362 3.593 10 30 BHEERN O=C1c2ccccc2S/C1=N/c1ccccc1 ZINC000016451082 487779189 /nfs/dbraw/zinc/77/91/89/487779189.db2.gz ADPQTYQGRNTBAV-CCEZHUSRSA-N 0 0 239.299 3.705 10 30 BHEERN N#CCc1ccc(-c2cccc(F)c2)cc1 ZINC000016946559 181048200 /nfs/dbraw/zinc/04/82/00/181048200.db2.gz IHAWJUHSQNUEHG-UHFFFAOYSA-N 0 0 211.239 3.559 10 30 BHEERN Cc1ccc(-c2ccc(CC#N)cc2)cc1 ZINC000016946590 178323945 /nfs/dbraw/zinc/32/39/45/178323945.db2.gz VNDLDVFEYXXYGE-UHFFFAOYSA-N 0 0 207.276 3.728 10 30 BHEERN Cc1ccccc1-c1ccc(CC#N)cc1 ZINC000016946596 179235099 /nfs/dbraw/zinc/23/50/99/179235099.db2.gz SHKHZHXWVHDFEW-UHFFFAOYSA-N 0 0 207.276 3.728 10 30 BHEERN N#CCc1ccc(-c2ccccc2F)cc1 ZINC000016948214 181048210 /nfs/dbraw/zinc/04/82/10/181048210.db2.gz LKFJOSRBCBQILU-UHFFFAOYSA-N 0 0 211.239 3.559 10 30 BHEERN O=C1CCCC/C1=C/c1ccccc1Cl ZINC000016955875 182725131 /nfs/dbraw/zinc/72/51/31/182725131.db2.gz VHOKJFKVMITNLR-LUAWRHEFSA-N 0 0 220.699 3.867 10 30 BHEERN Fc1ccc(/N=C\c2cccs2)cc1 ZINC000017060045 342920047 /nfs/dbraw/zinc/92/00/47/342920047.db2.gz XNLBJIUTCRYNKB-JYRVWZFOSA-N 0 0 205.257 3.638 10 30 BHEERN c1ccc([C@]23C[C@@H]4CCCC[C@H]4C[C@H]2O3)cc1 ZINC000017104535 343391985 /nfs/dbraw/zinc/39/19/85/343391985.db2.gz PJKVIXWOHPVATL-WMHQRMGPSA-N 0 0 228.335 3.881 10 30 BHEERN C/C(=N\c1ccc(Cl)cc1)c1ccncc1 ZINC000017256182 187761806 /nfs/dbraw/zinc/76/18/06/187761806.db2.gz XSSPWQZOHMSJKP-MHWRWJLKSA-N 0 0 230.698 3.876 10 30 BHEERN Oc1ccc(/N=C/C=C/c2ccccc2)cc1 ZINC000017300158 183267593 /nfs/dbraw/zinc/26/75/93/183267593.db2.gz VGRRMDJXZDBXNE-JAFAMXRVSA-N 0 0 223.275 3.808 10 30 BHEERN CCO/C(=N/c1ccccc1)c1ccccc1 ZINC000017836607 520390307 /nfs/dbraw/zinc/39/03/07/520390307.db2.gz AXYNBRIVOBRYJY-FOCLMDBBSA-N 0 0 225.291 3.801 10 30 BHEERN N#CC1(N)CCCCCCCCCCC1 ZINC000019255369 181029783 /nfs/dbraw/zinc/02/97/83/181029783.db2.gz KAZRCAOXQUJRMK-UHFFFAOYSA-N 0 0 208.349 3.512 10 30 BHEERN N#CCCN(Cc1cccs1)c1ccccc1 ZINC000019423831 181037625 /nfs/dbraw/zinc/03/76/25/181037625.db2.gz BYFVNBGXSZNLDL-UHFFFAOYSA-N 0 0 242.347 3.668 10 30 BHEERN C[C@@H](OCc1ccc(C#N)cc1)c1ccccc1 ZINC000019429393 176003090 /nfs/dbraw/zinc/00/30/90/176003090.db2.gz QTYLKILZFBLVSW-CYBMUJFWSA-N 0 0 237.302 3.836 10 30 BHEERN C[C@H](OCc1ccc(C#N)cc1)c1ccccc1 ZINC000019429395 177021720 /nfs/dbraw/zinc/02/17/20/177021720.db2.gz QTYLKILZFBLVSW-ZDUSSCGKSA-N 0 0 237.302 3.836 10 30 BHEERN Cc1csc(N(CCC#N)c2ccccc2)n1 ZINC000019432452 179782635 /nfs/dbraw/zinc/78/26/35/179782635.db2.gz URRNGRNNUPAROT-UHFFFAOYSA-N 0 0 243.335 3.503 10 30 BHEERN CC(C)c1ccccc1Oc1ccc(C#N)cn1 ZINC000019432547 167645298 /nfs/dbraw/zinc/64/52/98/167645298.db2.gz UVFGYCKIWFDBDS-UHFFFAOYSA-N 0 0 238.290 3.869 10 30 BHEERN Cc1cc(C)c(-c2csc(CC#N)n2)c(C)c1 ZINC000019435716 177835315 /nfs/dbraw/zinc/83/53/15/177835315.db2.gz ZSBWQDMZYJZYMN-UHFFFAOYSA-N 0 0 242.347 3.801 10 30 BHEERN N#Cc1cnc2c(F)ccc(Cl)c2c1Cl ZINC000019470560 398313540 /nfs/dbraw/zinc/31/35/40/398313540.db2.gz LWUJRYZJTPFKRN-UHFFFAOYSA-N 0 0 241.052 3.552 10 30 BHEERN C[C@@H](OCc1cccc(C#N)c1)c1ccccc1 ZINC000019472877 176002804 /nfs/dbraw/zinc/00/28/04/176002804.db2.gz MNZGHJHDKORXFV-CYBMUJFWSA-N 0 0 237.302 3.836 10 30 BHEERN C[C@H](OCc1cccc(C#N)c1)c1ccccc1 ZINC000019472879 177022096 /nfs/dbraw/zinc/02/20/96/177022096.db2.gz MNZGHJHDKORXFV-ZDUSSCGKSA-N 0 0 237.302 3.836 10 30 BHEERN N#Cc1cnc2c(ccc3ccccc32)c1Cl ZINC000019476046 188281163 /nfs/dbraw/zinc/28/11/63/188281163.db2.gz YLEQVVRGWZOYNZ-UHFFFAOYSA-N 0 0 238.677 3.913 10 30 BHEERN Cc1sc(CC#N)nc1-c1cccc(Cl)c1 ZINC000019479176 180557128 /nfs/dbraw/zinc/55/71/28/180557128.db2.gz LVQJUMXLYXPABI-UHFFFAOYSA-N 0 0 248.738 3.838 10 30 BHEERN CC(C)c1ccccc1Oc1cc(C#N)ccn1 ZINC000019481100 167644499 /nfs/dbraw/zinc/64/44/99/167644499.db2.gz XAVMJXIWZXLBHL-UHFFFAOYSA-N 0 0 238.290 3.869 10 30 BHEERN C[C@@H](OCc1ccccc1C#N)c1ccccc1 ZINC000019509599 176003073 /nfs/dbraw/zinc/00/30/73/176003073.db2.gz ZYPJGFMDBULXKJ-CYBMUJFWSA-N 0 0 237.302 3.836 10 30 BHEERN C[C@H](OCc1ccccc1C#N)c1ccccc1 ZINC000019509601 177021737 /nfs/dbraw/zinc/02/17/37/177021737.db2.gz ZYPJGFMDBULXKJ-ZDUSSCGKSA-N 0 0 237.302 3.836 10 30 BHEERN Cc1ccc(C(C)C)c(OCCCC#N)c1 ZINC000019512692 178452242 /nfs/dbraw/zinc/45/22/42/178452242.db2.gz DIMRTSHJLPHUFN-UHFFFAOYSA-N 0 0 217.312 3.801 10 30 BHEERN Cc1cc(Cl)cc2c(Cl)c(C#N)cnc12 ZINC000019514031 342950467 /nfs/dbraw/zinc/95/04/67/342950467.db2.gz WNYKOYIGOYPSAD-UHFFFAOYSA-N 0 0 237.089 3.722 10 30 BHEERN O=CCCSc1ccc(Cl)c(Cl)c1 ZINC000019686165 538927086 /nfs/dbraw/zinc/92/70/86/538927086.db2.gz OREIKEGFUIDVKJ-UHFFFAOYSA-N 0 0 235.135 3.675 10 30 BHEERN CC(C)(C)c1ccc(SCCC=O)cc1 ZINC000019686205 538927149 /nfs/dbraw/zinc/92/71/49/538927149.db2.gz UYNFRJIGUDETQQ-UHFFFAOYSA-N 0 0 222.353 3.665 10 30 BHEERN N#Cc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000019724769 181071859 /nfs/dbraw/zinc/07/18/59/181071859.db2.gz KQZAMAXFAFJUNP-UHFFFAOYSA-N 0 0 236.249 3.846 10 30 BHEERN N#CCCN(Cc1ccccc1)c1ccccc1 ZINC000019804343 187487681 /nfs/dbraw/zinc/48/76/81/187487681.db2.gz ZTTPWPKJVSSSMW-UHFFFAOYSA-N 0 0 236.318 3.607 10 30 BHEERN Cc1cc(C)c(Nc2ncccc2C#N)c(C)c1 ZINC000019804364 177867241 /nfs/dbraw/zinc/86/72/41/177867241.db2.gz ZCWJFKFKWYBPTF-UHFFFAOYSA-N 0 0 237.306 3.622 10 30 BHEERN CCc1cccc(C)c1Nc1ncccc1C#N ZINC000019804370 171854332 /nfs/dbraw/zinc/85/43/32/171854332.db2.gz XGAGIQDIICJYHI-UHFFFAOYSA-N 0 0 237.306 3.568 10 30 BHEERN N#Cc1ccnc(Nc2cccc3ccccc32)c1 ZINC000019804374 181158443 /nfs/dbraw/zinc/15/84/43/181158443.db2.gz DEJGMKUATHSGIE-UHFFFAOYSA-N 0 0 245.285 3.850 10 30 BHEERN N#Cc1ccc(Nc2cccc3ccccc32)nc1 ZINC000019804375 187314261 /nfs/dbraw/zinc/31/42/61/187314261.db2.gz IIUZDRKZJRNWLW-UHFFFAOYSA-N 0 0 245.285 3.850 10 30 BHEERN N#Cc1cccnc1Nc1cccc2ccccc21 ZINC000019804376 181154346 /nfs/dbraw/zinc/15/43/46/181154346.db2.gz DLSUPEQDZWFRCC-UHFFFAOYSA-N 0 0 245.285 3.850 10 30 BHEERN Cc1c(Cl)cccc1Nc1cc(C#N)ccn1 ZINC000019804404 177602023 /nfs/dbraw/zinc/60/20/23/177602023.db2.gz KWCXOYORRGYMEL-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN Cc1c(Cl)cccc1Nc1ccc(C#N)cn1 ZINC000019804405 177601518 /nfs/dbraw/zinc/60/15/18/177601518.db2.gz CZEZINQITWKMNX-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN N#Cc1ccnc(Nc2cccc3c2CCCC3)c1 ZINC000019804410 181158451 /nfs/dbraw/zinc/15/84/51/181158451.db2.gz VZAYPRWDNFKQRU-UHFFFAOYSA-N 0 0 249.317 3.576 10 30 BHEERN N#Cc1ccc(Nc2cccc3c2CCCC3)nc1 ZINC000019804411 188173126 /nfs/dbraw/zinc/17/31/26/188173126.db2.gz ISQVBJKUFPXQBC-UHFFFAOYSA-N 0 0 249.317 3.576 10 30 BHEERN N#Cc1cccnc1Nc1cccc2c1CCCC2 ZINC000019804412 181153711 /nfs/dbraw/zinc/15/37/11/181153711.db2.gz ZONGZZQJTVPQOG-UHFFFAOYSA-N 0 0 249.317 3.576 10 30 BHEERN CC(C)c1ccccc1Nc1cc(C#N)ccn1 ZINC000019804419 167640403 /nfs/dbraw/zinc/64/04/03/167640403.db2.gz BCNGDHOEQSQLSA-UHFFFAOYSA-N 0 0 237.306 3.820 10 30 BHEERN CC(C)c1ccccc1Nc1ncccc1C#N ZINC000019804421 167643441 /nfs/dbraw/zinc/64/34/41/167643441.db2.gz VROAFNYZHTYEMH-UHFFFAOYSA-N 0 0 237.306 3.820 10 30 BHEERN CC(C)c1ccc(Nc2cc(C#N)ccn2)cc1 ZINC000019804443 167607515 /nfs/dbraw/zinc/60/75/15/167607515.db2.gz GTIVGYMNCOPELR-UHFFFAOYSA-N 0 0 237.306 3.820 10 30 BHEERN CC(C)c1ccc(Oc2cc(C#N)ccn2)cc1 ZINC000019804613 167610320 /nfs/dbraw/zinc/61/03/20/167610320.db2.gz YSIYPCFUAIDZQE-UHFFFAOYSA-N 0 0 238.290 3.869 10 30 BHEERN CC(C)c1ccc(Oc2ncccc2C#N)cc1 ZINC000019804617 371189251 /nfs/dbraw/zinc/18/92/51/371189251.db2.gz OBVDZVYAWDLAFC-UHFFFAOYSA-N 0 0 238.290 3.869 10 30 BHEERN N#Cc1ccnc(Oc2cccc3ccccc32)c1 ZINC000019804640 181158463 /nfs/dbraw/zinc/15/84/63/181158463.db2.gz HPRYXSQKQVSYJI-UHFFFAOYSA-N 0 0 246.269 3.899 10 30 BHEERN N#Cc1ccc(Oc2cccc3ccccc32)nc1 ZINC000019804643 188173123 /nfs/dbraw/zinc/17/31/23/188173123.db2.gz ZXSJSWMMXHKZNB-UHFFFAOYSA-N 0 0 246.269 3.899 10 30 BHEERN N#Cc1cccnc1Oc1cccc2ccccc21 ZINC000019804645 181153796 /nfs/dbraw/zinc/15/37/96/181153796.db2.gz IADBFENSRFVTIB-UHFFFAOYSA-N 0 0 246.269 3.899 10 30 BHEERN Cc1cc(Cl)ccc1Oc1cc(C#N)ccn1 ZINC000019804651 178070204 /nfs/dbraw/zinc/07/02/04/178070204.db2.gz OJVMSDUZHBLHAU-UHFFFAOYSA-N 0 0 244.681 3.707 10 30 BHEERN N#Cc1ccc(COC2CCCCC2)c(F)c1 ZINC000019804797 181111191 /nfs/dbraw/zinc/11/11/91/181111191.db2.gz VZJBILHMVPSHFX-UHFFFAOYSA-N 0 0 233.286 3.547 10 30 BHEERN N#Cc1ccc(F)c(COC2CCCCC2)c1 ZINC000019804798 181113066 /nfs/dbraw/zinc/11/30/66/181113066.db2.gz UWLQIBFVHYLJRU-UHFFFAOYSA-N 0 0 233.286 3.547 10 30 BHEERN COc1ccc(OCCCC#N)c(C(C)(C)C)c1 ZINC000019804813 188281391 /nfs/dbraw/zinc/28/13/91/188281391.db2.gz PHGVRBWBRMVOPQ-UHFFFAOYSA-N 0 0 247.338 3.675 10 30 BHEERN Cc1cc(Cl)cc(C)c1OCCCC#N ZINC000019804815 178063779 /nfs/dbraw/zinc/06/37/79/178063779.db2.gz FSLRYFHPFNJBSK-UHFFFAOYSA-N 0 0 223.703 3.639 10 30 BHEERN CC(C)(C)c1ccccc1OCCCC#N ZINC000019804823 188281633 /nfs/dbraw/zinc/28/16/33/188281633.db2.gz KTGHJPHZOXPRGN-UHFFFAOYSA-N 0 0 217.312 3.667 10 30 BHEERN Cc1cc(OCCCC#N)ccc1C(C)C ZINC000019804859 178210353 /nfs/dbraw/zinc/21/03/53/178210353.db2.gz QWQNFACWOHEGBY-UHFFFAOYSA-N 0 0 217.312 3.801 10 30 BHEERN CC(C)(C)c1ccc(OCCCC#N)cc1 ZINC000019804862 188281791 /nfs/dbraw/zinc/28/17/91/188281791.db2.gz PMSNILVKGDQSAB-UHFFFAOYSA-N 0 0 217.312 3.667 10 30 BHEERN Cc1cccc(OCc2cc(C#N)ccc2F)c1 ZINC000019804889 179172292 /nfs/dbraw/zinc/17/22/92/179172292.db2.gz LVLXDPPVBUUHJE-UHFFFAOYSA-N 0 0 241.265 3.585 10 30 BHEERN CC1CCC(OCc2ccccc2C#N)CC1 ZINC000019804930 168168712 /nfs/dbraw/zinc/16/87/12/168168712.db2.gz JCHNLQQAIYKLCW-UHFFFAOYSA-N 0 0 229.323 3.654 10 30 BHEERN CC1CCC(OCc2ccc(C#N)cc2F)CC1 ZINC000019804931 168168687 /nfs/dbraw/zinc/16/86/87/168168687.db2.gz XTVSXFICPKQVSK-UHFFFAOYSA-N 0 0 247.313 3.793 10 30 BHEERN CC1CCC(OCc2cc(C#N)ccc2F)CC1 ZINC000019804933 168168377 /nfs/dbraw/zinc/16/83/77/168168377.db2.gz DTOXJSFJWSNTEM-UHFFFAOYSA-N 0 0 247.313 3.793 10 30 BHEERN CC1CCC(OCc2ccc(C#N)cc2)CC1 ZINC000019804934 168168045 /nfs/dbraw/zinc/16/80/45/168168045.db2.gz WDQUNHASPVKWMF-UHFFFAOYSA-N 0 0 229.323 3.654 10 30 BHEERN CC1CCC(OCc2cccc(C#N)c2)CC1 ZINC000019804935 168168676 /nfs/dbraw/zinc/16/86/76/168168676.db2.gz IOYLXOJNTQKRER-UHFFFAOYSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCCC[C@@H]1OCc1ccccc1C#N ZINC000019804957 176082537 /nfs/dbraw/zinc/08/25/37/176082537.db2.gz XOMCDMIWJXMEGJ-DOMZBBRYSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCCC[C@@H]1OCc1ccccc1C#N ZINC000019804959 177084377 /nfs/dbraw/zinc/08/43/77/177084377.db2.gz XOMCDMIWJXMEGJ-WFASDCNBSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCCC[C@H]1OCc1ccccc1C#N ZINC000019804960 176090598 /nfs/dbraw/zinc/09/05/98/176090598.db2.gz XOMCDMIWJXMEGJ-IUODEOHRSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCCC[C@H]1OCc1ccccc1C#N ZINC000019804962 177090722 /nfs/dbraw/zinc/09/07/22/177090722.db2.gz XOMCDMIWJXMEGJ-SWLSCSKDSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1F ZINC000019804964 176082369 /nfs/dbraw/zinc/08/23/69/176082369.db2.gz YBHIXBJOZHCIEL-ABAIWWIYSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1F ZINC000019804966 177084551 /nfs/dbraw/zinc/08/45/51/177084551.db2.gz YBHIXBJOZHCIEL-NHYWBVRUSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@@H]1CCCC[C@H]1OCc1ccc(C#N)cc1F ZINC000019804969 176089970 /nfs/dbraw/zinc/08/99/70/176089970.db2.gz YBHIXBJOZHCIEL-IAQYHMDHSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@H]1CCCC[C@H]1OCc1ccc(C#N)cc1F ZINC000019804972 177090773 /nfs/dbraw/zinc/09/07/73/177090773.db2.gz YBHIXBJOZHCIEL-XHDPSFHLSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@@H]1CCCC[C@@H]1OCc1cc(C#N)ccc1F ZINC000019804974 176082652 /nfs/dbraw/zinc/08/26/52/176082652.db2.gz NVFFHGMHJYCYPZ-ABAIWWIYSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@H]1CCCC[C@@H]1OCc1cc(C#N)ccc1F ZINC000019804976 177084346 /nfs/dbraw/zinc/08/43/46/177084346.db2.gz NVFFHGMHJYCYPZ-NHYWBVRUSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@@H]1CCCC[C@H]1OCc1cc(C#N)ccc1F ZINC000019804978 176089969 /nfs/dbraw/zinc/08/99/69/176089969.db2.gz NVFFHGMHJYCYPZ-IAQYHMDHSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@H]1CCCC[C@H]1OCc1cc(C#N)ccc1F ZINC000019804980 177089657 /nfs/dbraw/zinc/08/96/57/177089657.db2.gz NVFFHGMHJYCYPZ-XHDPSFHLSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1 ZINC000019804982 176083045 /nfs/dbraw/zinc/08/30/45/176083045.db2.gz GMTVYQGCNLTNAP-DOMZBBRYSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1 ZINC000019804984 177084454 /nfs/dbraw/zinc/08/44/54/177084454.db2.gz GMTVYQGCNLTNAP-WFASDCNBSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCCC[C@H]1OCc1ccc(C#N)cc1 ZINC000019804986 176090402 /nfs/dbraw/zinc/09/04/02/176090402.db2.gz GMTVYQGCNLTNAP-IUODEOHRSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCCC[C@H]1OCc1ccc(C#N)cc1 ZINC000019804987 177090762 /nfs/dbraw/zinc/09/07/62/177090762.db2.gz GMTVYQGCNLTNAP-SWLSCSKDSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCCC[C@@H]1OCc1cccc(C#N)c1 ZINC000019804988 176082704 /nfs/dbraw/zinc/08/27/04/176082704.db2.gz IVBMJPKWXOBDAM-DOMZBBRYSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCCC[C@@H]1OCc1cccc(C#N)c1 ZINC000019804989 177084458 /nfs/dbraw/zinc/08/44/58/177084458.db2.gz IVBMJPKWXOBDAM-WFASDCNBSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCCC[C@H]1OCc1cccc(C#N)c1 ZINC000019804990 176090404 /nfs/dbraw/zinc/09/04/04/176090404.db2.gz IVBMJPKWXOBDAM-IUODEOHRSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCCC[C@H]1OCc1cccc(C#N)c1 ZINC000019804991 177090211 /nfs/dbraw/zinc/09/02/11/177090211.db2.gz IVBMJPKWXOBDAM-SWLSCSKDSA-N 0 0 229.323 3.654 10 30 BHEERN CC(C)C[C@H](C)OCc1ccc(C#N)cc1F ZINC000019805010 188281751 /nfs/dbraw/zinc/28/17/51/188281751.db2.gz NQXFSDYNYWHWLP-NSHDSACASA-N 0 0 235.302 3.649 10 30 BHEERN CC(C)C[C@@H](C)OCc1cc(C#N)ccc1F ZINC000019805011 188281417 /nfs/dbraw/zinc/28/14/17/188281417.db2.gz VFKLPYYCAAGSHP-LLVKDONJSA-N 0 0 235.302 3.649 10 30 BHEERN CC(C)C[C@@H](C)OCc1cccc(C#N)c1 ZINC000019805017 187253003 /nfs/dbraw/zinc/25/30/03/187253003.db2.gz KRYYMENLCILKSW-GFCCVEGCSA-N 0 0 217.312 3.509 10 30 BHEERN CC(C)C[C@H](C)OCc1cccc(C#N)c1 ZINC000019805020 188462051 /nfs/dbraw/zinc/46/20/51/188462051.db2.gz KRYYMENLCILKSW-LBPRGKRZSA-N 0 0 217.312 3.509 10 30 BHEERN Cc1ccccc1COc1ccc(CC#N)cc1 ZINC000019805060 179286112 /nfs/dbraw/zinc/28/61/12/179286112.db2.gz POAVCYNAQQIGMD-UHFFFAOYSA-N 0 0 237.302 3.640 10 30 BHEERN CCc1ccc(COc2cccc(C#N)c2)s1 ZINC000019806463 171813955 /nfs/dbraw/zinc/81/39/55/171813955.db2.gz OHULRFXKKMSUQO-UHFFFAOYSA-N 0 0 243.331 3.761 10 30 BHEERN CCc1ccc(COc2ccccc2C#N)s1 ZINC000019806464 171814091 /nfs/dbraw/zinc/81/40/91/171814091.db2.gz YLQRXDOSZOUPAF-UHFFFAOYSA-N 0 0 243.331 3.761 10 30 BHEERN N#CCc1ccc(OC/C=C/c2ccccc2)cc1 ZINC000019806734 188351228 /nfs/dbraw/zinc/35/12/28/188351228.db2.gz YPOAXNULCGIHJX-QPJJXVBHSA-N 0 0 249.313 3.845 10 30 BHEERN CCCOc1cccc2c(Cl)c(C#N)cnc12 ZINC000019806967 169325871 /nfs/dbraw/zinc/32/58/71/169325871.db2.gz LQHFEFFLVSFOGY-UHFFFAOYSA-N 0 0 246.697 3.549 10 30 BHEERN Cc1ccc(OCCC#N)c(C(C)(C)C)c1 ZINC000019808992 178810457 /nfs/dbraw/zinc/81/04/57/178810457.db2.gz PINIAPJMDPPSRN-UHFFFAOYSA-N 0 0 217.312 3.585 10 30 BHEERN C/C(=N\O)c1ccc(OCc2cccs2)cc1 ZINC000019809167 188461469 /nfs/dbraw/zinc/46/14/69/188461469.db2.gz IBXFHMWYGKRCEJ-GXDHUFHOSA-N 0 0 247.319 3.525 10 30 BHEERN CCC(C)(C)[C@@H]1CCc2nc(CC#N)sc2C1 ZINC000019809450 168304703 /nfs/dbraw/zinc/30/47/03/168304703.db2.gz BZSKTGNTZUQZCD-SNVBAGLBSA-N 0 0 248.395 3.750 10 30 BHEERN CCC(C)(C)[C@H]1CCc2nc(CC#N)sc2C1 ZINC000019809452 168304995 /nfs/dbraw/zinc/30/49/95/168304995.db2.gz BZSKTGNTZUQZCD-JTQLQIEISA-N 0 0 248.395 3.750 10 30 BHEERN Cc1cc(Cl)ccc1Nc1cc(C#N)ccn1 ZINC000019810305 178068507 /nfs/dbraw/zinc/06/85/07/178068507.db2.gz NNJFTGYOSJVQOX-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN Cc1cc(Cl)ccc1Nc1ccc(C#N)cn1 ZINC000019810307 178069144 /nfs/dbraw/zinc/06/91/44/178069144.db2.gz DMJGOVPAXQZOIG-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN Cc1cc(Cl)ccc1Nc1ncccc1C#N ZINC000019810311 178068740 /nfs/dbraw/zinc/06/87/40/178068740.db2.gz NWFOMSDHQRCEFO-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN Cc1cc(Oc2cc(C#N)ccn2)ccc1Cl ZINC000019814417 178214925 /nfs/dbraw/zinc/21/49/25/178214925.db2.gz QQDRNCDONFLICO-UHFFFAOYSA-N 0 0 244.681 3.707 10 30 BHEERN C=C(C)CSc1ccc(Cl)cc1N ZINC000019815367 187370970 /nfs/dbraw/zinc/37/09/70/187370970.db2.gz ZYILXDWQTDGEPG-UHFFFAOYSA-N 0 0 213.733 3.590 10 30 BHEERN C=C(Cl)CSc1ccc(Cl)cc1N ZINC000019815371 188231954 /nfs/dbraw/zinc/23/19/54/188231954.db2.gz MCSJEVLCQBLLPY-UHFFFAOYSA-N 0 0 234.151 3.767 10 30 BHEERN N#Cc1ccc(Oc2ccc(Cl)cc2N)cc1 ZINC000019845738 371193120 /nfs/dbraw/zinc/19/31/20/371193120.db2.gz UXNJPRLHQYFCCO-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1ccc(Oc2c(N)cccc2Cl)cc1 ZINC000019845742 181128980 /nfs/dbraw/zinc/12/89/80/181128980.db2.gz GBXRCHBZDGJOTO-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1ccccc1Oc1ccc(Cl)cc1N ZINC000019845757 181150172 /nfs/dbraw/zinc/15/01/72/181150172.db2.gz NBYXERQNLARIHW-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1ccccc1Oc1ccc(N)cc1Cl ZINC000019845761 181150115 /nfs/dbraw/zinc/15/01/15/181150115.db2.gz HDLNELHSJNALTF-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1ccccc1Oc1c(N)cccc1Cl ZINC000019845763 181150211 /nfs/dbraw/zinc/15/02/11/181150211.db2.gz PEFWVDWAVWAMIO-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1cccc(Oc2ccc(Cl)cc2N)c1 ZINC000019845856 181142877 /nfs/dbraw/zinc/14/28/77/181142877.db2.gz OWSPQWSFAPDJLM-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1cccc(Oc2ccc(N)cc2Cl)c1 ZINC000019845860 181142940 /nfs/dbraw/zinc/14/29/40/181142940.db2.gz JGTDOENQWPUSNV-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1cccc(Oc2c(N)cccc2Cl)c1 ZINC000019845863 181142881 /nfs/dbraw/zinc/14/28/81/181142881.db2.gz OJNLXKJUALKCMA-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1ccnc(Sc2ccccc2Cl)c1 ZINC000019846589 188461671 /nfs/dbraw/zinc/46/16/71/188461671.db2.gz HICHDKCRLKMTEB-UHFFFAOYSA-N 0 0 246.722 3.758 10 30 BHEERN CCOc1ccc(Nc2ccc(C#N)cc2)cc1 ZINC000019867470 170554084 /nfs/dbraw/zinc/55/40/84/170554084.db2.gz IENXPXGOYFTNSY-UHFFFAOYSA-N 0 0 238.290 3.701 10 30 BHEERN N#Cc1ccc(Nc2ccc(F)c(F)c2F)cc1 ZINC000019867531 181126894 /nfs/dbraw/zinc/12/68/94/181126894.db2.gz ZXKXKGPPYSSOMZ-UHFFFAOYSA-N 0 0 248.207 3.719 10 30 BHEERN N#Cc1ccc(Nc2cc(F)ccc2F)cc1 ZINC000019867533 181126589 /nfs/dbraw/zinc/12/65/89/181126589.db2.gz KXWWXWNQOIFXRD-UHFFFAOYSA-N 0 0 230.217 3.580 10 30 BHEERN COc1ccc(C)cc1Nc1ccc(C#N)cc1 ZINC000019867569 175079367 /nfs/dbraw/zinc/07/93/67/175079367.db2.gz OVLFHQWXVNASIO-UHFFFAOYSA-N 0 0 238.290 3.619 10 30 BHEERN N#Cc1ccc(Nc2ccc(F)c(F)c2)cc1 ZINC000019867615 181126862 /nfs/dbraw/zinc/12/68/62/181126862.db2.gz GKKPHUAVOUDYPQ-UHFFFAOYSA-N 0 0 230.217 3.580 10 30 BHEERN N#Cc1ccc(Nc2ccc(F)cc2F)cc1 ZINC000019867664 181126882 /nfs/dbraw/zinc/12/68/82/181126882.db2.gz GGXOKZLOBDQAJY-UHFFFAOYSA-N 0 0 230.217 3.580 10 30 BHEERN N#Cc1ccc(Nc2cc(F)cc(F)c2)cc1 ZINC000019867691 181126556 /nfs/dbraw/zinc/12/65/56/181126556.db2.gz FYHMJRAJOAWQRK-UHFFFAOYSA-N 0 0 230.217 3.580 10 30 BHEERN Cc1cccc(Nc2ccc(C#N)cc2)c1 ZINC000019867730 179159607 /nfs/dbraw/zinc/15/96/07/179159607.db2.gz VBDFMKQHUOJSNW-UHFFFAOYSA-N 0 0 208.264 3.610 10 30 BHEERN Cc1ccccc1Nc1ccc(C#N)cc1 ZINC000019867745 179307626 /nfs/dbraw/zinc/30/76/26/179307626.db2.gz WFCRMNXBBUCSNX-UHFFFAOYSA-N 0 0 208.264 3.610 10 30 BHEERN N#CCCN(c1ccccc1)c1ccc(C#N)cc1 ZINC000019867807 188004017 /nfs/dbraw/zinc/00/40/17/188004017.db2.gz ZNEVRIAXWYWKQA-UHFFFAOYSA-N 0 0 247.301 3.610 10 30 BHEERN Cc1cc2ncn(-c3ccc(C#N)cc3)c2cc1C ZINC000019867819 178305521 /nfs/dbraw/zinc/30/55/21/178305521.db2.gz VBKGWJXLJJRGBI-UHFFFAOYSA-N 0 0 247.301 3.514 10 30 BHEERN C[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1 ZINC000019867832 176083075 /nfs/dbraw/zinc/08/30/75/176083075.db2.gz MMCQIQBXNCBBKC-RISCZKNCSA-N 0 0 215.296 3.516 10 30 BHEERN C[C@H]1CCCC[C@@H]1Oc1ccc(C#N)cc1 ZINC000019867835 177084239 /nfs/dbraw/zinc/08/42/39/177084239.db2.gz MMCQIQBXNCBBKC-FZMZJTMJSA-N 0 0 215.296 3.516 10 30 BHEERN C[C@@H]1CCCC[C@H]1Oc1ccc(C#N)cc1 ZINC000019867839 176090642 /nfs/dbraw/zinc/09/06/42/176090642.db2.gz MMCQIQBXNCBBKC-BXUZGUMPSA-N 0 0 215.296 3.516 10 30 BHEERN C[C@H]1CCCC[C@H]1Oc1ccc(C#N)cc1 ZINC000019867843 177090068 /nfs/dbraw/zinc/09/00/68/177090068.db2.gz MMCQIQBXNCBBKC-SMDDNHRTSA-N 0 0 215.296 3.516 10 30 BHEERN CC1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000019867866 168168706 /nfs/dbraw/zinc/16/87/06/168168706.db2.gz MNSKAYDYPAPPBM-UHFFFAOYSA-N 0 0 215.296 3.516 10 30 BHEERN COc1cccc(Sc2ccc(C#N)cc2)c1 ZINC000019867946 175285872 /nfs/dbraw/zinc/28/58/72/175285872.db2.gz ULBYJSHUPMRFBW-UHFFFAOYSA-N 0 0 241.315 3.718 10 30 BHEERN CC[C@H](C)SCc1ccccc1C#N ZINC000019870158 171356885 /nfs/dbraw/zinc/35/68/85/171356885.db2.gz OWGUAAIVSZNLHN-JTQLQIEISA-N 0 0 205.326 3.590 10 30 BHEERN CC[C@H](C)SCc1ccc(C#N)cc1F ZINC000019870160 171357170 /nfs/dbraw/zinc/35/71/70/171357170.db2.gz LZYSSNVTJZYLND-VIFPVBQESA-N 0 0 223.316 3.729 10 30 BHEERN CC[C@@H](C)SCc1cc(C#N)ccc1F ZINC000019870161 170767040 /nfs/dbraw/zinc/76/70/40/170767040.db2.gz GMXSOJFMMXQONO-SECBINFHSA-N 0 0 223.316 3.729 10 30 BHEERN CC[C@H](C)SCc1cc(C#N)ccc1F ZINC000019870162 171356866 /nfs/dbraw/zinc/35/68/66/171356866.db2.gz GMXSOJFMMXQONO-VIFPVBQESA-N 0 0 223.316 3.729 10 30 BHEERN CC[C@@H](C)SCc1ccc(C#N)cc1 ZINC000019870163 170766682 /nfs/dbraw/zinc/76/66/82/170766682.db2.gz DYSKXUAOITVVIH-SNVBAGLBSA-N 0 0 205.326 3.590 10 30 BHEERN CC[C@H](C)SCc1ccc(C#N)cc1 ZINC000019870164 171356936 /nfs/dbraw/zinc/35/69/36/171356936.db2.gz DYSKXUAOITVVIH-JTQLQIEISA-N 0 0 205.326 3.590 10 30 BHEERN CC[C@H](C)SCc1cccc(C#N)c1 ZINC000019870166 171357435 /nfs/dbraw/zinc/35/74/35/171357435.db2.gz QAKFPBJFWBQTFR-JTQLQIEISA-N 0 0 205.326 3.590 10 30 BHEERN CC(C)(C)SCc1ccc(C#N)cc1F ZINC000019870223 166690610 /nfs/dbraw/zinc/69/06/10/166690610.db2.gz OTPQMDSGYOBMOI-UHFFFAOYSA-N 0 0 223.316 3.729 10 30 BHEERN CC(=O)c1ccccc1Oc1ccc(C#N)cc1 ZINC000019871544 166483324 /nfs/dbraw/zinc/48/33/24/166483324.db2.gz PLQSLAXOASNBKB-UHFFFAOYSA-N 0 0 237.258 3.553 10 30 BHEERN C=CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000019875830 347302855 /nfs/dbraw/zinc/30/28/55/347302855.db2.gz XMVXMRSVVOMVOH-GFCCVEGCSA-N 0 0 211.308 3.676 10 30 BHEERN C=CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000019875882 347303065 /nfs/dbraw/zinc/30/30/65/347303065.db2.gz AAGCPVZYUVGKMY-GFCCVEGCSA-N 0 0 217.356 3.821 10 30 BHEERN C#Cc1cccc(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019876872 166223743 /nfs/dbraw/zinc/22/37/43/166223743.db2.gz UKSQIBXWCFSRMQ-LBPRGKRZSA-N 0 0 237.302 3.547 10 30 BHEERN C#Cc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000019876884 166224038 /nfs/dbraw/zinc/22/40/38/166224038.db2.gz OYFLDUFUEVRIPA-LBPRGKRZSA-N 0 0 237.302 3.547 10 30 BHEERN C#Cc1cccc(N[C@@H](C)c2cccs2)c1 ZINC000019876894 166224027 /nfs/dbraw/zinc/22/40/27/166224027.db2.gz MGUAWKGJRSZVGI-NSHDSACASA-N 0 0 227.332 3.903 10 30 BHEERN C#Cc1cccc(N[C@H](C)c2ccc(F)cc2)c1 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/nfs/dbraw/zinc/22/36/17/166223617.db2.gz GAYYYUYAEMRQLQ-LBPRGKRZSA-N 0 0 237.302 3.547 10 30 BHEERN C#Cc1cccc(N[C@H](C)c2cccc(F)c2)c1 ZINC000019877007 187370765 /nfs/dbraw/zinc/37/07/65/187370765.db2.gz BUQZFMJPBQCTDQ-GFCCVEGCSA-N 0 0 239.293 3.980 10 30 BHEERN C#Cc1cccc(N[C@@H](C)c2cccc(F)c2)c1 ZINC000019877008 166224090 /nfs/dbraw/zinc/22/40/90/166224090.db2.gz BUQZFMJPBQCTDQ-LBPRGKRZSA-N 0 0 239.293 3.980 10 30 BHEERN C#Cc1cccc(N[C@@H]2CCOc3ccccc32)c1 ZINC000019877024 187314194 /nfs/dbraw/zinc/31/41/94/187314194.db2.gz QQPHVWYQDCQFHD-MRXNPFEDSA-N 0 0 249.313 3.604 10 30 BHEERN C[C@H](Nc1ccccc1)c1ccc(C#N)cc1 ZINC000019879321 176936772 /nfs/dbraw/zinc/93/67/72/176936772.db2.gz USZXBZBMYSBOPK-LBPRGKRZSA-N 0 0 222.291 3.731 10 30 BHEERN CC1CCC(Nc2ccccc2C#N)CC1 ZINC000019921378 168165765 /nfs/dbraw/zinc/16/57/65/168165765.db2.gz OHKWAGCVPKZJEL-UHFFFAOYSA-N 0 0 214.312 3.549 10 30 BHEERN N#Cc1ccccc1NC1CCCCCC1 ZINC000019921380 181147903 /nfs/dbraw/zinc/14/79/03/181147903.db2.gz 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N#C[C@@H](NC1CCCCC1)c1cccc(Cl)c1 ZINC000020173909 187418445 /nfs/dbraw/zinc/41/84/45/187418445.db2.gz IZMKMNZPRBDQQM-CQSZACIVSA-N 0 0 248.757 3.827 10 30 BHEERN N#C[C@H](NC1CCCCC1)c1ccc(Cl)cc1 ZINC000020174158 181065622 /nfs/dbraw/zinc/06/56/22/181065622.db2.gz RBWPBRVRDGJRDB-AWEZNQCLSA-N 0 0 248.757 3.827 10 30 BHEERN CC(C)CN[C@H](C#N)c1ccc(C(C)C)cc1 ZINC000020174390 167013170 /nfs/dbraw/zinc/01/31/70/167013170.db2.gz KVVOYKMSKJIKID-OAHLLOKOSA-N 0 0 230.355 3.620 10 30 BHEERN CC(C)c1ccc([C@H](C#N)NC2CCCC2)cc1 ZINC000020174393 167617355 /nfs/dbraw/zinc/61/73/55/167617355.db2.gz WNJXIFDETFQYPZ-INIZCTEOSA-N 0 0 242.366 3.907 10 30 BHEERN CC(C)c1ccc([C@@H](C#N)NC2CCCC2)cc1 ZINC000020174396 167611313 /nfs/dbraw/zinc/61/13/13/167611313.db2.gz WNJXIFDETFQYPZ-MRXNPFEDSA-N 0 0 242.366 3.907 10 30 BHEERN CCCN[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175342 169273082 /nfs/dbraw/zinc/27/30/82/169273082.db2.gz UXFMLWTWYDZUFD-AWEZNQCLSA-N 0 0 230.355 3.548 10 30 BHEERN CCCN[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175343 169283585 /nfs/dbraw/zinc/28/35/85/169283585.db2.gz UXFMLWTWYDZUFD-CQSZACIVSA-N 0 0 230.355 3.548 10 30 BHEERN CC(C)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175345 167129761 /nfs/dbraw/zinc/12/97/61/167129761.db2.gz FCGUSCQIYNZFIM-AWEZNQCLSA-N 0 0 230.355 3.547 10 30 BHEERN CC(C)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175347 167137387 /nfs/dbraw/zinc/13/73/87/167137387.db2.gz FCGUSCQIYNZFIM-CQSZACIVSA-N 0 0 230.355 3.547 10 30 BHEERN CCCCN[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175355 168872248 /nfs/dbraw/zinc/87/22/48/168872248.db2.gz NENAYSZSTLIKGB-HNNXBMFYSA-N 0 0 244.382 3.938 10 30 BHEERN CC(C)CN[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175360 167014027 /nfs/dbraw/zinc/01/40/27/167014027.db2.gz VIQWCWTXPFZDSD-OAHLLOKOSA-N 0 0 244.382 3.794 10 30 BHEERN CCCN[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020176997 169274031 /nfs/dbraw/zinc/27/40/31/169274031.db2.gz CSACJAMWLNLTAG-NSHDSACASA-N 0 0 243.137 3.558 10 30 BHEERN CCCN[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000020176999 169283767 /nfs/dbraw/zinc/28/37/67/169283767.db2.gz CSACJAMWLNLTAG-LLVKDONJSA-N 0 0 243.137 3.558 10 30 BHEERN CC(C)N[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177002 167129013 /nfs/dbraw/zinc/12/90/13/167129013.db2.gz JIDQMZDWZSFTHY-NSHDSACASA-N 0 0 243.137 3.556 10 30 BHEERN CC(C)N[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000020177005 167137430 /nfs/dbraw/zinc/13/74/30/167137430.db2.gz JIDQMZDWZSFTHY-LLVKDONJSA-N 0 0 243.137 3.556 10 30 BHEERN CCCN[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000020177128 169273130 /nfs/dbraw/zinc/27/31/30/169273130.db2.gz JGNFTFDZLIDIAX-JTQLQIEISA-N 0 0 243.137 3.558 10 30 BHEERN CCCN[C@H](C#N)c1c(Cl)cccc1Cl ZINC000020177129 169283851 /nfs/dbraw/zinc/28/38/51/169283851.db2.gz JGNFTFDZLIDIAX-SNVBAGLBSA-N 0 0 243.137 3.558 10 30 BHEERN CC(C)N[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000020177130 167130695 /nfs/dbraw/zinc/13/06/95/167130695.db2.gz PVVOPAUOCKBSPU-JTQLQIEISA-N 0 0 243.137 3.556 10 30 BHEERN CC(C)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000020177131 167137210 /nfs/dbraw/zinc/13/72/10/167137210.db2.gz PVVOPAUOCKBSPU-SNVBAGLBSA-N 0 0 243.137 3.556 10 30 BHEERN CCCN[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000020177243 169273861 /nfs/dbraw/zinc/27/38/61/169273861.db2.gz PIBLDSLMDZGJBK-JTQLQIEISA-N 0 0 243.137 3.558 10 30 BHEERN CCCN[C@H](C#N)c1cccc(Cl)c1Cl ZINC000020177244 169283902 /nfs/dbraw/zinc/28/39/02/169283902.db2.gz PIBLDSLMDZGJBK-SNVBAGLBSA-N 0 0 243.137 3.558 10 30 BHEERN CC(C)N[C@@H](C#N)c1cccc(Cl)c1Cl ZINC000020177245 167130963 /nfs/dbraw/zinc/13/09/63/167130963.db2.gz WRWVVZATSWKFRR-JTQLQIEISA-N 0 0 243.137 3.556 10 30 BHEERN CC(C)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000020177246 167136978 /nfs/dbraw/zinc/13/69/78/167136978.db2.gz WRWVVZATSWKFRR-SNVBAGLBSA-N 0 0 243.137 3.556 10 30 BHEERN N#CC1(NC2CCCCCC2)CCCCC1 ZINC000020177958 181030468 /nfs/dbraw/zinc/03/04/68/181030468.db2.gz MILFMCIDDAZWTL-UHFFFAOYSA-N 0 0 220.360 3.525 10 30 BHEERN CC1CCC(C#N)(NC2CCCCCC2)CC1 ZINC000020178063 168149645 /nfs/dbraw/zinc/14/96/45/168149645.db2.gz KTFGNDIKSHAEQO-UHFFFAOYSA-N 0 0 234.387 3.771 10 30 BHEERN C[C@@H](NCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000020199706 384596893 /nfs/dbraw/zinc/59/68/93/384596893.db2.gz VGLFKKBTWJRPBJ-GFCCVEGCSA-N 0 0 230.355 3.548 10 30 BHEERN C[C@H](NCCC#N)c1ccc(C(C)(C)C)cc1 ZINC000020199708 384595789 /nfs/dbraw/zinc/59/57/89/384595789.db2.gz VGLFKKBTWJRPBJ-LBPRGKRZSA-N 0 0 230.355 3.548 10 30 BHEERN C[C@@H](NCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000020200011 134223707 /nfs/dbraw/zinc/22/37/07/134223707.db2.gz FAZLPUFOLHXEEM-MRVPVSSYSA-N 0 0 243.137 3.558 10 30 BHEERN C[C@H](NCCC#N)c1ccc(Cl)c(Cl)c1 ZINC000020200013 134223530 /nfs/dbraw/zinc/22/35/30/134223530.db2.gz FAZLPUFOLHXEEM-QMMMGPOBSA-N 0 0 243.137 3.558 10 30 BHEERN N#Cc1ccc(Oc2cccc3cccnc32)cc1 ZINC000020296936 187316472 /nfs/dbraw/zinc/31/64/72/187316472.db2.gz PWYDICHYVPRVNR-UHFFFAOYSA-N 0 0 246.269 3.899 10 30 BHEERN CCCCCC(=O)N(CCC#N)c1ccccc1 ZINC000020305758 168634006 /nfs/dbraw/zinc/63/40/06/168634006.db2.gz KWHOLJJQUANFMR-UHFFFAOYSA-N 0 0 244.338 3.514 10 30 BHEERN Cc1cc(C)cc(Oc2ccc(N)cc2C#N)c1 ZINC000020345458 177913899 /nfs/dbraw/zinc/91/38/99/177913899.db2.gz UYIDXWYMQHMXJG-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN Cc1ccc(C)c(Oc2ccc(N)cc2C#N)c1 ZINC000020357299 388763961 /nfs/dbraw/zinc/76/39/61/388763961.db2.gz NGMDOXTWFWNFNR-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN Cc1ccc(Oc2ccc(N)cc2C#N)cc1C ZINC000020394949 397964201 /nfs/dbraw/zinc/96/42/01/397964201.db2.gz LOMPHLLFRNAEOJ-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN Cc1cccc(Oc2ccc(N)cc2C#N)c1C ZINC000020417999 371279434 /nfs/dbraw/zinc/27/94/34/371279434.db2.gz HVOXVRPHMUNCRC-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN N#CC1(c2cccc(F)c2)CCCCCC1 ZINC000020429402 181031740 /nfs/dbraw/zinc/03/17/40/181031740.db2.gz JBRDRNBDOMIJJI-UHFFFAOYSA-N 0 0 217.287 3.941 10 30 BHEERN N#CC1(c2ccc(F)cc2)CCCCCC1 ZINC000020429548 181031783 /nfs/dbraw/zinc/03/17/83/181031783.db2.gz QRGXPWJZROVFOJ-UHFFFAOYSA-N 0 0 217.287 3.941 10 30 BHEERN N#Cc1cc(N)ccc1Oc1cccc(Cl)c1 ZINC000020437538 181089114 /nfs/dbraw/zinc/08/91/14/181089114.db2.gz HDOZEPYIENYNEE-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN CC(C)Oc1ccc2ncc(C#N)c(Cl)c2c1 ZINC000020473146 167304486 /nfs/dbraw/zinc/30/44/86/167304486.db2.gz LGUHNGZZUZGMKS-UHFFFAOYSA-N 0 0 246.697 3.547 10 30 BHEERN Fc1ccc([C@@H](S)c2ccccc2)cc1 ZINC000020476496 342986578 /nfs/dbraw/zinc/98/65/78/342986578.db2.gz QQQXNBWQBFRLIU-ZDUSSCGKSA-N 0 0 218.296 3.845 10 30 BHEERN Fc1ccc([C@H](S)c2ccccc2)cc1 ZINC000020476497 342986672 /nfs/dbraw/zinc/98/66/72/342986672.db2.gz QQQXNBWQBFRLIU-CYBMUJFWSA-N 0 0 218.296 3.845 10 30 BHEERN CC[C@@H](S)c1cc(Br)ccc1O ZINC000020476524 590115733 /nfs/dbraw/zinc/11/57/33/590115733.db2.gz AUPXVABASQMENH-SECBINFHSA-N 0 0 247.157 3.536 10 30 BHEERN CC[C@H](S)c1cc(Br)ccc1O ZINC000020476525 590115737 /nfs/dbraw/zinc/11/57/37/590115737.db2.gz AUPXVABASQMENH-VIFPVBQESA-N 0 0 247.157 3.536 10 30 BHEERN C[C@@H](S)c1ccc2ccccc2c1O ZINC000020476554 590115844 /nfs/dbraw/zinc/11/58/44/590115844.db2.gz ZOJLOHGLXUPFSX-MRVPVSSYSA-N 0 0 204.294 3.536 10 30 BHEERN C[C@H](S)c1ccc2ccccc2c1O ZINC000020476555 590115744 /nfs/dbraw/zinc/11/57/44/590115744.db2.gz ZOJLOHGLXUPFSX-QMMMGPOBSA-N 0 0 204.294 3.536 10 30 BHEERN C[C@@H](S)CCc1ccc(OC(F)F)cc1 ZINC000020476576 584883000 /nfs/dbraw/zinc/88/30/00/584883000.db2.gz CKMDNIZFBBWOBL-MRVPVSSYSA-N 0 0 232.295 3.539 10 30 BHEERN C[C@H](S)CCc1ccc(OC(F)F)cc1 ZINC000020476577 584882883 /nfs/dbraw/zinc/88/28/83/584882883.db2.gz CKMDNIZFBBWOBL-QMMMGPOBSA-N 0 0 232.295 3.539 10 30 BHEERN C[C@@H](S)c1ccc(Cl)c(Cl)c1 ZINC000020476615 176007378 /nfs/dbraw/zinc/00/73/78/176007378.db2.gz QXOPDGSKMHFKIL-RXMQYKEDSA-N 0 0 207.125 3.984 10 30 BHEERN C[C@H](S)c1ccc(Cl)c(Cl)c1 ZINC000020476616 177025872 /nfs/dbraw/zinc/02/58/72/177025872.db2.gz QXOPDGSKMHFKIL-YFKPBYRVSA-N 0 0 207.125 3.984 10 30 BHEERN CCc1c2ccccc2oc1[C@@H](C)S ZINC000020476652 584883065 /nfs/dbraw/zinc/88/30/65/584883065.db2.gz KEMGWGYKLQOEBG-MRVPVSSYSA-N 0 0 206.310 3.986 10 30 BHEERN CCc1c2ccccc2oc1[C@H](C)S ZINC000020476653 584882874 /nfs/dbraw/zinc/88/28/74/584882874.db2.gz KEMGWGYKLQOEBG-QMMMGPOBSA-N 0 0 206.310 3.986 10 30 BHEERN N#Cc1cc(N)ccc1Oc1ccc(Cl)cc1 ZINC000020478728 181088940 /nfs/dbraw/zinc/08/89/40/181088940.db2.gz TVGHFTCHGIZYES-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN C[C@@H]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC000020514190 176124972 /nfs/dbraw/zinc/12/49/72/176124972.db2.gz SRAWIJAGBRSBNP-DGCLKSJQSA-N 0 0 215.296 3.516 10 30 BHEERN C[C@H]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC000020514194 177123489 /nfs/dbraw/zinc/12/34/89/177123489.db2.gz SRAWIJAGBRSBNP-WCQYABFASA-N 0 0 215.296 3.516 10 30 BHEERN C[C@@H]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC000020514199 176145872 /nfs/dbraw/zinc/14/58/72/176145872.db2.gz SRAWIJAGBRSBNP-YPMHNXCESA-N 0 0 215.296 3.516 10 30 BHEERN C[C@H]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC000020514202 177139086 /nfs/dbraw/zinc/13/90/86/177139086.db2.gz SRAWIJAGBRSBNP-AAEUAGOBSA-N 0 0 215.296 3.516 10 30 BHEERN C[C@@H]1CCC[C@@H](OCc2cccc(C#N)c2)C1 ZINC000020514913 176125227 /nfs/dbraw/zinc/12/52/27/176125227.db2.gz YFBIMZKSWDXJCJ-IUODEOHRSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCC[C@@H](OCc2cccc(C#N)c2)C1 ZINC000020514917 177123385 /nfs/dbraw/zinc/12/33/85/177123385.db2.gz YFBIMZKSWDXJCJ-SWLSCSKDSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCC[C@H](OCc2cccc(C#N)c2)C1 ZINC000020514922 176146047 /nfs/dbraw/zinc/14/60/47/176146047.db2.gz YFBIMZKSWDXJCJ-DOMZBBRYSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCC[C@H](OCc2cccc(C#N)c2)C1 ZINC000020514926 177137738 /nfs/dbraw/zinc/13/77/38/177137738.db2.gz YFBIMZKSWDXJCJ-WFASDCNBSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCC[C@@H](OCc2ccc(C#N)cc2)C1 ZINC000020515078 176125412 /nfs/dbraw/zinc/12/54/12/176125412.db2.gz SVPWUXOCPRHGSX-IUODEOHRSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCC[C@@H](OCc2ccc(C#N)cc2)C1 ZINC000020515080 187253574 /nfs/dbraw/zinc/25/35/74/187253574.db2.gz SVPWUXOCPRHGSX-SWLSCSKDSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCC[C@H](OCc2ccc(C#N)cc2)C1 ZINC000020515083 176146237 /nfs/dbraw/zinc/14/62/37/176146237.db2.gz SVPWUXOCPRHGSX-DOMZBBRYSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@H]1CCC[C@H](OCc2ccc(C#N)cc2)C1 ZINC000020515088 177138514 /nfs/dbraw/zinc/13/85/14/177138514.db2.gz SVPWUXOCPRHGSX-WFASDCNBSA-N 0 0 229.323 3.654 10 30 BHEERN C[C@@H]1CCC[C@@H](OCc2ccc(C#N)cc2F)C1 ZINC000020515109 176125451 /nfs/dbraw/zinc/12/54/51/176125451.db2.gz FSCOCEOXNDPKLH-BXUZGUMPSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@@H]1CCC[C@H](OCc2ccc(C#N)cc2F)C1 ZINC000020515116 176146209 /nfs/dbraw/zinc/14/62/09/176146209.db2.gz FSCOCEOXNDPKLH-RISCZKNCSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@H]1CCC[C@H](OCc2ccc(C#N)cc2F)C1 ZINC000020515120 177138464 /nfs/dbraw/zinc/13/84/64/177138464.db2.gz FSCOCEOXNDPKLH-FZMZJTMJSA-N 0 0 247.313 3.793 10 30 BHEERN C[C@@H]1CC=CC[C@@H]1COc1ccccc1C#N ZINC000020519148 176059129 /nfs/dbraw/zinc/05/91/29/176059129.db2.gz FDECPGXVYXPIBG-TZMCWYRMSA-N 0 0 227.307 3.539 10 30 BHEERN C[C@@H]1CC=CC[C@H]1COc1ccccc1C#N ZINC000020519151 176061921 /nfs/dbraw/zinc/06/19/21/176061921.db2.gz FDECPGXVYXPIBG-OCCSQVGLSA-N 0 0 227.307 3.539 10 30 BHEERN C[C@H]1CC=CC[C@H]1COc1ccccc1C#N ZINC000020519152 177068701 /nfs/dbraw/zinc/06/87/01/177068701.db2.gz FDECPGXVYXPIBG-JSGCOSHPSA-N 0 0 227.307 3.539 10 30 BHEERN C[C@@H]1CC=CC[C@@H]1COCc1ccc(C#N)cc1 ZINC000020519206 176059404 /nfs/dbraw/zinc/05/94/04/176059404.db2.gz GXIXINJSCOKFQV-CZUORRHYSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@H]1CC=CC[C@@H]1COCc1ccc(C#N)cc1 ZINC000020519207 188463872 /nfs/dbraw/zinc/46/38/72/188463872.db2.gz GXIXINJSCOKFQV-XJKSGUPXSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@@H]1CC=CC[C@H]1COCc1ccc(C#N)cc1 ZINC000020519208 176061697 /nfs/dbraw/zinc/06/16/97/176061697.db2.gz GXIXINJSCOKFQV-CJNGLKHVSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@H]1CC=CC[C@H]1COCc1ccc(C#N)cc1 ZINC000020519209 177068565 /nfs/dbraw/zinc/06/85/65/177068565.db2.gz GXIXINJSCOKFQV-BBRMVZONSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@@H]1CC=CC[C@@H]1COCc1ccccc1C#N ZINC000020519224 176059467 /nfs/dbraw/zinc/05/94/67/176059467.db2.gz SWRYVLAULUBCMA-UKRRQHHQSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@@H]1CC=CC[C@H]1COCc1ccccc1C#N ZINC000020519227 176061418 /nfs/dbraw/zinc/06/14/18/176061418.db2.gz SWRYVLAULUBCMA-HIFRSBDPSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@H]1CC=CC[C@H]1COCc1ccccc1C#N ZINC000020519228 177068898 /nfs/dbraw/zinc/06/88/98/177068898.db2.gz SWRYVLAULUBCMA-ZFWWWQNUSA-N 0 0 241.334 3.677 10 30 BHEERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc(C#N)c1 ZINC000020548956 176114642 /nfs/dbraw/zinc/11/46/42/176114642.db2.gz CORZWKMXIQFUCI-VXGBXAGGSA-N 0 0 228.339 3.795 10 30 BHEERN C[C@@H]1CCC[C@H](C)C1Nc1cccc(C#N)c1 ZINC000020548957 177113995 /nfs/dbraw/zinc/11/39/95/177113995.db2.gz CORZWKMXIQFUCI-ODOQXGPZSA-N 0 0 228.339 3.795 10 30 BHEERN C[C@H]1CCC[C@H](C)C1Nc1cccc(C#N)c1 ZINC000020548960 177130501 /nfs/dbraw/zinc/13/05/01/177130501.db2.gz CORZWKMXIQFUCI-RYUDHWBXSA-N 0 0 228.339 3.795 10 30 BHEERN N#Cc1ccccc1Nc1ccc(Cl)cc1 ZINC000020550784 384925853 /nfs/dbraw/zinc/92/58/53/384925853.db2.gz QOGXHTBHYUSCLP-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN Cc1cccc(C)c1Nc1ccccc1C#N ZINC000020553245 371296185 /nfs/dbraw/zinc/29/61/85/371296185.db2.gz GNAFPHCSGFVUSF-UHFFFAOYSA-N 0 0 222.291 3.919 10 30 BHEERN Cc1cccc(C)c1Nc1ccc(C#N)cc1 ZINC000020557067 179044827 /nfs/dbraw/zinc/04/48/27/179044827.db2.gz JEEFMISZROAOEZ-UHFFFAOYSA-N 0 0 222.291 3.919 10 30 BHEERN N#Cc1ccc(Nc2cccc(Cl)c2)cc1 ZINC000020558382 371295168 /nfs/dbraw/zinc/29/51/68/371295168.db2.gz UYFZOSASXJFFTP-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN N#Cc1ccccc1Nc1ccccc1Cl ZINC000020565532 371296468 /nfs/dbraw/zinc/29/64/68/371296468.db2.gz CXTJIRJZZGIWTC-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN N#Cc1ccccc1Nc1c(N)cccc1Cl ZINC000020585515 181149370 /nfs/dbraw/zinc/14/93/70/181149370.db2.gz GBZKGZMRKDSGKI-UHFFFAOYSA-N 0 0 243.697 3.537 10 30 BHEERN N#Cc1ccccc1Nc1ccc(Cl)cc1N ZINC000020585520 181148883 /nfs/dbraw/zinc/14/88/83/181148883.db2.gz CYXDHJJWRRDRSK-UHFFFAOYSA-N 0 0 243.697 3.537 10 30 BHEERN N#Cc1ccc(Nc2ccc(Cl)cc2N)cc1 ZINC000020585593 181126886 /nfs/dbraw/zinc/12/68/86/181126886.db2.gz UIMJQIIUQKJABI-UHFFFAOYSA-N 0 0 243.697 3.537 10 30 BHEERN Cc1cc(F)ccc1Nc1ccc(C#N)cc1 ZINC000021012254 178091204 /nfs/dbraw/zinc/09/12/04/178091204.db2.gz JKYKZWFJUAFPNA-UHFFFAOYSA-N 0 0 226.254 3.749 10 30 BHEERN C[C@H]1Cc2ccccc2N1c1ccccc1C#N ZINC000021013620 177390556 /nfs/dbraw/zinc/39/05/56/177390556.db2.gz WHOKQWXZFCSYHY-LBPRGKRZSA-N 0 0 234.302 3.641 10 30 BHEERN CCc1ccc(Nc2ccccc2C#N)cc1 ZINC000021013998 171822870 /nfs/dbraw/zinc/82/28/70/171822870.db2.gz NIHVHXYWTBCJHZ-UHFFFAOYSA-N 0 0 222.291 3.864 10 30 BHEERN N#Cc1ccccc1N1CCCc2ccccc21 ZINC000021049011 132332116 /nfs/dbraw/zinc/33/21/16/132332116.db2.gz BCTZMIBGNYFBLK-UHFFFAOYSA-N 0 0 234.302 3.643 10 30 BHEERN CCN(c1ccc(C#N)cc1)C1CCCCC1 ZINC000021055507 169941361 /nfs/dbraw/zinc/94/13/61/169941361.db2.gz GYTAUKBAOUQVKW-UHFFFAOYSA-N 0 0 228.339 3.717 10 30 BHEERN CC[C@@H]1CCCC[C@@H]1Oc1ccccc1C#N ZINC000021061518 170967862 /nfs/dbraw/zinc/96/78/62/170967862.db2.gz AHIZOBPZBKUDFC-OCCSQVGLSA-N 0 0 229.323 3.906 10 30 BHEERN CC[C@@H]1CCCC[C@H]1Oc1ccccc1C#N ZINC000021061525 170971432 /nfs/dbraw/zinc/97/14/32/170971432.db2.gz AHIZOBPZBKUDFC-TZMCWYRMSA-N 0 0 229.323 3.906 10 30 BHEERN Cc1cc(F)ccc1Nc1ccccc1C#N ZINC000021502281 178090863 /nfs/dbraw/zinc/09/08/63/178090863.db2.gz WCFSWIDSNGXPTQ-UHFFFAOYSA-N 0 0 226.254 3.749 10 30 BHEERN Cc1ccc(Oc2ccccc2C#N)cc1C ZINC000021517336 178821059 /nfs/dbraw/zinc/82/10/59/178821059.db2.gz GMEPPIUEYNTZDQ-UHFFFAOYSA-N 0 0 223.275 3.967 10 30 BHEERN CCc1cccc(Oc2ccccc2C#N)c1 ZINC000021520274 171866719 /nfs/dbraw/zinc/86/67/19/171866719.db2.gz IMKYVOJCKKPCGP-UHFFFAOYSA-N 0 0 223.275 3.913 10 30 BHEERN N#Cc1ccc(N2CCCc3ccccc32)cc1 ZINC000021789816 132332161 /nfs/dbraw/zinc/33/21/61/132332161.db2.gz IWZKQBLIWDPTLH-UHFFFAOYSA-N 0 0 234.302 3.643 10 30 BHEERN C/C(=N\O)c1cccc(OC2CCCCC2)c1 ZINC000021803777 187254143 /nfs/dbraw/zinc/25/41/43/187254143.db2.gz GLUFRUDDVFAWHQ-RVDMUPIBSA-N 0 0 233.311 3.596 10 30 BHEERN Cc1cccc(Nc2ccccc2C#N)c1C ZINC000021807104 179158968 /nfs/dbraw/zinc/15/89/68/179158968.db2.gz KCFZJHITSZFNLY-UHFFFAOYSA-N 0 0 222.291 3.919 10 30 BHEERN Cc1ccc2c(c1)CCCN2c1ccc(C#N)cc1 ZINC000021818062 132332001 /nfs/dbraw/zinc/33/20/01/132332001.db2.gz AJGCSUNNTCIZTP-UHFFFAOYSA-N 0 0 248.329 3.951 10 30 BHEERN C[C@@]1(c2ccccc2)O[C@@H]1c1ccccc1 ZINC000021988456 176547466 /nfs/dbraw/zinc/54/74/66/176547466.db2.gz SDLOAJBYHVVDQI-CABCVRRESA-N 0 0 210.276 3.673 10 30 BHEERN C[C@@]1(c2ccccc2)O[C@H]1c1ccccc1 ZINC000021988460 176547406 /nfs/dbraw/zinc/54/74/06/176547406.db2.gz SDLOAJBYHVVDQI-GJZGRUSLSA-N 0 0 210.276 3.673 10 30 BHEERN C=CC[C@H](OC(C)=O)c1ccc(Cl)cc1 ZINC000021990246 188232918 /nfs/dbraw/zinc/23/29/18/188232918.db2.gz RHRDKMQPMDEFEE-LBPRGKRZSA-N 0 0 224.687 3.520 10 30 BHEERN C=CC[C@@H](OC(C)=O)c1ccc(Cl)cc1 ZINC000021990249 356545428 /nfs/dbraw/zinc/54/54/28/356545428.db2.gz RHRDKMQPMDEFEE-GFCCVEGCSA-N 0 0 224.687 3.520 10 30 BHEERN C=C[C@@H](c1ccccc1)N(O)Cc1ccccc1 ZINC000021990365 188008889 /nfs/dbraw/zinc/00/88/89/188008889.db2.gz XWONFHVPVGBMJD-INIZCTEOSA-N 0 0 239.318 3.805 10 30 BHEERN C=C[C@H](c1ccccc1)N(O)Cc1ccccc1 ZINC000021990368 188008915 /nfs/dbraw/zinc/00/89/15/188008915.db2.gz XWONFHVPVGBMJD-MRXNPFEDSA-N 0 0 239.318 3.805 10 30 BHEERN C=C(C)c1cc(C(C)C)ccc1NC(C)=O ZINC000021997225 188081727 /nfs/dbraw/zinc/08/17/27/188081727.db2.gz YRWNQPZHKOFFMA-UHFFFAOYSA-N 0 0 217.312 3.802 10 30 BHEERN C=C[C@](C)(O)/C=C/c1c(C)cc(OC)c(C)c1C ZINC000022002483 200825244 /nfs/dbraw/zinc/82/52/44/200825244.db2.gz DLEFXRUYVNNBFL-FDMDGMSGSA-N 0 0 246.350 3.571 10 30 BHEERN C=C[C@@](C)(O)/C=C/c1c(C)cc(OC)c(C)c1C ZINC000022002487 386862657 /nfs/dbraw/zinc/86/26/57/386862657.db2.gz DLEFXRUYVNNBFL-ROJDOSBLSA-N 0 0 246.350 3.571 10 30 BHEERN C=CC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000022002885 386863547 /nfs/dbraw/zinc/86/35/47/386863547.db2.gz ZRXZARIDOWOPFF-CYBMUJFWSA-N 0 0 247.338 3.829 10 30 BHEERN C=CC[C@H](O)c1ccc(Cl)cc1Cl ZINC000022003227 187371709 /nfs/dbraw/zinc/37/17/09/187371709.db2.gz PQHYKBQIWFGILT-JTQLQIEISA-N 0 0 217.095 3.603 10 30 BHEERN C=CC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000022003233 187371496 /nfs/dbraw/zinc/37/14/96/187371496.db2.gz PQHYKBQIWFGILT-SNVBAGLBSA-N 0 0 217.095 3.603 10 30 BHEERN C=CCCCO[C@H](C=C)OCc1ccccc1 ZINC000022004163 166244052 /nfs/dbraw/zinc/24/40/52/166244052.db2.gz RWMCEZMYVHUKIP-HNNXBMFYSA-N 0 0 232.323 3.698 10 30 BHEERN C=CCCCO[C@@H](C=C)OCc1ccccc1 ZINC000022004168 166243299 /nfs/dbraw/zinc/24/32/99/166243299.db2.gz RWMCEZMYVHUKIP-OAHLLOKOSA-N 0 0 232.323 3.698 10 30 BHEERN N#Cc1cccc(F)c1-c1ccccc1F ZINC000022004478 181139604 /nfs/dbraw/zinc/13/96/04/181139604.db2.gz FGUIDVNXBOZMLY-UHFFFAOYSA-N 0 0 215.202 3.503 10 30 BHEERN CCCCCCCCn1sc(Cl)cc1=O ZINC000022054796 187253806 /nfs/dbraw/zinc/25/38/06/187253806.db2.gz PTMXFIUOGSODQW-UHFFFAOYSA-N 0 0 247.791 3.924 10 30 in-vitro BHEERN C=C1CC2(CCCCCCCCC2)OC1=O ZINC000025986310 188233442 /nfs/dbraw/zinc/23/34/42/188233442.db2.gz CUTWHOILGASKQR-UHFFFAOYSA-N 0 0 222.328 3.753 10 30 BHEERN C=C1C(=O)c2ccccc2O[C@@H]1c1ccccc1 ZINC000026015040 343099660 /nfs/dbraw/zinc/09/96/60/343099660.db2.gz MOLVQHHXMFNNFM-INIZCTEOSA-N 0 0 236.270 3.559 10 30 BHEERN C=C1C(=O)c2ccccc2O[C@H]1c1ccccc1 ZINC000026015046 187420406 /nfs/dbraw/zinc/42/04/06/187420406.db2.gz MOLVQHHXMFNNFM-MRXNPFEDSA-N 0 0 236.270 3.559 10 30 BHEERN SCCN(Cc1ccccc1)c1ccccc1 ZINC000026509707 188254904 /nfs/dbraw/zinc/25/49/04/188254904.db2.gz WCHQTECIVQRPFK-UHFFFAOYSA-N 0 0 243.375 3.623 10 30 BHEERN O=C(/C=C/c1ccco1)c1ccc(Cl)s1 ZINC000026572318 181845088 /nfs/dbraw/zinc/84/50/88/181845088.db2.gz SGICLQSFCAZZQE-ONEGZZNKSA-N 0 0 238.695 3.891 10 30 BHEERN CCC[NH+](CC#Cc1ccc(Cl)cc1)CCC ZINC000026803130 169091755 /nfs/dbraw/zinc/09/17/55/169091755.db2.gz JQHCWKBZZGWSEN-UHFFFAOYSA-N 0 0 249.785 3.814 10 30 BHEERN C=C1CCC(C(C)C)=C[C@@H]2[C@H]1CC[C@]2(C)O ZINC000026833099 187831581 /nfs/dbraw/zinc/83/15/81/187831581.db2.gz BUPJOLXWQXEJSQ-ZNMIVQPWSA-N 0 0 220.356 3.696 10 30 BHEERN C=C1CCC(C(C)C)=C[C@@H]2[C@@H]1CC[C@]2(C)O ZINC000026833106 188010354 /nfs/dbraw/zinc/01/03/54/188010354.db2.gz BUPJOLXWQXEJSQ-KFWWJZLASA-N 0 0 220.356 3.696 10 30 BHEERN C=C(OCCCC)C1=CC(=O)CC(C)(C)C1 ZINC000026896807 518654783 /nfs/dbraw/zinc/65/47/83/518654783.db2.gz CNXDJUTVDJLOAP-UHFFFAOYSA-N 0 0 222.328 3.632 10 30 BHEERN CCCSCCC(=O)/C=C/c1ccccc1 ZINC000027442187 169339446 /nfs/dbraw/zinc/33/94/46/169339446.db2.gz KRAFNIWKUPDFHI-CMDGGOBGSA-N 0 0 234.364 3.802 10 30 BHEERN CC1=C(CCC(C)C)C(=O)c2ccccc2C1=O ZINC000027656942 168087265 /nfs/dbraw/zinc/08/72/65/168087265.db2.gz JCSUQQOAHQRPBF-UHFFFAOYSA-N 0 0 242.318 3.818 10 30 BHEERN [N-]=[N+]=Nc1ccc2cc3ccc(N)cc3nc2c1 ZINC000027900320 188283840 /nfs/dbraw/zinc/28/38/40/188283840.db2.gz LXIDUWLQUWFBSZ-UHFFFAOYSA-N 0 0 235.250 3.912 10 30 BHEERN C=CCNC1c2ccccc2Oc2ccccc21 ZINC000028231661 166399394 /nfs/dbraw/zinc/39/93/94/166399394.db2.gz TUGDGXHNPTXMSW-UHFFFAOYSA-N 0 0 237.302 3.657 10 30 BHEERN C=CCCCCC/C=C\CC#CC#C[C@@H](O)C=C ZINC000028537738 188234053 /nfs/dbraw/zinc/23/40/53/188234053.db2.gz JRLHSTVTOOELAF-MQNTZWLQSA-N 0 0 242.362 3.623 10 30 biogenic BHEERN C=CCCCCC/C=C\CC#CC#C[C@H](O)C=C ZINC000028537743 290785767 /nfs/dbraw/zinc/78/57/67/290785767.db2.gz JRLHSTVTOOELAF-QXPKXGMISA-N 0 0 242.362 3.623 10 30 biogenic,in-vitro BHEERN C=C(C)[C@H]1CCC2=CC(=O)C[C@@H](C)[C@@]2(C)C1 ZINC000028540927 187255725 /nfs/dbraw/zinc/25/57/25/187255725.db2.gz WTOYNNBCKUYIKC-TYNCELHUSA-N 0 0 218.340 3.904 10 30 BHEERN COc1ccc2cc(CC/C(C)=N/O)ccc2c1 ZINC000028568500 175225133 /nfs/dbraw/zinc/22/51/33/175225133.db2.gz OJRWGQXBZXMJQI-LFIBNONCSA-N 0 0 243.306 3.631 10 30 BHEERN C=CC(=O)c1ccc(CCCCC)cc1 ZINC000028863251 187320728 /nfs/dbraw/zinc/32/07/28/187320728.db2.gz AEFUUKXMGFAFGE-UHFFFAOYSA-N 0 0 202.297 3.788 10 30 BHEERN C=C(Cc1ccccc1)C(=O)c1ccsc1 ZINC000029243003 344515805 /nfs/dbraw/zinc/51/58/05/344515805.db2.gz IPBKSFACAOIGOI-UHFFFAOYSA-N 0 0 228.316 3.730 10 30 BHEERN C=C(C(=O)c1cccs1)c1ccccc1 ZINC000029252678 360418666 /nfs/dbraw/zinc/41/86/66/360418666.db2.gz SYULNVQABCAECY-UHFFFAOYSA-N 0 0 214.289 3.644 10 30 BHEERN CC(=O)/C=C/C=C1/[C@H]2CC[C@H](C2)C1(C)C ZINC000030690744 343194247 /nfs/dbraw/zinc/19/42/47/343194247.db2.gz WDMFHQNUSVLQMS-FSZGTJMISA-N 0 0 204.313 3.514 10 30 in-man BHEERN SCc1csc(-c2ccccc2Cl)n1 ZINC000031890204 183315939 /nfs/dbraw/zinc/31/59/39/183315939.db2.gz RPJNGXRFXHJFLD-UHFFFAOYSA-N 0 0 241.768 3.893 10 30 BHEERN CC(C)c1ccc(C2=CC(=O)CC2)cc1 ZINC000032009904 352733067 /nfs/dbraw/zinc/73/30/67/352733067.db2.gz UTOJFHIVLKMCGC-UHFFFAOYSA-N 0 0 200.281 3.556 10 30 BHEERN CC(C)c1ccccc1N[C@H](C)CC#N ZINC000032010116 167641657 /nfs/dbraw/zinc/64/16/57/167641657.db2.gz KUKKQGZVTICMDV-LLVKDONJSA-N 0 0 202.301 3.524 10 30 BHEERN CC(C)(C)c1ccc(C2=CC(=O)CC2)cc1 ZINC000032012954 188357978 /nfs/dbraw/zinc/35/79/78/188357978.db2.gz BPLPHBYCIBDUPH-UHFFFAOYSA-N 0 0 214.308 3.730 10 30 BHEERN C[C@@H](CC#N)Nc1ccc(C(C)(C)C)cc1 ZINC000032013149 175638702 /nfs/dbraw/zinc/63/87/02/175638702.db2.gz NHEUOZPXCICDPE-NSHDSACASA-N 0 0 216.328 3.698 10 30 BHEERN C[C@@H](C#N)CNc1ccccc1C(C)(C)C ZINC000032013154 175597215 /nfs/dbraw/zinc/59/72/15/175597215.db2.gz PYRVAGZSBHELKI-NSHDSACASA-N 0 0 216.328 3.556 10 30 BHEERN C[C@@H](C#N)CNc1ccc(C(C)(C)C)cc1 ZINC000032013156 175596952 /nfs/dbraw/zinc/59/69/52/175596952.db2.gz DLYNLGKEPKMINC-NSHDSACASA-N 0 0 216.328 3.556 10 30 BHEERN C[C@@H](CC#N)Nc1ccc(Cl)c(Cl)c1 ZINC000032015713 352736333 /nfs/dbraw/zinc/73/63/33/352736333.db2.gz BJCYUNNKFVLDFC-ZETCQYMHSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@H](CC#N)Nc1ccc(Cl)c(Cl)c1 ZINC000032015714 176597413 /nfs/dbraw/zinc/59/74/13/176597413.db2.gz BJCYUNNKFVLDFC-SSDOTTSWSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@@H](CC#N)Nc1cc(Cl)ccc1Cl ZINC000032015715 352736259 /nfs/dbraw/zinc/73/62/59/352736259.db2.gz BQDMNFVRAGDOGQ-ZETCQYMHSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@H](CC#N)Nc1cc(Cl)ccc1Cl ZINC000032015716 352736225 /nfs/dbraw/zinc/73/62/25/352736225.db2.gz BQDMNFVRAGDOGQ-SSDOTTSWSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@@H](CC#N)Nc1cccc(Cl)c1Cl ZINC000032015719 175639071 /nfs/dbraw/zinc/63/90/71/175639071.db2.gz PBOMSYOANFQDBN-ZETCQYMHSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@H](CC#N)Nc1cccc(Cl)c1Cl ZINC000032015720 352736327 /nfs/dbraw/zinc/73/63/27/352736327.db2.gz PBOMSYOANFQDBN-SSDOTTSWSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@H](C#N)CNc1ccc(Cl)c(Cl)c1 ZINC000032015721 176553555 /nfs/dbraw/zinc/55/35/55/176553555.db2.gz HQXJVELIJGRBIX-SSDOTTSWSA-N 0 0 229.110 3.565 10 30 BHEERN C[C@H](C#N)CNc1cc(Cl)ccc1Cl ZINC000032015723 176553762 /nfs/dbraw/zinc/55/37/62/176553762.db2.gz ZAKRZDBIHFIECT-SSDOTTSWSA-N 0 0 229.110 3.565 10 30 BHEERN C[C@H](C#N)CNc1cc(Cl)cc(Cl)c1 ZINC000032015725 176554190 /nfs/dbraw/zinc/55/41/90/176554190.db2.gz CVCRVCGNXIZGHF-SSDOTTSWSA-N 0 0 229.110 3.565 10 30 BHEERN C[C@H](C#N)CNc1cccc(Cl)c1Cl ZINC000032015727 352736294 /nfs/dbraw/zinc/73/62/94/352736294.db2.gz YTCDAWBWHTXHLM-SSDOTTSWSA-N 0 0 229.110 3.565 10 30 BHEERN C[C@@H](C#N)CNc1cccc(Cl)c1Cl ZINC000032015728 175597256 /nfs/dbraw/zinc/59/72/56/175597256.db2.gz YTCDAWBWHTXHLM-ZETCQYMHSA-N 0 0 229.110 3.565 10 30 BHEERN Clc1ccc(/C=N/Cc2ccccc2)cc1 ZINC000032163525 180578289 /nfs/dbraw/zinc/57/82/89/180578289.db2.gz BZBIJDZJMFLHDK-LFIBNONCSA-N 0 0 229.710 3.959 10 30 BHEERN CC(S)(c1ccccc1)c1ccccc1 ZINC000032207081 345751007 /nfs/dbraw/zinc/75/10/07/345751007.db2.gz VYCYXDOJCCIXIM-UHFFFAOYSA-N 0 0 214.333 3.880 10 30 BHEERN Cc1ccc([C@H]2O[C@@H]2c2ccccc2)cc1 ZINC000032221814 345757411 /nfs/dbraw/zinc/75/74/11/345757411.db2.gz JAWOIWRBSDJRCX-HUUCEWRRSA-N 0 0 210.276 3.808 10 30 BHEERN C=CCOc1cc2ccccc2cc1OCC=C ZINC000032234591 372164612 /nfs/dbraw/zinc/16/46/12/372164612.db2.gz LRPFYMFWZDACNM-UHFFFAOYSA-N 0 0 240.302 3.969 10 30 BHEERN CC1=C2CC[C@@H](C)[C@H]2[C@H]2[C@@H](CC1=O)C2(C)C ZINC000032296175 560089354 /nfs/dbraw/zinc/08/93/54/560089354.db2.gz FUIPJCVSKAWFTI-KLPZLMTLSA-N 0 0 218.340 3.594 10 30 biogenic,in-vitro BHEERN C=CCOc1c(C)cc(Br)cc1C ZINC000032301991 356697805 /nfs/dbraw/zinc/69/78/05/356697805.db2.gz HOODMSZVHBIEJT-UHFFFAOYSA-N 0 0 241.128 3.631 10 30 BHEERN O=C(/C=C\c1ccco1)/C=C\c1ccccc1 ZINC000033337059 487664802 /nfs/dbraw/zinc/66/48/02/487664802.db2.gz RJNMUTDRDATJLP-XESWYYRISA-N 0 0 224.259 3.575 10 30 BHEERN O=C(/C=C/c1ccccc1)/C=C\c1ccco1 ZINC000033337060 487664867 /nfs/dbraw/zinc/66/48/67/487664867.db2.gz RJNMUTDRDATJLP-OCBXPSTGSA-N 0 0 224.259 3.575 10 30 BHEERN O=C(/C=C/c1ccco1)/C=C\c1ccccc1 ZINC000033337061 487664840 /nfs/dbraw/zinc/66/48/40/487664840.db2.gz RJNMUTDRDATJLP-QNRZBPGKSA-N 0 0 224.259 3.575 10 30 BHEERN [N-]=[N+]=Nc1nc2ccccc2n1-c1ccccc1 ZINC000033373848 187392379 /nfs/dbraw/zinc/39/23/79/187392379.db2.gz RQZWPGNGQGYXPZ-UHFFFAOYSA-N 0 0 235.250 3.967 10 30 BHEERN CC(=O)/C=C\c1sc2ccccc2c1C ZINC000033376454 343252550 /nfs/dbraw/zinc/25/25/50/343252550.db2.gz WJERVYGWRAEGNK-FPLPWBNLSA-N 0 0 216.305 3.812 10 30 BHEERN [N-]=[N+]=Nc1cc(Cl)c2ccccc2n1 ZINC000033376511 187256511 /nfs/dbraw/zinc/25/65/11/187256511.db2.gz QZZNHNSFGWCCTF-UHFFFAOYSA-N 0 0 204.620 3.830 10 30 BHEERN N#CCc1ccc2oc(-c3ccccc3)nc2c1 ZINC000033420354 181048847 /nfs/dbraw/zinc/04/88/47/181048847.db2.gz ROZRMLVDMACJMT-UHFFFAOYSA-N 0 0 234.258 3.561 10 30 BHEERN N#CCc1ccc2nc(-c3ccccc3)oc2c1 ZINC000033420382 181048956 /nfs/dbraw/zinc/04/89/56/181048956.db2.gz GEJDTYYMHJURCY-UHFFFAOYSA-N 0 0 234.258 3.561 10 30 BHEERN C[C@@H](CC#N)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000033426651 187766080 /nfs/dbraw/zinc/76/60/80/187766080.db2.gz PCGXTEPPWHYEDZ-NSHDSACASA-N 0 0 229.323 3.717 10 30 BHEERN C[C@@H](CC#N)C(=O)c1ccc(Cl)cc1Cl ZINC000033426663 187593612 /nfs/dbraw/zinc/59/36/12/187593612.db2.gz YTSWJVHLBGLYEI-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@H](CC#N)C(=O)c1ccc(Cl)cc1Cl ZINC000033426664 344741412 /nfs/dbraw/zinc/74/14/12/344741412.db2.gz YTSWJVHLBGLYEI-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@@H](CC#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000033426666 187593827 /nfs/dbraw/zinc/59/38/27/187593827.db2.gz HLDZVICSWDYHSC-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@H](CC#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000033426667 344741342 /nfs/dbraw/zinc/74/13/42/344741342.db2.gz HLDZVICSWDYHSC-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN CC(C)c1ccc(C(=O)C[C@@H](C)C#N)cc1 ZINC000033426712 188011309 /nfs/dbraw/zinc/01/13/09/188011309.db2.gz JRZUIBHDWUDLRD-LLVKDONJSA-N 0 0 215.296 3.542 10 30 BHEERN CC(C)c1ccc(C(=O)C[C@H](C)C#N)cc1 ZINC000033426714 187321388 /nfs/dbraw/zinc/32/13/88/187321388.db2.gz JRZUIBHDWUDLRD-NSHDSACASA-N 0 0 215.296 3.542 10 30 BHEERN C[C@@H](C#N)CC(=O)c1c(Cl)cccc1Cl ZINC000033426733 518176073 /nfs/dbraw/zinc/17/60/73/518176073.db2.gz TXJQYSOSDQMFMT-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@H](C#N)CC(=O)c1ccc(Cl)cc1Cl ZINC000033426735 344741681 /nfs/dbraw/zinc/74/16/81/344741681.db2.gz RCZWICOHXUQNKF-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@@H](C#N)CC(=O)c1ccc(Cl)cc1Cl ZINC000033426737 344741368 /nfs/dbraw/zinc/74/13/68/344741368.db2.gz RCZWICOHXUQNKF-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@H](C#N)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000033426739 176551983 /nfs/dbraw/zinc/55/19/83/176551983.db2.gz UKCIBKSWBCSEAT-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@@H](C#N)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000033426740 344741506 /nfs/dbraw/zinc/74/15/06/344741506.db2.gz UKCIBKSWBCSEAT-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN N#CCCNc1cc(Cl)c(Cl)cc1Cl ZINC000033435162 344745403 /nfs/dbraw/zinc/74/54/03/344745403.db2.gz WPQCSYVZOFIBDQ-UHFFFAOYSA-N 0 0 249.528 3.972 10 30 BHEERN CCOc1ccc(-c2ccc(CC#N)cc2)cc1 ZINC000033466060 582673702 /nfs/dbraw/zinc/67/37/02/582673702.db2.gz YGPWBSVAFIGPJI-UHFFFAOYSA-N 0 0 237.302 3.818 10 30 BHEERN N#Cc1cccc([C@@H]2Nc3ccccc3S2)c1 ZINC000033493664 345799831 /nfs/dbraw/zinc/79/98/31/345799831.db2.gz WVQCOBFNQKDELC-CQSZACIVSA-N 0 0 238.315 3.775 10 30 BHEERN N#Cc1cccc([C@H]2Nc3ccccc3S2)c1 ZINC000033493665 345799835 /nfs/dbraw/zinc/79/98/35/345799835.db2.gz WVQCOBFNQKDELC-AWEZNQCLSA-N 0 0 238.315 3.775 10 30 BHEERN N#Cc1ccc(Cl)c(Cl)c1Cl ZINC000033505707 344807215 /nfs/dbraw/zinc/80/72/15/344807215.db2.gz BECLFYHEMQTGQV-UHFFFAOYSA-N 0 0 206.459 3.518 10 30 BHEERN Cc1ccc(/C=C\C(=O)c2ccc(F)cc2)o1 ZINC000033704837 178357681 /nfs/dbraw/zinc/35/76/81/178357681.db2.gz WCFPLTFZUCXEDH-HJWRWDBZSA-N 0 0 230.238 3.623 10 30 BHEERN CCOc1ccc(C(=O)/C=C\c2ccco2)cc1 ZINC000033785745 343261252 /nfs/dbraw/zinc/26/12/52/343261252.db2.gz PGGLZCHHNHKVKW-KTKRTIGZSA-N 0 0 242.274 3.574 10 30 BHEERN N#CCc1cc(Br)c2ccccc2c1 ZINC000033800599 181046682 /nfs/dbraw/zinc/04/66/82/181046682.db2.gz SUMAJOULTIGOOM-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN CCCC/C=C/C=C/C=C/C#CC#CCCCO ZINC000033830167 560088882 /nfs/dbraw/zinc/08/88/82/560088882.db2.gz OGSBOMXZSBQDPF-SUTYWZMXSA-N 0 0 242.362 3.625 10 30 biogenic,in-vitro BHEERN C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12 ZINC000033831130 560088519 /nfs/dbraw/zinc/08/85/19/560088519.db2.gz BOPIMTNSYWYZOC-UMVBOHGHSA-N 0 0 222.372 3.920 10 30 biogenic,in-vitro BHEERN C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)C(=C)[C@@H]2C1 ZINC000033831980 574414114 /nfs/dbraw/zinc/41/41/14/574414114.db2.gz CZFHAODYOVXPIQ-CBBWQLFWSA-N 0 0 220.356 3.696 10 30 endogenous,in-man BHEERN N#Cc1cccc(/C=C/c2ccccc2)c1 ZINC000033847006 345812346 /nfs/dbraw/zinc/81/23/46/345812346.db2.gz CWLWKFGHSCEUQB-MDZDMXLPSA-N 0 0 205.260 3.729 10 30 BHEERN C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1 ZINC000033950707 574414139 /nfs/dbraw/zinc/41/41/39/574414139.db2.gz DPQYOKVMVCQHMY-KBXIAJHMSA-N 0 0 222.372 3.920 10 30 endogenous,in-man BHEERN C=C1CCC[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000033950767 259410333 /nfs/dbraw/zinc/41/03/33/259410333.db2.gz BOPIMTNSYWYZOC-GZBFAFLISA-N 0 0 222.372 3.920 10 30 BHEERN N#C[C@H](c1ccsc1)C1CCCCC1 ZINC000033986628 188098938 /nfs/dbraw/zinc/09/89/38/188098938.db2.gz LGYQFTRQQFYQBS-LBPRGKRZSA-N 0 0 205.326 3.936 10 30 BHEERN Cc1cc(N=[N+]=[N-])c2cc(F)cc(F)c2n1 ZINC000034080472 178124465 /nfs/dbraw/zinc/12/44/65/178124465.db2.gz VYWPYUQNSLOOIG-UHFFFAOYSA-N 0 0 220.182 3.763 10 30 BHEERN Fc1ccc(/C=N/c2ccccc2)c(F)c1 ZINC000034087640 345816197 /nfs/dbraw/zinc/81/61/97/345816197.db2.gz FCCCTASXHUHOTQ-CXUHLZMHSA-N 0 0 217.218 3.715 10 30 BHEERN O=CCCc1ccc(Oc2ccccc2)cc1 ZINC000034090620 385272984 /nfs/dbraw/zinc/27/29/84/385272984.db2.gz YWWSTWLNICEXHR-UHFFFAOYSA-N 0 0 226.275 3.610 10 30 BHEERN CSc1ccc(C(=O)C=C(C)C)cc1 ZINC000034116421 346200516 /nfs/dbraw/zinc/20/05/16/346200516.db2.gz YXKGEZMHVAGSTQ-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN C[C@@H](C1CC1)[C@]1(c2ccc(Cl)cc2)CO1 ZINC000034142796 350256944 /nfs/dbraw/zinc/25/69/44/350256944.db2.gz QKTOXOPFYCOLPV-ZANVPECISA-N 0 0 222.715 3.612 10 30 BHEERN C[C@H](C1CC1)[C@]1(c2ccc(Cl)cc2)CO1 ZINC000034142797 346209023 /nfs/dbraw/zinc/20/90/23/346209023.db2.gz QKTOXOPFYCOLPV-RNCFNFMXSA-N 0 0 222.715 3.612 10 30 BHEERN C[C@@H](C1CC1)[C@@]1(c2ccc(Cl)cc2)CO1 ZINC000034142798 346209021 /nfs/dbraw/zinc/20/90/21/346209021.db2.gz QKTOXOPFYCOLPV-TVQRCGJNSA-N 0 0 222.715 3.612 10 30 BHEERN C[C@H](C1CC1)[C@@]1(c2ccc(Cl)cc2)CO1 ZINC000034142799 176593505 /nfs/dbraw/zinc/59/35/05/176593505.db2.gz QKTOXOPFYCOLPV-NOZJJQNGSA-N 0 0 222.715 3.612 10 30 BHEERN C=C(C(=O)c1ccc(Cl)cc1)C(F)(F)F ZINC000034146864 343265523 /nfs/dbraw/zinc/26/55/23/343265523.db2.gz AFKSKKITAMWMLZ-UHFFFAOYSA-N 0 0 234.604 3.641 10 30 BHEERN C=C[C@@](C)(O)c1ccc2c(c1)C(C)(C)CCS2 ZINC000034164776 343265499 /nfs/dbraw/zinc/26/54/99/343265499.db2.gz ZTVLPPLXSCVPEK-OAHLLOKOSA-N 0 0 248.391 3.854 10 30 BHEERN C=C[C@](C)(O)c1ccc2c(c1)C(C)(C)CCS2 ZINC000034164777 398343216 /nfs/dbraw/zinc/34/32/16/398343216.db2.gz ZTVLPPLXSCVPEK-HNNXBMFYSA-N 0 0 248.391 3.854 10 30 BHEERN C=CCCCC[C@H](O)[C@H](C)OCc1ccccc1 ZINC000034183053 345818970 /nfs/dbraw/zinc/81/89/70/345818970.db2.gz WASQIONXDFPYPG-HOCLYGCPSA-N 0 0 248.366 3.699 10 30 BHEERN C[C@H]1CC(=O)C=C(Nc2ccc(Cl)cc2)C1 ZINC000034218175 343266651 /nfs/dbraw/zinc/26/66/51/343266651.db2.gz YPHPEIMMVSEBTK-SECBINFHSA-N 0 0 235.714 3.635 10 30 BHEERN C[C@@H]1CC(=O)C=C(Nc2ccc(Cl)cc2)C1 ZINC000034218176 187257227 /nfs/dbraw/zinc/25/72/27/187257227.db2.gz YPHPEIMMVSEBTK-VIFPVBQESA-N 0 0 235.714 3.635 10 30 BHEERN SCc1cccc(Oc2ccccc2)c1 ZINC000034277505 646550423 /nfs/dbraw/zinc/55/04/23/646550423.db2.gz BBYMAHJPOVVDMU-UHFFFAOYSA-N 0 0 216.305 3.909 10 30 BHEERN Cc1ccc(CC#N)c(OCc2ccccc2)c1 ZINC000034309554 345820949 /nfs/dbraw/zinc/82/09/49/345820949.db2.gz XBJPPEVRBVFEDQ-UHFFFAOYSA-N 0 0 237.302 3.640 10 30 BHEERN C=C(CCc1ccccc1)C(=O)OC(C)(C)C ZINC000034317961 345820946 /nfs/dbraw/zinc/82/09/46/345820946.db2.gz RALWXTSRGAULEB-UHFFFAOYSA-N 0 0 232.323 3.517 10 30 BHEERN C/C(=N\c1ccccc1C#N)c1ccccc1 ZINC000034319907 345820992 /nfs/dbraw/zinc/82/09/92/345820992.db2.gz OMHMEBIEHIWASG-SFQUDFHCSA-N 0 0 220.275 3.699 10 30 BHEERN C/C(=N\c1ccccc1C#N)c1cccs1 ZINC000034319910 345821132 /nfs/dbraw/zinc/82/11/32/345821132.db2.gz RGSKLVSWPZNGPR-XNTDXEJSSA-N 0 0 226.304 3.760 10 30 BHEERN N#CCc1ccc2cccc(Br)c2c1 ZINC000034347632 346250154 /nfs/dbraw/zinc/25/01/54/346250154.db2.gz NPKPNXSRHQJEEU-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN N#CCc1ccc2c(Cl)cccc2c1 ZINC000034347636 346250149 /nfs/dbraw/zinc/25/01/49/346250149.db2.gz ZQSMKQADCASLCG-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN N#Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000034364933 345823803 /nfs/dbraw/zinc/82/38/03/345823803.db2.gz HCDONZAXEMNERG-UHFFFAOYSA-N 0 0 239.118 3.596 10 30 BHEERN C=CCOc1ccc(-c2ccc(O)cc2)cc1 ZINC000034371043 346253781 /nfs/dbraw/zinc/25/37/81/346253781.db2.gz YEVKAVZXLAYGPZ-UHFFFAOYSA-N 0 0 226.275 3.624 10 30 BHEERN N#CC1c2ccccc2C=Cc2ccccc21 ZINC000034412151 181033180 /nfs/dbraw/zinc/03/31/80/181033180.db2.gz LCVQTDUGLFVCGP-UHFFFAOYSA-N 0 0 217.271 3.826 10 30 BHEERN C=C(CCCCc1ccccc1)C(=O)OCC ZINC000034416762 345828816 /nfs/dbraw/zinc/82/88/16/345828816.db2.gz GRFGNTHEYGVJEG-UHFFFAOYSA-N 0 0 232.323 3.519 10 30 BHEERN COc1ccc2cccc3c2c1CC[C@@H]3CC#N ZINC000034417180 345828701 /nfs/dbraw/zinc/82/87/01/345828701.db2.gz UXQKKPMFRWKGEY-LLVKDONJSA-N 0 0 237.302 3.792 10 30 BHEERN COc1ccc2cccc3c2c1CC[C@H]3CC#N ZINC000034417181 345828452 /nfs/dbraw/zinc/82/84/52/345828452.db2.gz UXQKKPMFRWKGEY-NSHDSACASA-N 0 0 237.302 3.792 10 30 BHEERN CC(C)[C@H]1C=Cc2ccccc2[C@@H]1CC=O ZINC000034431440 345832687 /nfs/dbraw/zinc/83/26/87/345832687.db2.gz HCXWRTCORSLRDV-UKRRQHHQSA-N 0 0 214.308 3.658 10 30 BHEERN Cc1ccccc1C(=NO)c1ccccc1C ZINC000034431982 345832631 /nfs/dbraw/zinc/83/26/31/345832631.db2.gz BJYDQNYKCCLENM-UHFFFAOYSA-N 0 0 225.291 3.530 10 30 BHEERN Cc1ccsc1/C(=N/O)c1ccccc1C ZINC000034432322 345833421 /nfs/dbraw/zinc/83/34/21/345833421.db2.gz IJHLLQSUHSVDDX-WYMLVPIESA-N 0 0 231.320 3.592 10 30 BHEERN N#CCn1c(-c2ccccc2)cc2ccccc21 ZINC000034432426 343270818 /nfs/dbraw/zinc/27/08/18/343270818.db2.gz RDOHAPJSPNOPLT-UHFFFAOYSA-N 0 0 232.286 3.832 10 30 BHEERN C[C@@H](C#N)c1ccccc1OCc1ccccc1 ZINC000034454663 350171522 /nfs/dbraw/zinc/17/15/22/350171522.db2.gz KAEMHYXYPPYCFA-ZDUSSCGKSA-N 0 0 237.302 3.893 10 30 BHEERN C[C@H](C#N)c1ccccc1OCc1ccccc1 ZINC000034454664 350171417 /nfs/dbraw/zinc/17/14/17/350171417.db2.gz KAEMHYXYPPYCFA-CYBMUJFWSA-N 0 0 237.302 3.893 10 30 BHEERN CCCNc1ccc(C#N)c2ccccc12 ZINC000034455546 346288250 /nfs/dbraw/zinc/28/82/50/346288250.db2.gz NHXVWJUXXWAXMR-UHFFFAOYSA-N 0 0 210.280 3.533 10 30 BHEERN C=CC[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000034456155 356702503 /nfs/dbraw/zinc/70/25/03/356702503.db2.gz MFSVINZOKPVVIQ-MRXNPFEDSA-N 0 0 238.330 3.756 10 30 BHEERN C=CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000034464148 187208666 /nfs/dbraw/zinc/20/86/66/187208666.db2.gz ZRXZARIDOWOPFF-ZDUSSCGKSA-N 0 0 247.338 3.829 10 30 BHEERN CCCC#CCCSc1ccccc1O ZINC000034482431 345835177 /nfs/dbraw/zinc/83/51/77/345835177.db2.gz GAVPMAWSXGHVJP-UHFFFAOYSA-N 0 0 220.337 3.678 10 30 BHEERN N#CCC[C@@](C#N)(c1ccccc1)C1CCCC1 ZINC000034493545 345829357 /nfs/dbraw/zinc/82/93/57/345829357.db2.gz PDWGMYYWCXQVSA-MRXNPFEDSA-N 0 0 238.334 3.942 10 30 BHEERN N#CCC[C@](C#N)(c1ccccc1)C1CCCC1 ZINC000034493546 345829312 /nfs/dbraw/zinc/82/93/12/345829312.db2.gz PDWGMYYWCXQVSA-INIZCTEOSA-N 0 0 238.334 3.942 10 30 BHEERN CC1(C)CC=C(Sc2ccccc2)C1=O ZINC000034504160 346656800 /nfs/dbraw/zinc/65/68/00/346656800.db2.gz BWLUNDMMBCBENX-UHFFFAOYSA-N 0 0 218.321 3.662 10 30 BHEERN N#Cc1cc2cc(O)ccc2c(-c2ccoc2)c1 ZINC000034506632 368323688 /nfs/dbraw/zinc/32/36/88/368323688.db2.gz WYUPDTVRGPHHOZ-UHFFFAOYSA-N 0 0 235.242 3.677 10 30 BHEERN C=C(C)c1ccc(OC)cc1C(=O)c1ccoc1 ZINC000034507367 188098656 /nfs/dbraw/zinc/09/86/56/188098656.db2.gz NQBYEFQXZMHRMM-UHFFFAOYSA-N 0 0 242.274 3.552 10 30 BHEERN Cc1ccc2cccc(C#N)c2c1Br ZINC000034507622 346660618 /nfs/dbraw/zinc/66/06/18/346660618.db2.gz GOZXZQPZIRRYOT-UHFFFAOYSA-N 0 0 246.107 3.782 10 30 BHEERN CCC#Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CC ZINC000034507657 345829882 /nfs/dbraw/zinc/82/98/82/345829882.db2.gz XMZFJKQYNRJZEG-NSHDSACASA-N 0 0 246.310 3.567 10 30 BHEERN CCC#Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CC ZINC000034507658 345829875 /nfs/dbraw/zinc/82/98/75/345829875.db2.gz XMZFJKQYNRJZEG-LLVKDONJSA-N 0 0 246.310 3.567 10 30 BHEERN Cc1ccccc1-c1cc(Cl)ncc1C#N ZINC000034511014 179235908 /nfs/dbraw/zinc/23/59/08/179235908.db2.gz JBOJBRDWKDVJOL-UHFFFAOYSA-N 0 0 228.682 3.582 10 30 BHEERN Cc1ccccc1-c1ccccc1O[C@@H](C)C#N ZINC000034511198 345830324 /nfs/dbraw/zinc/83/03/24/345830324.db2.gz RUXLHPAMAPOMMT-ZDUSSCGKSA-N 0 0 237.302 3.953 10 30 BHEERN Cc1ccccc1-c1ccccc1O[C@H](C)C#N ZINC000034511199 345830116 /nfs/dbraw/zinc/83/01/16/345830116.db2.gz RUXLHPAMAPOMMT-CYBMUJFWSA-N 0 0 237.302 3.953 10 30 BHEERN O=CCCCCCOCCCCc1ccccc1 ZINC000034511466 350107620 /nfs/dbraw/zinc/10/76/20/350107620.db2.gz REAWJYMPCIAHCN-UHFFFAOYSA-N 0 0 248.366 3.785 10 30 BHEERN C=CCOc1ccc(Oc2ccccc2)cc1N ZINC000034522226 345831167 /nfs/dbraw/zinc/83/11/67/345831167.db2.gz BCGRGPRVNJZNRS-UHFFFAOYSA-N 0 0 241.290 3.626 10 30 BHEERN CC1=Cc2c(c(C)c(C)c(C)c2C)C1=O ZINC000034534861 168132591 /nfs/dbraw/zinc/13/25/91/168132591.db2.gz AZGQNHFBNFLOOP-UHFFFAOYSA-N 0 0 200.281 3.520 10 30 BHEERN CCC(=O)[C@@H](C#N)c1ccc(Cl)cc1Cl ZINC000034543039 168250605 /nfs/dbraw/zinc/25/06/05/168250605.db2.gz OAXQBFZOFCKPEV-VIFPVBQESA-N 0 0 242.105 3.580 10 30 BHEERN CCC(=O)[C@H](C#N)c1ccc(Cl)cc1Cl ZINC000034543040 168251978 /nfs/dbraw/zinc/25/19/78/168251978.db2.gz OAXQBFZOFCKPEV-SECBINFHSA-N 0 0 242.105 3.580 10 30 BHEERN CCCN(CC1CC1)c1ccc(C#N)c(Cl)c1 ZINC000034547080 346911013 /nfs/dbraw/zinc/91/10/13/346911013.db2.gz MOJLNYMTTQWIIY-UHFFFAOYSA-N 0 0 248.757 3.838 10 30 BHEERN CSc1ccccc1/N=C/c1ccccn1 ZINC000034548752 343274757 /nfs/dbraw/zinc/27/47/57/343274757.db2.gz HSCZIBVUQMASHW-XNTDXEJSSA-N 0 0 228.320 3.554 10 30 BHEERN Cc1ccccc1/C=C1\Oc2ccccc2C1=O ZINC000034552369 179244163 /nfs/dbraw/zinc/24/41/63/179244163.db2.gz QVMQWLKXQNDXNR-GDNBJRDFSA-N 0 0 236.270 3.611 10 30 BHEERN C#CCCCCCCCCO[C@@H]1CCCCO1 ZINC000034558179 345831363 /nfs/dbraw/zinc/83/13/63/345831363.db2.gz OAZCKVPRWOHUOE-HNNXBMFYSA-N 0 0 238.371 3.894 10 30 BHEERN C#CCCCCCCCCO[C@H]1CCCCO1 ZINC000034558181 345831401 /nfs/dbraw/zinc/83/14/01/345831401.db2.gz OAZCKVPRWOHUOE-OAHLLOKOSA-N 0 0 238.371 3.894 10 30 BHEERN C=CCC1=C(CCC)C(=O)O[C@@H]1c1ccccc1 ZINC000034564804 188061013 /nfs/dbraw/zinc/06/10/13/188061013.db2.gz OWZCJEPZAPXMML-OAHLLOKOSA-N 0 0 242.318 3.957 10 30 BHEERN N#Cc1ccccc1/C=C/c1ccccc1 ZINC000034574129 355847047 /nfs/dbraw/zinc/84/70/47/355847047.db2.gz USLPZCOPYRKTGY-ZHACJKMWSA-N 0 0 205.260 3.729 10 30 BHEERN Cc1ccc(C(=NO)c2ccc(C)cc2)cc1 ZINC000034586485 347118191 /nfs/dbraw/zinc/11/81/91/347118191.db2.gz MVFAARYRSUJHJD-UHFFFAOYSA-N 0 0 225.291 3.530 10 30 BHEERN C#Cc1ccc2c(ccn2-c2ccc(F)cc2)c1 ZINC000034586748 345834218 /nfs/dbraw/zinc/83/42/18/345834218.db2.gz JYMNAFXVQBYYHV-UHFFFAOYSA-N 0 0 235.261 3.751 10 30 BHEERN Cc1cccc(-c2snc(Cl)c2C#N)c1 ZINC000034591821 179000432 /nfs/dbraw/zinc/00/04/32/179000432.db2.gz ALLXZDRSMDXMRB-UHFFFAOYSA-N 0 0 234.711 3.644 10 30 BHEERN Cc1ccccc1-c1snc(Cl)c1C#N ZINC000034606675 179240612 /nfs/dbraw/zinc/24/06/12/179240612.db2.gz OMTKWCYSKGPKQU-UHFFFAOYSA-N 0 0 234.711 3.644 10 30 BHEERN CC[C@H](C#N)c1ccc(CC(C)C)cc1 ZINC000034614544 171221543 /nfs/dbraw/zinc/22/15/43/171221543.db2.gz LCHXWMKPXFAYFI-CYBMUJFWSA-N 0 0 201.313 3.902 10 30 BHEERN C[C@@H](Cc1ccccc1)[C@@H](C#N)c1cccnc1 ZINC000034618352 345838444 /nfs/dbraw/zinc/83/84/44/345838444.db2.gz XWFYSWKLOAPRGH-XJKSGUPXSA-N 0 0 236.318 3.568 10 30 BHEERN C[C@H](Cc1ccccc1)[C@@H](C#N)c1cccnc1 ZINC000034618354 345838636 /nfs/dbraw/zinc/83/86/36/345838636.db2.gz XWFYSWKLOAPRGH-CZUORRHYSA-N 0 0 236.318 3.568 10 30 BHEERN C[C@@H](Cc1ccccc1)[C@H](C#N)c1cccnc1 ZINC000034618356 345838527 /nfs/dbraw/zinc/83/85/27/345838527.db2.gz XWFYSWKLOAPRGH-BBRMVZONSA-N 0 0 236.318 3.568 10 30 BHEERN C[C@H](Cc1ccccc1)[C@H](C#N)c1cccnc1 ZINC000034618358 345838401 /nfs/dbraw/zinc/83/84/01/345838401.db2.gz XWFYSWKLOAPRGH-CJNGLKHVSA-N 0 0 236.318 3.568 10 30 BHEERN CSC(=CC(=O)c1cccc(C)c1)SC ZINC000034727226 134601592 /nfs/dbraw/zinc/60/15/92/134601592.db2.gz XQBYFCNURYSNJE-UHFFFAOYSA-N 0 0 238.377 3.745 10 30 BHEERN N#Cc1cc(C(F)(F)F)cc(Cl)c1Cl ZINC000034744543 343278001 /nfs/dbraw/zinc/27/80/01/343278001.db2.gz QIQGUVQYKWGKPM-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN CCc1ccc2scc(CC#N)c2c1 ZINC000034745794 398015487 /nfs/dbraw/zinc/01/54/87/398015487.db2.gz HWONSBWFASAZNW-UHFFFAOYSA-N 0 0 201.294 3.530 10 30 BHEERN N#Cc1ccc(-c2cc3ccccn3c2)s1 ZINC000034778200 181094941 /nfs/dbraw/zinc/09/49/41/181094941.db2.gz MKOACWMUYIYNEI-UHFFFAOYSA-N 0 0 224.288 3.539 10 30 BHEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCC#N ZINC000034790062 188284873 /nfs/dbraw/zinc/28/48/73/188284873.db2.gz ZTUFTHQWHNOWRH-MGPQQGTHSA-N 0 0 223.360 3.768 10 30 BHEERN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCC#N ZINC000034790069 187766497 /nfs/dbraw/zinc/76/64/97/187766497.db2.gz ZTUFTHQWHNOWRH-HZSPNIEDSA-N 0 0 223.360 3.768 10 30 BHEERN c1ccc2c(c1)cccc2NC1=NCCCS1 ZINC000034936987 351351189 /nfs/dbraw/zinc/35/11/89/351351189.db2.gz ZFGNPOFZRXMFGT-UHFFFAOYSA-N 0 0 242.347 3.554 10 30 BHEERN Cc1cc(C)c(C)c(Oc2ncccc2C#N)c1 ZINC000034937246 351351337 /nfs/dbraw/zinc/35/13/37/351351337.db2.gz INYKICXYLUTTFU-UHFFFAOYSA-N 0 0 238.290 3.671 10 30 BHEERN Cc1cc(C)c(C)c(Oc2cc(C#N)ccn2)c1 ZINC000034940038 177853664 /nfs/dbraw/zinc/85/36/64/177853664.db2.gz LNZOHJRHNVNJDD-UHFFFAOYSA-N 0 0 238.290 3.671 10 30 BHEERN N#CC1(c2c(Cl)cccc2Cl)CC1 ZINC000034940464 351356880 /nfs/dbraw/zinc/35/68/80/351356880.db2.gz KBMHWXKIWQODLX-UHFFFAOYSA-N 0 0 212.079 3.549 10 30 BHEERN N#CC1(c2ccc(OC(F)F)cc2)CCCC1 ZINC000034940472 181031162 /nfs/dbraw/zinc/03/11/62/181031162.db2.gz AEXQHHJNEXAUCY-UHFFFAOYSA-N 0 0 237.249 3.623 10 30 BHEERN N#CC1(c2ccc(Cl)cc2Cl)CCC1 ZINC000034940478 351356540 /nfs/dbraw/zinc/35/65/40/351356540.db2.gz DCJGOBFIZBXJSQ-UHFFFAOYSA-N 0 0 226.106 3.939 10 30 BHEERN COc1ccc(Cl)cc1C1(C#N)CCCC1 ZINC000034940489 175120774 /nfs/dbraw/zinc/12/07/74/175120774.db2.gz GIWDAIYLTQIFQU-UHFFFAOYSA-N 0 0 235.714 3.684 10 30 BHEERN C[C@@H]1C[C@H](OCCCC#N)CC(C)(C)C1 ZINC000034958252 176429736 /nfs/dbraw/zinc/42/97/36/176429736.db2.gz LRXDVBNKPHUIHV-NEPJUHHUSA-N 0 0 209.333 3.522 10 30 BHEERN C[C@H]1C[C@H](OCCCC#N)CC(C)(C)C1 ZINC000034958253 177374499 /nfs/dbraw/zinc/37/44/99/177374499.db2.gz LRXDVBNKPHUIHV-RYUDHWBXSA-N 0 0 209.333 3.522 10 30 BHEERN C[C@@H]1C[C@@H](OCCCC#N)CC(C)(C)C1 ZINC000034958254 176383121 /nfs/dbraw/zinc/38/31/21/176383121.db2.gz LRXDVBNKPHUIHV-VXGBXAGGSA-N 0 0 209.333 3.522 10 30 BHEERN C[C@H]1C[C@@H](OCCCC#N)CC(C)(C)C1 ZINC000034958255 177338452 /nfs/dbraw/zinc/33/84/52/177338452.db2.gz LRXDVBNKPHUIHV-NWDGAFQWSA-N 0 0 209.333 3.522 10 30 BHEERN N#Cc1ccc(COC/C=C/c2ccccc2)cc1 ZINC000034958445 351364033 /nfs/dbraw/zinc/36/40/33/351364033.db2.gz JHWFUYQFANMSJH-QPJJXVBHSA-N 0 0 249.313 3.788 10 30 BHEERN N#Cc1ccccc1COC/C=C/c1ccccc1 ZINC000034958448 181147119 /nfs/dbraw/zinc/14/71/19/181147119.db2.gz VZBMQDSJRWZWSB-RMKNXTFCSA-N 0 0 249.313 3.788 10 30 BHEERN CC(C)(C)Oc1ccc(C(F)(F)F)cc1C#N ZINC000034974555 166687038 /nfs/dbraw/zinc/68/70/38/166687038.db2.gz UJLISEQBEUVLFG-UHFFFAOYSA-N 0 0 243.228 3.754 10 30 BHEERN N#C[C@@H](C(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000034975629 181053985 /nfs/dbraw/zinc/05/39/85/181053985.db2.gz CKETYQYSQSGMFA-CYBMUJFWSA-N 0 0 247.725 3.706 10 30 BHEERN N#C[C@H](C(=O)C1CCCC1)c1ccc(Cl)cc1 ZINC000034975631 181063019 /nfs/dbraw/zinc/06/30/19/181063019.db2.gz CKETYQYSQSGMFA-ZDUSSCGKSA-N 0 0 247.725 3.706 10 30 BHEERN Cc1c(C)n([C@@H]2CCC[C@@H](C)[C@@H]2C)c(N)c1C#N ZINC000034976262 177556344 /nfs/dbraw/zinc/55/63/44/177556344.db2.gz FMOABAZVWNKVDZ-ISTVAULSSA-N 0 0 245.370 3.556 10 30 BHEERN N#CCc1nc(-c2ccc(Cl)s2)cs1 ZINC000035082522 355798265 /nfs/dbraw/zinc/79/82/65/355798265.db2.gz VNBVFBAGXSTYNC-UHFFFAOYSA-N 0 0 240.740 3.591 10 30 BHEERN CCCCc1ccc(NC2=NC[C@H](C)S2)cc1 ZINC000035082667 169019996 /nfs/dbraw/zinc/01/99/96/169019996.db2.gz RVTYPBJPJMIINI-NSHDSACASA-N 0 0 248.395 3.742 10 30 BHEERN CCCCc1ccc(NC2=NC[C@@H](C)S2)cc1 ZINC000035082668 169019694 /nfs/dbraw/zinc/01/96/94/169019694.db2.gz RVTYPBJPJMIINI-LLVKDONJSA-N 0 0 248.395 3.742 10 30 BHEERN C=CCOc1c(C(C)=O)ccc2ccccc21 ZINC000035099867 387129016 /nfs/dbraw/zinc/12/90/16/387129016.db2.gz LSLYQAGFLIFYPW-UHFFFAOYSA-N 0 0 226.275 3.607 10 30 BHEERN Cc1ccc(C)n1-c1ccc(C#N)c(Cl)c1 ZINC000035120150 355834846 /nfs/dbraw/zinc/83/48/46/355834846.db2.gz LJTPHFWHARUBCE-UHFFFAOYSA-N 0 0 230.698 3.619 10 30 BHEERN CC1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000035134948 168165641 /nfs/dbraw/zinc/16/56/41/168165641.db2.gz PVLBJXJVQBFALB-UHFFFAOYSA-N 0 0 232.302 3.688 10 30 BHEERN C[C@H](Nc1cccc(F)c1C#N)c1cccs1 ZINC000035134973 355842476 /nfs/dbraw/zinc/84/24/76/355842476.db2.gz VVJSJAAAIIPPSZ-VIFPVBQESA-N 0 0 246.310 3.932 10 30 BHEERN C[C@@H](Nc1cccc(F)c1C#N)c1cccs1 ZINC000035134974 355842564 /nfs/dbraw/zinc/84/25/64/355842564.db2.gz VVJSJAAAIIPPSZ-SECBINFHSA-N 0 0 246.310 3.932 10 30 BHEERN Cc1ccc([C@@H](C)Nc2cccc(F)c2C#N)o1 ZINC000035135159 386425621 /nfs/dbraw/zinc/42/56/21/386425621.db2.gz VBULQSQHIGZNOK-SNVBAGLBSA-N 0 0 244.269 3.772 10 30 BHEERN Cc1ccc([C@H](C)Nc2cccc(F)c2C#N)o1 ZINC000035135160 355842375 /nfs/dbraw/zinc/84/23/75/355842375.db2.gz VBULQSQHIGZNOK-JTQLQIEISA-N 0 0 244.269 3.772 10 30 BHEERN N#CCCCNc1ccc2ccccc2c1 ZINC000035140469 188111842 /nfs/dbraw/zinc/11/18/42/188111842.db2.gz AEGLGGBEHXESQP-UHFFFAOYSA-N 0 0 210.280 3.555 10 30 BHEERN N#Cc1ccccc1N1CCC[C@H]2CCCC[C@@H]21 ZINC000035164294 132338007 /nfs/dbraw/zinc/33/80/07/132338007.db2.gz XQJZBZYWGCKGME-HIFRSBDPSA-N 0 0 240.350 3.717 10 30 BHEERN N#Cc1ccccc1N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035164296 132337810 /nfs/dbraw/zinc/33/78/10/132337810.db2.gz XQJZBZYWGCKGME-ZFWWWQNUSA-N 0 0 240.350 3.717 10 30 BHEERN N#Cc1ccc(N2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000035175368 132337877 /nfs/dbraw/zinc/33/78/77/132337877.db2.gz JEGYSAZTLRSXQM-ZBFHGGJFSA-N 0 0 240.350 3.717 10 30 BHEERN N#Cc1ccc(N2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000035175370 132337940 /nfs/dbraw/zinc/33/79/40/132337940.db2.gz JEGYSAZTLRSXQM-HOCLYGCPSA-N 0 0 240.350 3.717 10 30 BHEERN N#Cc1cc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000035259666 350172505 /nfs/dbraw/zinc/17/25/05/350172505.db2.gz XOAOYQRVNJYSOI-UHFFFAOYSA-N 0 0 248.285 3.619 10 30 BHEERN C[C@@H]1CSC(Nc2ccc(C(C)(C)C)cc2)=N1 ZINC000035294501 176348753 /nfs/dbraw/zinc/34/87/53/176348753.db2.gz CEFXVZMAOMKEFQ-SNVBAGLBSA-N 0 0 248.395 3.697 10 30 BHEERN C[C@H]1CSC(Nc2ccc(C(C)(C)C)cc2)=N1 ZINC000035294502 177303264 /nfs/dbraw/zinc/30/32/64/177303264.db2.gz CEFXVZMAOMKEFQ-JTQLQIEISA-N 0 0 248.395 3.697 10 30 BHEERN C[C@@H]1CN=C(Nc2ccc(C(C)(C)C)cc2)S1 ZINC000035294503 176322929 /nfs/dbraw/zinc/32/29/29/176322929.db2.gz HBVWVRNFRNVHPG-SNVBAGLBSA-N 0 0 248.395 3.697 10 30 BHEERN C[C@H]1CN=C(Nc2ccc(C(C)(C)C)cc2)S1 ZINC000035294504 177278743 /nfs/dbraw/zinc/27/87/43/177278743.db2.gz HBVWVRNFRNVHPG-JTQLQIEISA-N 0 0 248.395 3.697 10 30 BHEERN CCCCc1ccc(NC2=N[C@H](C)CS2)cc1 ZINC000035295418 169020006 /nfs/dbraw/zinc/02/00/06/169020006.db2.gz LXJPMFVXMJRRID-LLVKDONJSA-N 0 0 248.395 3.742 10 30 BHEERN CCCCc1ccc(NC2=N[C@@H](C)CS2)cc1 ZINC000035295420 169018883 /nfs/dbraw/zinc/01/88/83/169018883.db2.gz LXJPMFVXMJRRID-NSHDSACASA-N 0 0 248.395 3.742 10 30 BHEERN CCCCN(CCCC)c1ccc(C#N)cc1N ZINC000035674434 168807674 /nfs/dbraw/zinc/80/76/74/168807674.db2.gz QMDHUWPZRWHCPW-UHFFFAOYSA-N 0 0 245.370 3.547 10 30 BHEERN Cc1cccc(Oc2ccc(C#N)cc2N)c1C ZINC000035674835 179175727 /nfs/dbraw/zinc/17/57/27/179175727.db2.gz QQHRKZQWAGLMHP-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN Cc1cc(C)cc(Oc2ccc(C#N)cc2N)c1 ZINC000035674861 177913836 /nfs/dbraw/zinc/91/38/36/177913836.db2.gz WRLLJHJXCPOPOH-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN N#C[C@H]1CCC[C@H]1Sc1cc(F)ccc1F ZINC000035676276 181070161 /nfs/dbraw/zinc/07/01/61/181070161.db2.gz CKLSDPGEFBERFX-LDYMZIIASA-N 0 0 239.290 3.749 10 30 BHEERN N#C[C@H]1CCC[C@@H]1Sc1cc(F)ccc1F ZINC000035676277 181068465 /nfs/dbraw/zinc/06/84/65/181068465.db2.gz CKLSDPGEFBERFX-KCJUWKMLSA-N 0 0 239.290 3.749 10 30 BHEERN N#C[C@@H]1CCC[C@H]1Sc1cc(F)ccc1F ZINC000035676278 181060952 /nfs/dbraw/zinc/06/09/52/181060952.db2.gz CKLSDPGEFBERFX-GZMMTYOYSA-N 0 0 239.290 3.749 10 30 BHEERN N#C[C@@H]1CCC[C@@H]1Sc1cc(F)ccc1F ZINC000035676279 181060200 /nfs/dbraw/zinc/06/02/00/181060200.db2.gz CKLSDPGEFBERFX-KWQFWETISA-N 0 0 239.290 3.749 10 30 BHEERN C=CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789752 387373462 /nfs/dbraw/zinc/37/34/62/387373462.db2.gz VEZKMPNGQKCFKB-ZETCQYMHSA-N 0 0 248.128 3.969 10 30 BHEERN C=CCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789755 387373883 /nfs/dbraw/zinc/37/38/83/387373883.db2.gz VEZKMPNGQKCFKB-SSDOTTSWSA-N 0 0 248.128 3.969 10 30 BHEERN C=CCc1cc(Cl)c2ccccc2c1O ZINC000035855254 343143026 /nfs/dbraw/zinc/14/30/26/343143026.db2.gz GUSGNERSKXXYOX-UHFFFAOYSA-N 0 0 218.683 3.927 10 30 BHEERN CC(C)(CCCCC#N)CO[C@@H]1CCCCO1 ZINC000035874786 342797569 /nfs/dbraw/zinc/79/75/69/342797569.db2.gz LXPROLXHLNMAGD-CYBMUJFWSA-N 0 0 239.359 3.640 10 30 BHEERN CC(C)(CCCCC#N)CO[C@H]1CCCCO1 ZINC000035874787 342797712 /nfs/dbraw/zinc/79/77/12/342797712.db2.gz LXPROLXHLNMAGD-ZDUSSCGKSA-N 0 0 239.359 3.640 10 30 BHEERN N#C[C@@H](C(=O)CC1CCCCC1)c1ccccc1 ZINC000035898544 526490671 /nfs/dbraw/zinc/49/06/71/526490671.db2.gz OFTNWMQZDHAYLH-OAHLLOKOSA-N 0 0 241.334 3.833 10 30 BHEERN N#C[C@H](C(=O)CC1CCCCC1)c1ccccc1 ZINC000035898545 526504766 /nfs/dbraw/zinc/50/47/66/526504766.db2.gz OFTNWMQZDHAYLH-HNNXBMFYSA-N 0 0 241.334 3.833 10 30 BHEERN CC(C)(C)/N=C/c1ccc(C(F)(F)F)cc1 ZINC000035923883 342808345 /nfs/dbraw/zinc/80/83/45/342808345.db2.gz QXJSKXGIXWWSMI-LZYBPNLTSA-N 0 0 229.245 3.923 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000035940299 181065566 /nfs/dbraw/zinc/06/55/66/181065566.db2.gz RUSAUHYRWSMDJT-AWEZNQCLSA-N 0 0 226.254 3.502 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000035940300 181057430 /nfs/dbraw/zinc/05/74/30/181057430.db2.gz RUSAUHYRWSMDJT-CQSZACIVSA-N 0 0 226.254 3.502 10 30 BHEERN C[C@@H](C[C@@H](C#N)c1cccnc1)c1ccccc1 ZINC000035940372 342808814 /nfs/dbraw/zinc/80/88/14/342808814.db2.gz SXLGHLQUTIGHQV-BBRMVZONSA-N 0 0 236.318 3.883 10 30 BHEERN C[C@H](C[C@@H](C#N)c1cccnc1)c1ccccc1 ZINC000035940373 342808743 /nfs/dbraw/zinc/80/87/43/342808743.db2.gz SXLGHLQUTIGHQV-CJNGLKHVSA-N 0 0 236.318 3.883 10 30 BHEERN C[C@@H](C[C@H](C#N)c1cccnc1)c1ccccc1 ZINC000035940374 342808676 /nfs/dbraw/zinc/80/86/76/342808676.db2.gz SXLGHLQUTIGHQV-XJKSGUPXSA-N 0 0 236.318 3.883 10 30 BHEERN C[C@H](C[C@H](C#N)c1cccnc1)c1ccccc1 ZINC000035940375 342808843 /nfs/dbraw/zinc/80/88/43/342808843.db2.gz SXLGHLQUTIGHQV-CZUORRHYSA-N 0 0 236.318 3.883 10 30 BHEERN CC(C)[C@@H](C)N(C)c1ccc(C#N)c(Cl)c1 ZINC000035940377 360313086 /nfs/dbraw/zinc/31/30/86/360313086.db2.gz QCLFIDNDLSNUQK-SNVBAGLBSA-N 0 0 236.746 3.692 10 30 BHEERN CC(C)[C@H](C)N(C)c1ccc(C#N)c(Cl)c1 ZINC000035940378 360312273 /nfs/dbraw/zinc/31/22/73/360312273.db2.gz QCLFIDNDLSNUQK-JTQLQIEISA-N 0 0 236.746 3.692 10 30 BHEERN C[C@@H]1CCC[C@H](C)C1Nc1cccc(F)c1C#N ZINC000036138601 177114113 /nfs/dbraw/zinc/11/41/13/177114113.db2.gz RTSVXBZRISVHNN-YWXMQNBFSA-N 0 0 246.329 3.934 10 30 BHEERN C[C@H]1CCC[C@H](C)C1Nc1cccc(F)c1C#N ZINC000036138603 177130261 /nfs/dbraw/zinc/13/02/61/177130261.db2.gz RTSVXBZRISVHNN-QWRGUYRKSA-N 0 0 246.329 3.934 10 30 BHEERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc(F)c1C#N ZINC000036138605 176114164 /nfs/dbraw/zinc/11/41/64/176114164.db2.gz RTSVXBZRISVHNN-GHMZBOCLSA-N 0 0 246.329 3.934 10 30 BHEERN Cc1cc(Oc2ccccc2)ccc1C#N ZINC000036192762 178215666 /nfs/dbraw/zinc/21/56/66/178215666.db2.gz MPLUTVGBROZFKD-UHFFFAOYSA-N 0 0 209.248 3.659 10 30 BHEERN Cc1ccc(OCc2ccccc2F)c(C#N)c1 ZINC000036195992 178815821 /nfs/dbraw/zinc/81/58/21/178815821.db2.gz HCEQFFXWZMNNHA-UHFFFAOYSA-N 0 0 241.265 3.585 10 30 BHEERN CCCCCCCc1cccc2c[nH+]cn21 ZINC000036242189 342900857 /nfs/dbraw/zinc/90/08/57/342900857.db2.gz TYMNZSSZEINRIM-UHFFFAOYSA-N 0 0 216.328 3.847 10 30 BHEERN CCCCCCCC#CCCc1c[nH]cn1 ZINC000036289076 342912629 /nfs/dbraw/zinc/91/26/29/342912629.db2.gz FBVJGNFPPXUUOV-UHFFFAOYSA-N 0 0 218.344 3.706 10 30 BHEERN C=C(Cc1cccc2ccccc21)C(=O)OCC ZINC000036427561 342998056 /nfs/dbraw/zinc/99/80/56/342998056.db2.gz OPRWELBZWNUGPQ-UHFFFAOYSA-N 0 0 240.302 3.502 10 30 BHEERN N#C[C@@H](Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000036427702 181057292 /nfs/dbraw/zinc/05/72/92/181057292.db2.gz GYGCGBQHFUQZSQ-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000036427703 181065883 /nfs/dbraw/zinc/06/58/83/181065883.db2.gz GYGCGBQHFUQZSQ-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#Cc1cccc(-n2ccc3ccccc32)c1 ZINC000036449035 343002454 /nfs/dbraw/zinc/00/24/54/343002454.db2.gz JWOXRBIYGNTCED-UHFFFAOYSA-N 0 0 218.259 3.502 10 30 BHEERN CO/N=C(/Cc1ccc(C)cc1)c1ccccc1 ZINC000036449615 343002442 /nfs/dbraw/zinc/00/24/42/343002442.db2.gz OAYYONKMYCRDEW-MSUUIHNZSA-N 0 0 239.318 3.588 10 30 BHEERN C=CCC[C@@H](O)c1ccc(C(C)C)cc1 ZINC000036467134 361156388 /nfs/dbraw/zinc/15/63/88/361156388.db2.gz GJCNSWGPSNKAMY-CQSZACIVSA-N 0 0 204.313 3.810 10 30 BHEERN C=CCC[C@H](O)c1ccc(C(C)C)cc1 ZINC000036467135 361156322 /nfs/dbraw/zinc/15/63/22/361156322.db2.gz GJCNSWGPSNKAMY-AWEZNQCLSA-N 0 0 204.313 3.810 10 30 BHEERN O=CCCCCCCCOCc1ccccc1 ZINC000036467883 343015141 /nfs/dbraw/zinc/01/51/41/343015141.db2.gz CGXBISFNQLVEFE-UHFFFAOYSA-N 0 0 234.339 3.743 10 30 BHEERN C=C(CCC)P(=O)(OCC)OCC ZINC000036472537 343014998 /nfs/dbraw/zinc/01/49/98/343014998.db2.gz UXQUGIOXXJDALF-UHFFFAOYSA-N 0 0 206.222 3.566 10 30 BHEERN C[C@H](C#N)CSc1ccc(Cl)cc1 ZINC000036668291 347429081 /nfs/dbraw/zinc/42/90/81/347429081.db2.gz YBCLMCLEAPTWNV-MRVPVSSYSA-N 0 0 211.717 3.592 10 30 BHEERN C[C@@H](C#N)CSc1ccc(Cl)cc1 ZINC000036668293 347429259 /nfs/dbraw/zinc/42/92/59/347429259.db2.gz YBCLMCLEAPTWNV-QMMMGPOBSA-N 0 0 211.717 3.592 10 30 BHEERN Cc1ccc(C)c(SC[C@@H](C)C#N)c1 ZINC000036668373 347429220 /nfs/dbraw/zinc/42/92/20/347429220.db2.gz ANRIYGLELSZSHD-JTQLQIEISA-N 0 0 205.326 3.555 10 30 BHEERN Cc1ccc(C)c(SC[C@H](C)C#N)c1 ZINC000036668375 343322302 /nfs/dbraw/zinc/32/23/02/343322302.db2.gz ANRIYGLELSZSHD-SNVBAGLBSA-N 0 0 205.326 3.555 10 30 BHEERN Cc1ccc(SC[C@@H](C)C#N)c(C)c1 ZINC000036668377 347429365 /nfs/dbraw/zinc/42/93/65/347429365.db2.gz KCMYOQQMTKOHNG-JTQLQIEISA-N 0 0 205.326 3.555 10 30 BHEERN Cc1ccc(SC[C@H](C)C#N)c(C)c1 ZINC000036668379 347429216 /nfs/dbraw/zinc/42/92/16/347429216.db2.gz KCMYOQQMTKOHNG-SNVBAGLBSA-N 0 0 205.326 3.555 10 30 BHEERN Cc1ccc(SC[C@@H](C)C#N)cc1C ZINC000036668388 347429223 /nfs/dbraw/zinc/42/92/23/347429223.db2.gz OSLQHZQKQAPWAH-VIFPVBQESA-N 0 0 205.326 3.555 10 30 BHEERN Cc1ccc(SC[C@H](C)C#N)cc1C ZINC000036668390 347429301 /nfs/dbraw/zinc/42/93/01/347429301.db2.gz OSLQHZQKQAPWAH-SECBINFHSA-N 0 0 205.326 3.555 10 30 BHEERN C[C@H](C#N)CNc1ccc(Cl)cc1Cl ZINC000036668957 347429378 /nfs/dbraw/zinc/42/93/78/347429378.db2.gz QAMXXHLYAGEPJN-SSDOTTSWSA-N 0 0 229.110 3.565 10 30 BHEERN C[C@@H](C#N)CNc1ccc(Cl)cc1Cl ZINC000036668959 347428990 /nfs/dbraw/zinc/42/89/90/347428990.db2.gz QAMXXHLYAGEPJN-ZETCQYMHSA-N 0 0 229.110 3.565 10 30 BHEERN C[C@H](C#N)CNc1ccccc1-c1ccccc1 ZINC000036677252 176554168 /nfs/dbraw/zinc/55/41/68/176554168.db2.gz MPQHWQIDEGUGGH-CYBMUJFWSA-N 0 0 236.318 3.925 10 30 BHEERN Cc1cc(OCCCC#N)cc(C)c1Cl ZINC000036683329 178210150 /nfs/dbraw/zinc/21/01/50/178210150.db2.gz LRTDBQKIILVWNB-UHFFFAOYSA-N 0 0 223.703 3.639 10 30 BHEERN N#Cc1ccccc1NC1CC(c2ccccc2)C1 ZINC000036840412 181148314 /nfs/dbraw/zinc/14/83/14/181148314.db2.gz AKBRKUHRXTXTIM-UHFFFAOYSA-N 0 0 248.329 3.916 10 30 BHEERN CC(C)(C)Sc1ccc(C#N)cc1F ZINC000036886981 361576510 /nfs/dbraw/zinc/57/65/10/361576510.db2.gz CHOMGOFBFZBNFY-UHFFFAOYSA-N 0 0 209.289 3.588 10 30 BHEERN C=CCn1c(=S)[nH]c2cccc(Cl)c21 ZINC000036915692 347963952 /nfs/dbraw/zinc/96/39/52/347963952.db2.gz KTMMOHRSTBRXPP-UHFFFAOYSA-N 0 0 224.716 3.538 10 30 BHEERN C=CCn1c(=S)[nH]c2cc(Cl)ccc21 ZINC000036915695 347964049 /nfs/dbraw/zinc/96/40/49/347964049.db2.gz UQKQNGXHXZQOLJ-UHFFFAOYSA-N 0 0 224.716 3.538 10 30 BHEERN CC[C@@H](C#N)C(=O)c1cc(Cl)ccc1Cl ZINC000036915834 347964217 /nfs/dbraw/zinc/96/42/17/347964217.db2.gz SAEYDAWZLKYJIF-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@H](C#N)C(=O)c1cc(Cl)ccc1Cl ZINC000036915835 347963732 /nfs/dbraw/zinc/96/37/32/347963732.db2.gz SAEYDAWZLKYJIF-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@@H](C#N)C(=O)c1cccc(Cl)c1Cl ZINC000036915940 347964047 /nfs/dbraw/zinc/96/40/47/347964047.db2.gz PAODAYSJYWTEFD-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@H](C#N)C(=O)c1cccc(Cl)c1Cl ZINC000036915941 347964131 /nfs/dbraw/zinc/96/41/31/347964131.db2.gz PAODAYSJYWTEFD-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@@H](C#N)C(=O)c1ccc(Cl)cc1Cl ZINC000036916020 347963741 /nfs/dbraw/zinc/96/37/41/347963741.db2.gz XCZPVNKFKGAXQV-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@H](C#N)C(=O)c1ccc(Cl)cc1Cl ZINC000036916021 347963648 /nfs/dbraw/zinc/96/36/48/347963648.db2.gz XCZPVNKFKGAXQV-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@@H](C#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036916024 347963861 /nfs/dbraw/zinc/96/38/61/347963861.db2.gz MPBBOCPOQWGFLZ-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@H](C#N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000036916025 347963645 /nfs/dbraw/zinc/96/36/45/347963645.db2.gz MPBBOCPOQWGFLZ-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@@H](C#N)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000036916040 347963805 /nfs/dbraw/zinc/96/38/05/347963805.db2.gz BFYWWADFQVDMSB-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN CC[C@H](C#N)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000036916041 347963914 /nfs/dbraw/zinc/96/39/14/347963914.db2.gz BFYWWADFQVDMSB-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN CCSc1ccc(C(F)(F)F)cc1C#N ZINC000036926982 170654726 /nfs/dbraw/zinc/65/47/26/170654726.db2.gz JWPRDBCXHAXXKM-UHFFFAOYSA-N 0 0 231.242 3.689 10 30 BHEERN CCc1ccc(C(=O)[C@@H](C#N)c2ccccc2)cc1 ZINC000036930372 171788755 /nfs/dbraw/zinc/78/87/55/171788755.db2.gz RSPKOHUWJCEWEQ-INIZCTEOSA-N 0 0 249.313 3.739 10 30 BHEERN Cc1ccccc1[C@@H](C#N)C(=O)C1CCCCC1 ZINC000036930504 179316283 /nfs/dbraw/zinc/31/62/83/179316283.db2.gz JZKJZRQYVJYUMB-OAHLLOKOSA-N 0 0 241.334 3.752 10 30 BHEERN Cc1ccccc1[C@H](C#N)C(=O)C1CCCCC1 ZINC000036930505 179333460 /nfs/dbraw/zinc/33/34/60/179333460.db2.gz JZKJZRQYVJYUMB-HNNXBMFYSA-N 0 0 241.334 3.752 10 30 BHEERN N#C[C@@H](C(=O)C1CCCC1)c1cccc(Cl)c1 ZINC000036930579 181054664 /nfs/dbraw/zinc/05/46/64/181054664.db2.gz OABAKVMEXWLHQW-CYBMUJFWSA-N 0 0 247.725 3.706 10 30 BHEERN N#C[C@H](C(=O)C1CCCC1)c1cccc(Cl)c1 ZINC000036930580 181062335 /nfs/dbraw/zinc/06/23/35/181062335.db2.gz OABAKVMEXWLHQW-ZDUSSCGKSA-N 0 0 247.725 3.706 10 30 BHEERN CC(C)CC(=O)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000036930813 166775058 /nfs/dbraw/zinc/77/50/58/166775058.db2.gz OPWOQSSEBMQHJM-LBPRGKRZSA-N 0 0 235.714 3.562 10 30 BHEERN C[C@H](Nc1cc(Cl)ccc1C#N)c1ccco1 ZINC000036954476 361583068 /nfs/dbraw/zinc/58/30/68/361583068.db2.gz DISONCFDLHURQU-VIFPVBQESA-N 0 0 246.697 3.978 10 30 BHEERN C[C@@H](Nc1cc(Cl)ccc1C#N)c1ccco1 ZINC000036954477 361583415 /nfs/dbraw/zinc/58/34/15/361583415.db2.gz DISONCFDLHURQU-SECBINFHSA-N 0 0 246.697 3.978 10 30 BHEERN CC(C)(C)c1cccc(OCCCC#N)c1 ZINC000036965531 383922402 /nfs/dbraw/zinc/92/24/02/383922402.db2.gz LANQPUFAWLBXHA-UHFFFAOYSA-N 0 0 217.312 3.667 10 30 BHEERN Cc1ccc(Cl)c(Oc2cc(C#N)ccn2)c1 ZINC000036985034 178658622 /nfs/dbraw/zinc/65/86/22/178658622.db2.gz ZEBAETFSYVQGQQ-UHFFFAOYSA-N 0 0 244.681 3.707 10 30 BHEERN Cc1c(F)cc(C#N)cc1NCc1ccccc1 ZINC000037089237 361647580 /nfs/dbraw/zinc/64/75/80/361647580.db2.gz GZKYJZCDCJWRQP-UHFFFAOYSA-N 0 0 240.281 3.618 10 30 BHEERN CC[C@H](C)S[C@@H]1CCCCC[C@@H]1C#N ZINC000037155993 348025629 /nfs/dbraw/zinc/02/56/29/348025629.db2.gz OWJWWQHVTAFXHC-QJPTWQEYSA-N 0 0 211.374 3.991 10 30 BHEERN CC[C@H](C)S[C@H]1CCCCC[C@@H]1C#N ZINC000037155997 348025410 /nfs/dbraw/zinc/02/54/10/348025410.db2.gz OWJWWQHVTAFXHC-TUAOUCFPSA-N 0 0 211.374 3.991 10 30 BHEERN N#C[C@H]1CCC[C@H]1Sc1cccs1 ZINC000037156216 348025569 /nfs/dbraw/zinc/02/55/69/348025569.db2.gz PSIZFCCSFWZMIA-RKDXNWHRSA-N 0 0 209.339 3.532 10 30 BHEERN N#C[C@H]1CCC[C@@H]1Sc1cccs1 ZINC000037156218 348025641 /nfs/dbraw/zinc/02/56/41/348025641.db2.gz PSIZFCCSFWZMIA-BDAKNGLRSA-N 0 0 209.339 3.532 10 30 BHEERN N#C[C@@H]1CCC[C@H]1Sc1cccs1 ZINC000037156220 348025475 /nfs/dbraw/zinc/02/54/75/348025475.db2.gz PSIZFCCSFWZMIA-DTWKUNHWSA-N 0 0 209.339 3.532 10 30 BHEERN N#C[C@@H]1CCC[C@@H]1Sc1cccs1 ZINC000037156222 348025371 /nfs/dbraw/zinc/02/53/71/348025371.db2.gz PSIZFCCSFWZMIA-IUCAKERBSA-N 0 0 209.339 3.532 10 30 BHEERN CC(C)CS[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000037156398 348025571 /nfs/dbraw/zinc/02/55/71/348025571.db2.gz QABTULBYFJNSLT-IJLUTSLNSA-N 0 0 211.374 3.704 10 30 BHEERN CC(C)CS[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000037156400 348025643 /nfs/dbraw/zinc/02/56/43/348025643.db2.gz QABTULBYFJNSLT-QJPTWQEYSA-N 0 0 211.374 3.704 10 30 BHEERN CC(C)CS[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000037156402 348025662 /nfs/dbraw/zinc/02/56/62/348025662.db2.gz QABTULBYFJNSLT-GRYCIOLGSA-N 0 0 211.374 3.704 10 30 BHEERN CC(C)CS[C@@H]1C[C@@H](C)CC[C@H]1C#N ZINC000037156404 348025649 /nfs/dbraw/zinc/02/56/49/348025649.db2.gz QABTULBYFJNSLT-SDDRHHMPSA-N 0 0 211.374 3.704 10 30 BHEERN N#C[C@H]1CCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000037156566 181069891 /nfs/dbraw/zinc/06/98/91/181069891.db2.gz PLMDBTMCTUQIGH-PRHODGIISA-N 0 0 239.290 3.749 10 30 BHEERN N#C[C@H]1CCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000037156568 181069305 /nfs/dbraw/zinc/06/93/05/181069305.db2.gz PLMDBTMCTUQIGH-PELKAZGASA-N 0 0 239.290 3.749 10 30 BHEERN N#C[C@@H]1CCC[C@H]1Sc1ccc(F)c(F)c1 ZINC000037156570 181060905 /nfs/dbraw/zinc/06/09/05/181060905.db2.gz PLMDBTMCTUQIGH-QPUJVOFHSA-N 0 0 239.290 3.749 10 30 BHEERN N#C[C@@H]1CCC[C@@H]1Sc1ccc(F)c(F)c1 ZINC000037156572 181059847 /nfs/dbraw/zinc/05/98/47/181059847.db2.gz PLMDBTMCTUQIGH-UFBFGSQYSA-N 0 0 239.290 3.749 10 30 BHEERN C=C(C)CSc1c(N)cccc1Cl ZINC000037204390 344489779 /nfs/dbraw/zinc/48/97/79/344489779.db2.gz KBJQEWWSXFLTFQ-UHFFFAOYSA-N 0 0 213.733 3.590 10 30 BHEERN C[C@@H](C#N)c1ccc2c(c1)Cc1ccccc1-2 ZINC000037245503 361777736 /nfs/dbraw/zinc/77/77/36/361777736.db2.gz GCANDCNCYUOHQC-NSHDSACASA-N 0 0 219.287 3.885 10 30 BHEERN C[C@H](C#N)c1ccc2c(c1)Cc1ccccc1-2 ZINC000037245505 361778281 /nfs/dbraw/zinc/77/82/81/361778281.db2.gz GCANDCNCYUOHQC-LLVKDONJSA-N 0 0 219.287 3.885 10 30 BHEERN CC[C@H](Nc1cccc(F)c1C#N)C(C)C ZINC000037268849 388243430 /nfs/dbraw/zinc/24/34/30/388243430.db2.gz JJCKPHFJPUYICD-LBPRGKRZSA-N 0 0 220.291 3.544 10 30 BHEERN CC[C@@H](Nc1cccc(F)c1C#N)C(C)C ZINC000037268852 324522228 /nfs/dbraw/zinc/52/22/28/324522228.db2.gz JJCKPHFJPUYICD-GFCCVEGCSA-N 0 0 220.291 3.544 10 30 BHEERN Cc1ccccc1C(=O)[C@H](C#N)c1ccccc1C ZINC000037344295 179254215 /nfs/dbraw/zinc/25/42/15/179254215.db2.gz YOPDLOPYPCGIDY-MRXNPFEDSA-N 0 0 249.313 3.794 10 30 BHEERN Cc1ccccc1C(=O)[C@@H](C#N)c1ccccc1C ZINC000037344297 179253876 /nfs/dbraw/zinc/25/38/76/179253876.db2.gz YOPDLOPYPCGIDY-INIZCTEOSA-N 0 0 249.313 3.794 10 30 BHEERN N#C[C@@H](C(=O)C1CCCCC1)c1ccc(F)cc1 ZINC000037345575 181054091 /nfs/dbraw/zinc/05/40/91/181054091.db2.gz UVRKSUHWSFDKSR-CQSZACIVSA-N 0 0 245.297 3.582 10 30 BHEERN N#C[C@H](C(=O)C1CCCCC1)c1ccc(F)cc1 ZINC000037345577 181062998 /nfs/dbraw/zinc/06/29/98/181062998.db2.gz UVRKSUHWSFDKSR-AWEZNQCLSA-N 0 0 245.297 3.582 10 30 BHEERN CCN(CC)[C@@H](C#N)c1cccc2ccccc21 ZINC000037355269 409736919 /nfs/dbraw/zinc/73/69/19/409736919.db2.gz JKFMXZIUJKHXOR-INIZCTEOSA-N 0 0 238.334 3.746 10 30 BHEERN CCN(CC)[C@H](C#N)c1cccc2ccccc21 ZINC000037355270 409739006 /nfs/dbraw/zinc/73/90/06/409739006.db2.gz JKFMXZIUJKHXOR-MRXNPFEDSA-N 0 0 238.334 3.746 10 30 BHEERN C[C@@H]1CC(C)(C)C[C@@](C#N)(N2CCCCC2)C1 ZINC000037355650 176052068 /nfs/dbraw/zinc/05/20/68/176052068.db2.gz TYOSTMFBIYBMLF-HIFRSBDPSA-N 0 0 234.387 3.581 10 30 BHEERN C[C@H]1CC(C)(C)C[C@@](C#N)(N2CCCCC2)C1 ZINC000037355651 177063826 /nfs/dbraw/zinc/06/38/26/177063826.db2.gz TYOSTMFBIYBMLF-ZFWWWQNUSA-N 0 0 234.387 3.581 10 30 BHEERN C[C@@H]1CC(C)(C)C[C@](C#N)(N2CCCCC2)C1 ZINC000037355652 176052120 /nfs/dbraw/zinc/05/21/20/176052120.db2.gz TYOSTMFBIYBMLF-UKRRQHHQSA-N 0 0 234.387 3.581 10 30 BHEERN C[C@H]1CC(C)(C)C[C@](C#N)(N2CCCCC2)C1 ZINC000037355653 177063982 /nfs/dbraw/zinc/06/39/82/177063982.db2.gz TYOSTMFBIYBMLF-DZGCQCFKSA-N 0 0 234.387 3.581 10 30 BHEERN C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000037393282 363956058 /nfs/dbraw/zinc/95/60/58/363956058.db2.gz XTVAUUKQBWOWPZ-VIFPVBQESA-N 0 0 246.697 3.978 10 30 BHEERN C[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000037393283 188325079 /nfs/dbraw/zinc/32/50/79/188325079.db2.gz XTVAUUKQBWOWPZ-SECBINFHSA-N 0 0 246.697 3.978 10 30 BHEERN C=C(Cl)CNc1ccccc1Br ZINC000037488421 348622504 /nfs/dbraw/zinc/62/25/04/348622504.db2.gz SYOJJHDMEIQCBG-UHFFFAOYSA-N 0 0 246.535 3.614 10 30 BHEERN C=C(Cl)CNc1ccc(Br)cc1 ZINC000037488422 344505453 /nfs/dbraw/zinc/50/54/53/344505453.db2.gz HQPWGYSTUIORAK-UHFFFAOYSA-N 0 0 246.535 3.614 10 30 BHEERN C=C(Cl)CNc1cccc(Br)c1 ZINC000037488423 348622302 /nfs/dbraw/zinc/62/23/02/348622302.db2.gz BLBTVISVKUGTFW-UHFFFAOYSA-N 0 0 246.535 3.614 10 30 BHEERN C=C(Cl)CNc1cccc(Cl)c1 ZINC000037488450 348622324 /nfs/dbraw/zinc/62/23/24/348622324.db2.gz ACWVVBZCXIWYEI-UHFFFAOYSA-N 0 0 202.084 3.504 10 30 BHEERN C=C(Cl)CNc1cccc(SC)c1 ZINC000037488454 348622295 /nfs/dbraw/zinc/62/22/95/348622295.db2.gz VYESQXZMAZWIMK-UHFFFAOYSA-N 0 0 213.733 3.573 10 30 BHEERN C=C(Cl)CNc1ccc(C)c(Cl)c1 ZINC000037488455 348622286 /nfs/dbraw/zinc/62/22/86/348622286.db2.gz LCHAABRSPVNNHE-UHFFFAOYSA-N 0 0 216.111 3.813 10 30 BHEERN C=C(Cl)CNc1ccc(Cl)cc1 ZINC000037488459 348622299 /nfs/dbraw/zinc/62/22/99/348622299.db2.gz SMYBZYXNKBBMJB-UHFFFAOYSA-N 0 0 202.084 3.504 10 30 BHEERN C=C(Cl)CNc1cc(Cl)ccc1OC ZINC000037488467 348622220 /nfs/dbraw/zinc/62/22/20/348622220.db2.gz YFIRUDAWDYGDBV-UHFFFAOYSA-N 0 0 232.110 3.513 10 30 BHEERN C=C(Cl)CNc1ccc(F)cc1Cl ZINC000037488508 348622365 /nfs/dbraw/zinc/62/23/65/348622365.db2.gz FOWPAWSALXZYQB-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN C=C(Cl)CNc1ccc(OC)c(Cl)c1 ZINC000037488533 348622556 /nfs/dbraw/zinc/62/25/56/348622556.db2.gz XCXCYQQUIXPQHL-UHFFFAOYSA-N 0 0 232.110 3.513 10 30 BHEERN C=C(Cl)CNc1cc(Cl)ccc1C ZINC000037488549 344506124 /nfs/dbraw/zinc/50/61/24/344506124.db2.gz JLWYFPWXPNUZHL-UHFFFAOYSA-N 0 0 216.111 3.813 10 30 BHEERN C=C(Cl)CNc1cccc(Cl)c1F ZINC000037488581 344505464 /nfs/dbraw/zinc/50/54/64/344505464.db2.gz DACCXMHEDHBOHW-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN C=C(Cl)CNc1cc(Cl)ccc1F ZINC000037488606 348622415 /nfs/dbraw/zinc/62/24/15/348622415.db2.gz RWCHOGZQTRNUKJ-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN C=C(Cl)CNc1cccc(C(C)C)c1 ZINC000037488614 348622517 /nfs/dbraw/zinc/62/25/17/348622517.db2.gz QFRANCYUIMABFX-UHFFFAOYSA-N 0 0 209.720 3.974 10 30 BHEERN C=C(Cl)CNc1ccc(SC)cc1 ZINC000037488624 348622455 /nfs/dbraw/zinc/62/24/55/348622455.db2.gz RSKWQYZVIYEFIW-UHFFFAOYSA-N 0 0 213.733 3.573 10 30 BHEERN C[C@H](Nc1ccc(C#N)cc1F)c1cccs1 ZINC000037507419 364096335 /nfs/dbraw/zinc/09/63/35/364096335.db2.gz SOFKEAQXDLFPOX-VIFPVBQESA-N 0 0 246.310 3.932 10 30 BHEERN C[C@@H](Nc1ccc(C#N)cc1F)c1cccs1 ZINC000037507420 175930187 /nfs/dbraw/zinc/93/01/87/175930187.db2.gz SOFKEAQXDLFPOX-SECBINFHSA-N 0 0 246.310 3.932 10 30 BHEERN Nc1cccc(C#Cc2cccc3ccccc23)c1 ZINC000037547748 364174169 /nfs/dbraw/zinc/17/41/69/364174169.db2.gz FDGQWDJJZGMMOR-UHFFFAOYSA-N 0 0 243.309 3.822 10 30 BHEERN CC(C)(C)c1ccc(C#Cc2cccc(N)c2)cc1 ZINC000037547823 364174602 /nfs/dbraw/zinc/17/46/02/364174602.db2.gz KVJGKYGCXPAMNP-UHFFFAOYSA-N 0 0 249.357 3.966 10 30 BHEERN CCCc1ccc(C#Cc2cccc(N)c2)cc1 ZINC000037547835 188151965 /nfs/dbraw/zinc/15/19/65/188151965.db2.gz HUURCSRZTNZAAW-UHFFFAOYSA-N 0 0 235.330 3.621 10 30 BHEERN N#C[C@H](C[C@@H](C#N)c1ccccc1)c1ccccc1 ZINC000037627230 181063454 /nfs/dbraw/zinc/06/34/54/181063454.db2.gz BWTDTZJEXARMAO-IRXDYDNUSA-N 0 0 246.313 3.991 10 30 BHEERN N#C[C@H](C[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000037627232 181055712 /nfs/dbraw/zinc/05/57/12/181055712.db2.gz BWTDTZJEXARMAO-CALCHBBNSA-N 0 0 246.313 3.991 10 30 BHEERN N#C[C@@H](C[C@H](C#N)c1ccccc1)c1ccccc1 ZINC000037627235 181055564 /nfs/dbraw/zinc/05/55/64/181055564.db2.gz BWTDTZJEXARMAO-IAGOWNOFSA-N 0 0 246.313 3.991 10 30 BHEERN CCc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000037629127 383991686 /nfs/dbraw/zinc/99/16/86/383991686.db2.gz FDVIWRDQDKPGNW-INIZCTEOSA-N 0 0 221.303 3.904 10 30 BHEERN CCc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000037629129 383990539 /nfs/dbraw/zinc/99/05/39/383990539.db2.gz FDVIWRDQDKPGNW-MRXNPFEDSA-N 0 0 221.303 3.904 10 30 BHEERN Cc1ccccc1[C@@H](C#N)c1ccccc1 ZINC000037629183 179316019 /nfs/dbraw/zinc/31/60/19/179316019.db2.gz DMWBULBEDMRBDP-HNNXBMFYSA-N 0 0 207.276 3.651 10 30 BHEERN Cc1ccccc1[C@H](C#N)c1ccccc1 ZINC000037629185 179333098 /nfs/dbraw/zinc/33/30/98/179333098.db2.gz DMWBULBEDMRBDP-OAHLLOKOSA-N 0 0 207.276 3.651 10 30 BHEERN Cc1ccccc1S[C@H]1CCC[C@@H]1C#N ZINC000037665763 179316546 /nfs/dbraw/zinc/31/65/46/179316546.db2.gz VDTJYNJSFKVIKF-YPMHNXCESA-N 0 0 217.337 3.779 10 30 BHEERN Cc1ccccc1S[C@H]1CCC[C@H]1C#N ZINC000037665765 179315587 /nfs/dbraw/zinc/31/55/87/179315587.db2.gz VDTJYNJSFKVIKF-AAEUAGOBSA-N 0 0 217.337 3.779 10 30 BHEERN C=C(Br)CNc1ccc(C)c(C)c1 ZINC000037681049 344540740 /nfs/dbraw/zinc/54/07/40/344540740.db2.gz FKKGTRWGVILJLQ-UHFFFAOYSA-N 0 0 240.144 3.624 10 30 BHEERN C=C(Br)CNc1cccc(Cl)c1 ZINC000037681050 364517025 /nfs/dbraw/zinc/51/70/25/364517025.db2.gz HBFVYRPCEYRIEY-UHFFFAOYSA-N 0 0 246.535 3.661 10 30 BHEERN C=C(Br)CNc1ccc(Cl)cc1 ZINC000037681054 364517040 /nfs/dbraw/zinc/51/70/40/364517040.db2.gz DXMGSVMXRVAVQA-UHFFFAOYSA-N 0 0 246.535 3.661 10 30 BHEERN C=C(Br)CNc1ccccc1Cl ZINC000037681070 364517046 /nfs/dbraw/zinc/51/70/46/364517046.db2.gz OMVAFRZMIWNSRZ-UHFFFAOYSA-N 0 0 246.535 3.661 10 30 BHEERN C=C(Br)CNc1cc(C)cc(C)c1 ZINC000037681094 344536731 /nfs/dbraw/zinc/53/67/31/344536731.db2.gz NFCNIDLTHHILBG-UHFFFAOYSA-N 0 0 240.144 3.624 10 30 BHEERN C=C(Br)CNc1cccc(CC)c1 ZINC000037681120 364517833 /nfs/dbraw/zinc/51/78/33/364517833.db2.gz VRVSEBBRPNXJCC-UHFFFAOYSA-N 0 0 240.144 3.570 10 30 BHEERN C=C(Br)CNc1cccc(C)c1C ZINC000037681138 364518085 /nfs/dbraw/zinc/51/80/85/364518085.db2.gz RPBSLPRJHCRHNF-UHFFFAOYSA-N 0 0 240.144 3.624 10 30 BHEERN C=C(Br)CNc1cc(C)ccc1C ZINC000037681140 364517616 /nfs/dbraw/zinc/51/76/16/364517616.db2.gz HVCWTJRLBKKLHP-UHFFFAOYSA-N 0 0 240.144 3.624 10 30 BHEERN CC(C)Sc1c(C#N)cnc2ccccc21 ZINC000037685557 167335026 /nfs/dbraw/zinc/33/50/26/167335026.db2.gz RYRVOFSWHOULIT-UHFFFAOYSA-N 0 0 228.320 3.607 10 30 BHEERN Cc1cc(C#N)ccc1N(C)Cc1ccccc1 ZINC000037732829 364563815 /nfs/dbraw/zinc/56/38/15/364563815.db2.gz IZPNIVVYULJLCT-UHFFFAOYSA-N 0 0 236.318 3.503 10 30 BHEERN Cc1cc(C#N)ccc1SC(C)(C)C ZINC000037733105 364563428 /nfs/dbraw/zinc/56/34/28/364563428.db2.gz KXWCZVFEQGYNAS-UHFFFAOYSA-N 0 0 205.326 3.757 10 30 BHEERN Cc1c(C)n(CCC2CCCCC2)c(N)c1C#N ZINC000037742057 177556167 /nfs/dbraw/zinc/55/61/67/177556167.db2.gz QHHBYDQKBVZXTG-UHFFFAOYSA-N 0 0 245.370 3.529 10 30 BHEERN N#Cc1ccc(NCCC2CCCCC2)c(N)c1 ZINC000037742109 181119915 /nfs/dbraw/zinc/11/99/15/181119915.db2.gz YIEWBUOYXMLQIW-UHFFFAOYSA-N 0 0 243.354 3.523 10 30 BHEERN C=CCCOCc1cc2ccccc2nc1Cl ZINC000037758394 166270953 /nfs/dbraw/zinc/27/09/53/166270953.db2.gz LQXMFSGGQVEYSQ-UHFFFAOYSA-N 0 0 247.725 3.981 10 30 BHEERN C[C@@H](CC#N)Nc1ccc(Cl)cc1Cl ZINC000037871141 350294278 /nfs/dbraw/zinc/29/42/78/350294278.db2.gz GKRVXEZDURNHDP-ZETCQYMHSA-N 0 0 229.110 3.707 10 30 BHEERN C[C@H](CC#N)Nc1ccc(Cl)cc1Cl ZINC000037871142 176596925 /nfs/dbraw/zinc/59/69/25/176596925.db2.gz GKRVXEZDURNHDP-SSDOTTSWSA-N 0 0 229.110 3.707 10 30 BHEERN CCC(C#N)(CC)c1cccc(Cl)c1 ZINC000037934391 350291988 /nfs/dbraw/zinc/29/19/88/350291988.db2.gz OVVLERVGCYEADB-UHFFFAOYSA-N 0 0 207.704 3.921 10 30 BHEERN CCC(C#N)(CC)c1ccc(Cl)cc1 ZINC000037934395 350291665 /nfs/dbraw/zinc/29/16/65/350291665.db2.gz BZFLWJPIASKROC-UHFFFAOYSA-N 0 0 207.704 3.921 10 30 BHEERN CCC(C#N)(CC)c1ccc(OC(F)F)cc1 ZINC000037934397 168260711 /nfs/dbraw/zinc/26/07/11/168260711.db2.gz JRASXPRWZOARIF-UHFFFAOYSA-N 0 0 239.265 3.869 10 30 BHEERN CCC(C#N)(CC)c1cc(C)ccc1OC ZINC000037934400 168260534 /nfs/dbraw/zinc/26/05/34/168260534.db2.gz GKTCYYNDEYAQNW-UHFFFAOYSA-N 0 0 217.312 3.585 10 30 BHEERN CCC(C#N)(CC)c1ccc(C)c(OC)c1 ZINC000037934419 168260473 /nfs/dbraw/zinc/26/04/73/168260473.db2.gz FALUKVMVOWBTRF-UHFFFAOYSA-N 0 0 217.312 3.585 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1cccc(F)c1 ZINC000037935229 181066333 /nfs/dbraw/zinc/06/63/33/181066333.db2.gz XDANAEAXICXNTQ-AWEZNQCLSA-N 0 0 226.254 3.502 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1cccc(F)c1 ZINC000037935230 181057581 /nfs/dbraw/zinc/05/75/81/181057581.db2.gz XDANAEAXICXNTQ-CQSZACIVSA-N 0 0 226.254 3.502 10 30 BHEERN Cc1cccc([C@@H](C#N)Nc2ccccc2)c1 ZINC000037935235 179179104 /nfs/dbraw/zinc/17/91/04/179179104.db2.gz ZQOBFBHXHCHZEN-OAHLLOKOSA-N 0 0 222.291 3.672 10 30 BHEERN Cc1cccc([C@H](C#N)Nc2ccccc2)c1 ZINC000037935236 179192141 /nfs/dbraw/zinc/19/21/41/179192141.db2.gz ZQOBFBHXHCHZEN-HNNXBMFYSA-N 0 0 222.291 3.672 10 30 BHEERN CCc1ccc([C@@H](C#N)Nc2ccccc2)cc1 ZINC000037935238 171829029 /nfs/dbraw/zinc/82/90/29/171829029.db2.gz SADAZMHMQWPGEU-MRXNPFEDSA-N 0 0 236.318 3.926 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1c(F)cccc1F ZINC000037935244 181066281 /nfs/dbraw/zinc/06/62/81/181066281.db2.gz QPPISGUTTUNRJA-ZDUSSCGKSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1c(F)cccc1F ZINC000037935245 181056894 /nfs/dbraw/zinc/05/68/94/181056894.db2.gz QPPISGUTTUNRJA-CYBMUJFWSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000037935246 181066320 /nfs/dbraw/zinc/06/63/20/181066320.db2.gz ITARXHSSOMPGKK-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000037935247 181057407 /nfs/dbraw/zinc/05/74/07/181057407.db2.gz ITARXHSSOMPGKK-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1ccc(F)cc1F ZINC000037935305 181065838 /nfs/dbraw/zinc/06/58/38/181065838.db2.gz ZDIZSTIXKABXIP-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1ccc(F)cc1F ZINC000037935306 181057013 /nfs/dbraw/zinc/05/70/13/181057013.db2.gz ZDIZSTIXKABXIP-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN Cc1ccccc1[C@@H](C#N)Nc1ccccc1 ZINC000037935320 179316363 /nfs/dbraw/zinc/31/63/63/179316363.db2.gz GHNZYRCDKRRTHU-OAHLLOKOSA-N 0 0 222.291 3.672 10 30 BHEERN Cc1ccccc1[C@H](C#N)Nc1ccccc1 ZINC000037935321 179333357 /nfs/dbraw/zinc/33/33/57/179333357.db2.gz GHNZYRCDKRRTHU-HNNXBMFYSA-N 0 0 222.291 3.672 10 30 BHEERN CCC1CCC(C#N)(Nc2ccccc2)CC1 ZINC000037935363 188471180 /nfs/dbraw/zinc/47/11/80/188471180.db2.gz LKXPCMNPDKYXBU-UHFFFAOYSA-N 0 0 228.339 3.961 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1ccccc1F ZINC000037935377 181066578 /nfs/dbraw/zinc/06/65/78/181066578.db2.gz FLZIJWQYPWVSLZ-AWEZNQCLSA-N 0 0 226.254 3.502 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1ccccc1F ZINC000037935378 181057137 /nfs/dbraw/zinc/05/71/37/181057137.db2.gz FLZIJWQYPWVSLZ-CQSZACIVSA-N 0 0 226.254 3.502 10 30 BHEERN N#C[C@@]1(Nc2ccccc2)CCCc2ccccc21 ZINC000037935393 181062414 /nfs/dbraw/zinc/06/24/14/181062414.db2.gz VLIUBCRZPSKTAZ-KRWDZBQOSA-N 0 0 248.329 3.854 10 30 BHEERN N#C[C@]1(Nc2ccccc2)CCCc2ccccc21 ZINC000037935394 181071581 /nfs/dbraw/zinc/07/15/81/181071581.db2.gz VLIUBCRZPSKTAZ-QGZVFWFLSA-N 0 0 248.329 3.854 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1cc(F)ccc1F ZINC000037935420 181066074 /nfs/dbraw/zinc/06/60/74/181066074.db2.gz NTGPYZIFNFQUMH-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1cc(F)ccc1F ZINC000037935421 181057307 /nfs/dbraw/zinc/05/73/07/181057307.db2.gz NTGPYZIFNFQUMH-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN Cc1ccc([C@H](C#N)Nc2ccccc2)cc1C ZINC000037935426 178882200 /nfs/dbraw/zinc/88/22/00/178882200.db2.gz LUVVKISVRAEEGW-INIZCTEOSA-N 0 0 236.318 3.980 10 30 BHEERN C[C@@](C#N)(Nc1ccccc1)C1CCCCC1 ZINC000037935433 176508246 /nfs/dbraw/zinc/50/82/46/176508246.db2.gz DZHQWHYAOOGXEI-HNNXBMFYSA-N 0 0 228.339 3.961 10 30 BHEERN N#C[C@@]1(Nc2ccccc2)CCc2ccccc2C1 ZINC000037935434 181062437 /nfs/dbraw/zinc/06/24/37/181062437.db2.gz LLOHEGNBYQFMMT-QGZVFWFLSA-N 0 0 248.329 3.550 10 30 BHEERN N#C[C@]1(Nc2ccccc2)CCc2ccccc2C1 ZINC000037935435 181071878 /nfs/dbraw/zinc/07/18/78/181071878.db2.gz LLOHEGNBYQFMMT-KRWDZBQOSA-N 0 0 248.329 3.550 10 30 BHEERN COC(C)(C)C[C@@](C)(C#N)Nc1ccc(C)cc1 ZINC000037935464 173947763 /nfs/dbraw/zinc/94/77/63/173947763.db2.gz AJTHQHIHLPRKRD-HNNXBMFYSA-N 0 0 246.354 3.504 10 30 BHEERN Cc1ccc(N[C@@H](C#N)c2cccc(F)c2)cc1 ZINC000037935479 178769284 /nfs/dbraw/zinc/76/92/84/178769284.db2.gz ZQYZKBSKUKKXEL-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccc(N[C@]2(C#N)CCCC[C@@H]2C)cc1 ZINC000037935500 178779121 /nfs/dbraw/zinc/77/91/21/178779121.db2.gz TUTMINADDUAXSN-ZFWWWQNUSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccc(N[C@@]2(C#N)CCCC[C@H]2C)cc1 ZINC000037935503 178774769 /nfs/dbraw/zinc/77/47/69/178774769.db2.gz TUTMINADDUAXSN-UKRRQHHQSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccc(N[C@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000037935508 178779855 /nfs/dbraw/zinc/77/98/55/178779855.db2.gz UPFRAUMFJLVJTF-DZGCQCFKSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccc(N[C@H](C#N)C2CCCCC2)cc1 ZINC000037935513 178775544 /nfs/dbraw/zinc/77/55/44/178775544.db2.gz PCVJHIDBTKSOPP-OAHLLOKOSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccc(N[C@@H](C#N)Cc2ccccc2)cc1 ZINC000037935524 178769688 /nfs/dbraw/zinc/76/96/88/178769688.db2.gz ZOFPKSGIUJIGTC-MRXNPFEDSA-N 0 0 236.318 3.542 10 30 BHEERN Cc1ccc(N[C@@]2(C#N)CCc3ccccc32)cc1 ZINC000037935561 178774804 /nfs/dbraw/zinc/77/48/04/178774804.db2.gz SHBFXSHLWFRVBM-QGZVFWFLSA-N 0 0 248.329 3.772 10 30 BHEERN Cc1ccc(N[C@@H](C#N)c2ccc(C#N)cc2)cc1 ZINC000037935564 178769536 /nfs/dbraw/zinc/76/95/36/178769536.db2.gz DNWOWGQNCDFYCI-INIZCTEOSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1ccc(N[C@@H](C#N)c2ccc(F)cc2)cc1 ZINC000037935570 178769212 /nfs/dbraw/zinc/76/92/12/178769212.db2.gz SAWZXIMZEOIYDS-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN N#C[C@@H](Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000037935724 181056884 /nfs/dbraw/zinc/05/68/84/181056884.db2.gz VOMHASLEUVUGCU-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000037935725 181065921 /nfs/dbraw/zinc/06/59/21/181065921.db2.gz VOMHASLEUVUGCU-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN Cc1cccc([C@@H](C#N)Nc2ccc(F)cc2)c1 ZINC000037935730 179179642 /nfs/dbraw/zinc/17/96/42/179179642.db2.gz STBSOKXFPQFAIP-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc([C@H](C#N)Nc2ccc(F)cc2)c1 ZINC000037935731 179191554 /nfs/dbraw/zinc/19/15/54/179191554.db2.gz STBSOKXFPQFAIP-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C#N)Nc1ccc(F)cc1 ZINC000037935747 176083739 /nfs/dbraw/zinc/08/37/39/176083739.db2.gz YWSYDHSZXOXRML-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCCC[C@@]1(C#N)Nc1ccc(F)cc1 ZINC000037935748 177084492 /nfs/dbraw/zinc/08/44/92/177084492.db2.gz YWSYDHSZXOXRML-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCCC[C@]1(C#N)Nc1ccc(F)cc1 ZINC000037935749 176090295 /nfs/dbraw/zinc/09/02/95/176090295.db2.gz YWSYDHSZXOXRML-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCCC[C@]1(C#N)Nc1ccc(F)cc1 ZINC000037935750 177090124 /nfs/dbraw/zinc/09/01/24/177090124.db2.gz YWSYDHSZXOXRML-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)C1 ZINC000037935759 176133228 /nfs/dbraw/zinc/13/32/28/176133228.db2.gz IEGKJESYBRLCEJ-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCC[C@@](C#N)(Nc2ccc(F)cc2)C1 ZINC000037935760 177127498 /nfs/dbraw/zinc/12/74/98/177127498.db2.gz IEGKJESYBRLCEJ-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)C1 ZINC000037935761 176151379 /nfs/dbraw/zinc/15/13/79/176151379.db2.gz IEGKJESYBRLCEJ-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCC[C@](C#N)(Nc2ccc(F)cc2)C1 ZINC000037935762 177143486 /nfs/dbraw/zinc/14/34/86/177143486.db2.gz IEGKJESYBRLCEJ-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@H](Nc1ccc(F)cc1)C1CCCCC1 ZINC000037935763 181065650 /nfs/dbraw/zinc/06/56/50/181065650.db2.gz ZNPIFTYWMZJUEO-AWEZNQCLSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@@H](Nc1ccc(F)cc1)C1CCCCC1 ZINC000037935764 181057073 /nfs/dbraw/zinc/05/70/73/181057073.db2.gz ZNPIFTYWMZJUEO-CQSZACIVSA-N 0 0 232.302 3.710 10 30 BHEERN CC1CCC(C#N)(Nc2ccc(F)cc2)CC1 ZINC000037935789 168149895 /nfs/dbraw/zinc/14/98/95/168149895.db2.gz RPRNCUHOUFFMSG-UHFFFAOYSA-N 0 0 232.302 3.710 10 30 BHEERN N#CC1(Nc2ccc(F)cc2)CCCCCC1 ZINC000037935790 181030677 /nfs/dbraw/zinc/03/06/77/181030677.db2.gz CKUWNZFCGDWVQH-UHFFFAOYSA-N 0 0 232.302 3.854 10 30 BHEERN Cc1ccccc1[C@@H](C#N)Nc1ccc(F)cc1 ZINC000037935811 179316370 /nfs/dbraw/zinc/31/63/70/179316370.db2.gz XTMDAJZNDBTWQS-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1[C@H](C#N)Nc1ccc(F)cc1 ZINC000037935812 179333469 /nfs/dbraw/zinc/33/34/69/179333469.db2.gz XTMDAJZNDBTWQS-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccc([C@H](C#N)Nc2ccc(F)cc2)cc1 ZINC000037935816 178882753 /nfs/dbraw/zinc/88/27/53/178882753.db2.gz RPRMRZHWXYZRCC-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN N#C[C@@H](Nc1ccc(F)cc1)c1ccccc1F ZINC000037935886 181057496 /nfs/dbraw/zinc/05/74/96/181057496.db2.gz AOAOXMHYUKNSCX-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1ccc(F)cc1)c1ccccc1F ZINC000037935887 181065590 /nfs/dbraw/zinc/06/55/90/181065590.db2.gz AOAOXMHYUKNSCX-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN CC(C)CC[C@](C)(C#N)Nc1ccc(F)cc1 ZINC000037935889 166914675 /nfs/dbraw/zinc/91/46/75/166914675.db2.gz PKOSMFOXUVBZEN-CQSZACIVSA-N 0 0 234.318 3.956 10 30 BHEERN N#C[C@@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000037935890 181056913 /nfs/dbraw/zinc/05/69/13/181056913.db2.gz FNLVMEVSARVMMB-CQSZACIVSA-N 0 0 226.254 3.502 10 30 BHEERN N#C[C@H](Nc1ccc(F)cc1)c1ccccc1 ZINC000037935891 181065583 /nfs/dbraw/zinc/06/55/83/181065583.db2.gz FNLVMEVSARVMMB-AWEZNQCLSA-N 0 0 226.254 3.502 10 30 BHEERN CCCCC[C@H](C#N)Nc1ccc(OC)cc1 ZINC000037936440 168741699 /nfs/dbraw/zinc/74/16/99/168741699.db2.gz HPJFLLBDIIBXJT-CYBMUJFWSA-N 0 0 232.327 3.580 10 30 BHEERN CCCC(C#N)(CCC)Nc1ccc(OC)cc1 ZINC000037936449 168572353 /nfs/dbraw/zinc/57/23/53/168572353.db2.gz ICLRFJVCCCXPGF-UHFFFAOYSA-N 0 0 246.354 3.970 10 30 BHEERN COc1ccc(N[C@]2(C#N)CCCC[C@H]2C)cc1 ZINC000037936477 175156057 /nfs/dbraw/zinc/15/60/57/175156057.db2.gz GRRSJFHSXWGCQD-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@]2(C#N)CCCC[C@@H]2C)cc1 ZINC000037936478 175155916 /nfs/dbraw/zinc/15/59/16/175155916.db2.gz GRRSJFHSXWGCQD-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@@]2(C#N)CCCC[C@H]2C)cc1 ZINC000037936479 175154950 /nfs/dbraw/zinc/15/49/50/175154950.db2.gz GRRSJFHSXWGCQD-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@@]2(C#N)CCCC[C@@H]2C)cc1 ZINC000037936480 175154482 /nfs/dbraw/zinc/15/44/82/175154482.db2.gz GRRSJFHSXWGCQD-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000037936489 175156223 /nfs/dbraw/zinc/15/62/23/175156223.db2.gz KKDJEFXGPQHJQE-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000037936490 175156206 /nfs/dbraw/zinc/15/62/06/175156206.db2.gz KKDJEFXGPQHJQE-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 ZINC000037936491 175154933 /nfs/dbraw/zinc/15/49/33/175154933.db2.gz KKDJEFXGPQHJQE-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@@]2(C#N)CCC[C@H](C)C2)cc1 ZINC000037936492 175154941 /nfs/dbraw/zinc/15/49/41/175154941.db2.gz KKDJEFXGPQHJQE-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@@H](C#N)C2CCCCC2)cc1 ZINC000037936493 175153621 /nfs/dbraw/zinc/15/36/21/175153621.db2.gz ZYJRPNJAJMMICF-HNNXBMFYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@H](C#N)C2CCCCC2)cc1 ZINC000037936494 175154576 /nfs/dbraw/zinc/15/45/76/175154576.db2.gz ZYJRPNJAJMMICF-OAHLLOKOSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(NC2(C#N)CCC(C)CC2)cc1 ZINC000037936517 175149425 /nfs/dbraw/zinc/14/94/25/175149425.db2.gz LHOKKQPSVZEAAR-UHFFFAOYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(NC2(C#N)CCCCCC2)cc1 ZINC000037936518 175150057 /nfs/dbraw/zinc/15/00/57/175150057.db2.gz OKDGGYYOSSYFIZ-UHFFFAOYSA-N 0 0 244.338 3.724 10 30 BHEERN COc1ccc(N[C@](C)(C#N)CCC(C)C)cc1 ZINC000037936592 175156101 /nfs/dbraw/zinc/15/61/01/175156101.db2.gz AYEQXPNYGGPZKA-HNNXBMFYSA-N 0 0 246.354 3.826 10 30 BHEERN COc1ccc(N[C@@](C)(C#N)CCC(C)C)cc1 ZINC000037936593 175154484 /nfs/dbraw/zinc/15/44/84/175154484.db2.gz AYEQXPNYGGPZKA-OAHLLOKOSA-N 0 0 246.354 3.826 10 30 BHEERN COC(C)(C)C[C@@](C)(C#N)Nc1cccc(C)c1 ZINC000037936655 173947752 /nfs/dbraw/zinc/94/77/52/173947752.db2.gz LXECBBSVBPASOH-HNNXBMFYSA-N 0 0 246.354 3.504 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2cccc(F)c2)c1 ZINC000037936671 179152160 /nfs/dbraw/zinc/15/21/60/179152160.db2.gz JQJTZLULKURZGT-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2cccc(F)c2)c1 ZINC000037936672 179156037 /nfs/dbraw/zinc/15/60/37/179156037.db2.gz JQJTZLULKURZGT-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2cccc(C)c2)c1 ZINC000037936677 179156665 /nfs/dbraw/zinc/15/66/65/179156665.db2.gz IIBIXHCDHHSCIW-MRXNPFEDSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2cccc(C)c2)c1 ZINC000037936678 179151272 /nfs/dbraw/zinc/15/12/72/179151272.db2.gz IIBIXHCDHHSCIW-INIZCTEOSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1cccc(N[C@]2(C#N)CCCC[C@@H]2C)c1 ZINC000037936694 179158420 /nfs/dbraw/zinc/15/84/20/179158420.db2.gz CRWTULUYLCUDPO-ZFWWWQNUSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@@]2(C#N)CCCC[C@@H]2C)c1 ZINC000037936695 179156543 /nfs/dbraw/zinc/15/65/43/179156543.db2.gz CRWTULUYLCUDPO-DZGCQCFKSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@]2(C#N)CCCC[C@H]2C)c1 ZINC000037936696 179159618 /nfs/dbraw/zinc/15/96/18/179159618.db2.gz CRWTULUYLCUDPO-HIFRSBDPSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@@]2(C#N)CCCC[C@H]2C)c1 ZINC000037936697 179156372 /nfs/dbraw/zinc/15/63/72/179156372.db2.gz CRWTULUYLCUDPO-UKRRQHHQSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000037936702 179158561 /nfs/dbraw/zinc/15/85/61/179158561.db2.gz DXAMQWCDZBNKLE-DZGCQCFKSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000037936703 179155932 /nfs/dbraw/zinc/15/59/32/179155932.db2.gz DXAMQWCDZBNKLE-ZFWWWQNUSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000037936704 179158995 /nfs/dbraw/zinc/15/89/95/179158995.db2.gz DXAMQWCDZBNKLE-UKRRQHHQSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000037936705 179155977 /nfs/dbraw/zinc/15/59/77/179155977.db2.gz DXAMQWCDZBNKLE-HIFRSBDPSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@@H](C#N)C2CCCCC2)c1 ZINC000037936706 179152407 /nfs/dbraw/zinc/15/24/07/179152407.db2.gz BPIYVQWOEPTUPG-HNNXBMFYSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@H](C#N)C2CCCCC2)c1 ZINC000037936707 179156404 /nfs/dbraw/zinc/15/64/04/179156404.db2.gz BPIYVQWOEPTUPG-OAHLLOKOSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1cccc(N[C@H](C#N)Cc2ccccc2)c1 ZINC000037936717 179156272 /nfs/dbraw/zinc/15/62/72/179156272.db2.gz FXVUSMLXQZCMFQ-INIZCTEOSA-N 0 0 236.318 3.542 10 30 BHEERN Cc1cccc(N[C@@H](C#N)Cc2ccccc2)c1 ZINC000037936718 179151260 /nfs/dbraw/zinc/15/12/60/179151260.db2.gz FXVUSMLXQZCMFQ-MRXNPFEDSA-N 0 0 236.318 3.542 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2cccc(C#N)c2)c1 ZINC000037936725 179151573 /nfs/dbraw/zinc/15/15/73/179151573.db2.gz JIAWPMOBLDKJLW-INIZCTEOSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2cccc(C#N)c2)c1 ZINC000037936726 179155958 /nfs/dbraw/zinc/15/59/58/179155958.db2.gz JIAWPMOBLDKJLW-MRXNPFEDSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2ccccc2C)c1 ZINC000037936755 179151621 /nfs/dbraw/zinc/15/16/21/179151621.db2.gz AFIKYGPHMAGHLY-INIZCTEOSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2ccccc2C)c1 ZINC000037936756 179156717 /nfs/dbraw/zinc/15/67/17/179156717.db2.gz AFIKYGPHMAGHLY-MRXNPFEDSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1cccc(N[C@]2(C#N)CCc3ccccc32)c1 ZINC000037936757 179159063 /nfs/dbraw/zinc/15/90/63/179159063.db2.gz VEQOCYKOJSVNLO-KRWDZBQOSA-N 0 0 248.329 3.772 10 30 BHEERN Cc1cccc(N[C@@]2(C#N)CCc3ccccc32)c1 ZINC000037936758 179156691 /nfs/dbraw/zinc/15/66/91/179156691.db2.gz VEQOCYKOJSVNLO-QGZVFWFLSA-N 0 0 248.329 3.772 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2ccc(C#N)cc2)c1 ZINC000037936762 179155935 /nfs/dbraw/zinc/15/59/35/179155935.db2.gz ZYCFXNKDUDZOSC-MRXNPFEDSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2ccc(F)cc2)c1 ZINC000037936769 179152143 /nfs/dbraw/zinc/15/21/43/179152143.db2.gz VHEHSAIGSQYNHT-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2ccc(F)cc2)c1 ZINC000037936770 179156168 /nfs/dbraw/zinc/15/61/68/179156168.db2.gz VHEHSAIGSQYNHT-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc(N[C@@H](C#N)[C@H]2CC=CCC2)c1 ZINC000037936820 179151720 /nfs/dbraw/zinc/15/17/20/179151720.db2.gz JJVPGMMRZDRWAV-ZFWWWQNUSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1cccc(N[C@H](C#N)[C@H]2CC=CCC2)c1 ZINC000037936821 179156664 /nfs/dbraw/zinc/15/66/64/179156664.db2.gz JJVPGMMRZDRWAV-DZGCQCFKSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1cccc(N[C@@H](C#N)[C@@H]2CC=CCC2)c1 ZINC000037936822 179151881 /nfs/dbraw/zinc/15/18/81/179151881.db2.gz JJVPGMMRZDRWAV-HIFRSBDPSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1cccc(N[C@H](C#N)[C@@H]2CC=CCC2)c1 ZINC000037936823 179156186 /nfs/dbraw/zinc/15/61/86/179156186.db2.gz JJVPGMMRZDRWAV-UKRRQHHQSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2ccccc2F)c1 ZINC000037936832 179151323 /nfs/dbraw/zinc/15/13/23/179151323.db2.gz AXUDJAKLKKVOCH-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2ccccc2F)c1 ZINC000037936833 179156114 /nfs/dbraw/zinc/15/61/14/179156114.db2.gz AXUDJAKLKKVOCH-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc(N[C@@H](C#N)c2ccccc2)c1 ZINC000037936836 179151320 /nfs/dbraw/zinc/15/13/20/179151320.db2.gz ZOLWTYHOBNDSPX-HNNXBMFYSA-N 0 0 222.291 3.672 10 30 BHEERN Cc1cccc(N[C@H](C#N)c2ccccc2)c1 ZINC000037936837 179156503 /nfs/dbraw/zinc/15/65/03/179156503.db2.gz ZOLWTYHOBNDSPX-OAHLLOKOSA-N 0 0 222.291 3.672 10 30 BHEERN N#C[C@@H](Nc1cccc(F)c1)c1cccc(F)c1 ZINC000037936929 181057488 /nfs/dbraw/zinc/05/74/88/181057488.db2.gz WZGIPDWMAKJLJN-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1cccc(F)c1)c1cccc(F)c1 ZINC000037936930 181066325 /nfs/dbraw/zinc/06/63/25/181066325.db2.gz WZGIPDWMAKJLJN-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN Cc1cccc([C@@H](C#N)Nc2cccc(F)c2)c1 ZINC000037936935 179179159 /nfs/dbraw/zinc/17/91/59/179179159.db2.gz WYFVZZROKFLGEH-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc([C@H](C#N)Nc2cccc(F)c2)c1 ZINC000037936936 179191863 /nfs/dbraw/zinc/19/18/63/179191863.db2.gz WYFVZZROKFLGEH-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C#N)Nc1cccc(F)c1 ZINC000037936952 176083547 /nfs/dbraw/zinc/08/35/47/176083547.db2.gz NWALMDHVKQDZSM-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCCC[C@@]1(C#N)Nc1cccc(F)c1 ZINC000037936953 177084170 /nfs/dbraw/zinc/08/41/70/177084170.db2.gz NWALMDHVKQDZSM-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCCC[C@]1(C#N)Nc1cccc(F)c1 ZINC000037936954 176090501 /nfs/dbraw/zinc/09/05/01/176090501.db2.gz NWALMDHVKQDZSM-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCCC[C@]1(C#N)Nc1cccc(F)c1 ZINC000037936955 177090126 /nfs/dbraw/zinc/09/01/26/177090126.db2.gz NWALMDHVKQDZSM-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)C1 ZINC000037936964 176133120 /nfs/dbraw/zinc/13/31/20/176133120.db2.gz FIRMDKSWYAKOKO-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCC[C@@](C#N)(Nc2cccc(F)c2)C1 ZINC000037936965 177127514 /nfs/dbraw/zinc/12/75/14/177127514.db2.gz FIRMDKSWYAKOKO-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCC[C@](C#N)(Nc2cccc(F)c2)C1 ZINC000037936966 176151603 /nfs/dbraw/zinc/15/16/03/176151603.db2.gz FIRMDKSWYAKOKO-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCC[C@](C#N)(Nc2cccc(F)c2)C1 ZINC000037936967 177143303 /nfs/dbraw/zinc/14/33/03/177143303.db2.gz FIRMDKSWYAKOKO-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@H](Nc1cccc(F)c1)C1CCCCC1 ZINC000037936968 181065992 /nfs/dbraw/zinc/06/59/92/181065992.db2.gz CTRJGTNPNPORFO-AWEZNQCLSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@@H](Nc1cccc(F)c1)C1CCCCC1 ZINC000037936969 181057132 /nfs/dbraw/zinc/05/71/32/181057132.db2.gz CTRJGTNPNPORFO-CQSZACIVSA-N 0 0 232.302 3.710 10 30 BHEERN CC1CCC(C#N)(Nc2cccc(F)c2)CC1 ZINC000037936994 168149980 /nfs/dbraw/zinc/14/99/80/168149980.db2.gz ZHNRSVSNPWGMQA-UHFFFAOYSA-N 0 0 232.302 3.710 10 30 BHEERN N#CC1(Nc2cccc(F)c2)CCCCCC1 ZINC000037936995 181030988 /nfs/dbraw/zinc/03/09/88/181030988.db2.gz QHYXULOOVVHFQQ-UHFFFAOYSA-N 0 0 232.302 3.854 10 30 BHEERN Cc1ccccc1[C@@H](C#N)Nc1cccc(F)c1 ZINC000037937018 179316368 /nfs/dbraw/zinc/31/63/68/179316368.db2.gz CUXODZIHSFZLPO-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1[C@H](C#N)Nc1cccc(F)c1 ZINC000037937019 179333472 /nfs/dbraw/zinc/33/34/72/179333472.db2.gz CUXODZIHSFZLPO-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN N#C[C@H](Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000037937032 181066359 /nfs/dbraw/zinc/06/63/59/181066359.db2.gz JOXUZRQHMRRYLE-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000037937033 181057422 /nfs/dbraw/zinc/05/74/22/181057422.db2.gz JOXUZRQHMRRYLE-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1cccc(F)c1)c1ccccc1F ZINC000037937095 181056882 /nfs/dbraw/zinc/05/68/82/181056882.db2.gz BTTRECXKUKWWMX-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@H](Nc1cccc(F)c1)c1ccccc1F ZINC000037937096 181065658 /nfs/dbraw/zinc/06/56/58/181065658.db2.gz BTTRECXKUKWWMX-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1cccc(F)c1)c1ccccc1 ZINC000037937099 181057508 /nfs/dbraw/zinc/05/75/08/181057508.db2.gz ZUKBZFJHJWMLKX-CQSZACIVSA-N 0 0 226.254 3.502 10 30 BHEERN N#C[C@H](Nc1cccc(F)c1)c1ccccc1 ZINC000037937100 181065946 /nfs/dbraw/zinc/06/59/46/181065946.db2.gz ZUKBZFJHJWMLKX-AWEZNQCLSA-N 0 0 226.254 3.502 10 30 BHEERN CC(C)C[C@H](C#N)Nc1cccc(Cl)c1 ZINC000037937306 187253973 /nfs/dbraw/zinc/25/39/73/187253973.db2.gz DCNDBWJJWAMUEX-GFCCVEGCSA-N 0 0 222.719 3.690 10 30 BHEERN COc1cccc(N[C@]2(C#N)CCCC[C@H]2C)c1 ZINC000037937702 175280132 /nfs/dbraw/zinc/28/01/32/175280132.db2.gz JJDFZXPBFDICLB-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@]2(C#N)CCCC[C@@H]2C)c1 ZINC000037937703 175279946 /nfs/dbraw/zinc/27/99/46/175279946.db2.gz JJDFZXPBFDICLB-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@@]2(C#N)CCCC[C@H]2C)c1 ZINC000037937704 175280158 /nfs/dbraw/zinc/28/01/58/175280158.db2.gz JJDFZXPBFDICLB-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@@]2(C#N)CCCC[C@@H]2C)c1 ZINC000037937705 175280196 /nfs/dbraw/zinc/28/01/96/175280196.db2.gz JJDFZXPBFDICLB-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000037937714 175280019 /nfs/dbraw/zinc/28/00/19/175280019.db2.gz QJXFMGKZWLANFM-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@]2(C#N)CCC[C@H](C)C2)c1 ZINC000037937715 175280284 /nfs/dbraw/zinc/28/02/84/175280284.db2.gz QJXFMGKZWLANFM-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000037937716 175279919 /nfs/dbraw/zinc/27/99/19/175279919.db2.gz QJXFMGKZWLANFM-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@@]2(C#N)CCC[C@H](C)C2)c1 ZINC000037937717 175279794 /nfs/dbraw/zinc/27/97/94/175279794.db2.gz QJXFMGKZWLANFM-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@@H](C#N)C2CCCCC2)c1 ZINC000037937718 175279485 /nfs/dbraw/zinc/27/94/85/175279485.db2.gz OHJZGUREOWUHOP-HNNXBMFYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(N[C@H](C#N)C2CCCCC2)c1 ZINC000037937719 175280079 /nfs/dbraw/zinc/28/00/79/175280079.db2.gz OHJZGUREOWUHOP-OAHLLOKOSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(NC2(C#N)CCC(C)CC2)c1 ZINC000037937742 175278058 /nfs/dbraw/zinc/27/80/58/175278058.db2.gz OPFWAYRHIILJSZ-UHFFFAOYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1cccc(NC2(C#N)CCCCCC2)c1 ZINC000037937743 175278574 /nfs/dbraw/zinc/27/85/74/175278574.db2.gz SCDDRROAHKYUQR-UHFFFAOYSA-N 0 0 244.338 3.724 10 30 BHEERN COc1cccc(N[C@@](C)(C#N)CCC(C)C)c1 ZINC000037937822 175279988 /nfs/dbraw/zinc/27/99/88/175279988.db2.gz ASESFAHEMACVLK-OAHLLOKOSA-N 0 0 246.354 3.826 10 30 BHEERN COC(C)(C)C[C@](C)(C#N)Nc1ccccc1C ZINC000037937885 173950206 /nfs/dbraw/zinc/95/02/06/173950206.db2.gz XXYBHCBNMKLKRP-OAHLLOKOSA-N 0 0 246.354 3.504 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1cccc(F)c1 ZINC000037937899 179306256 /nfs/dbraw/zinc/30/62/56/179306256.db2.gz RMPUZTUMRWSMRA-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1cccc(F)c1 ZINC000037937900 179306864 /nfs/dbraw/zinc/30/68/64/179306864.db2.gz RMPUZTUMRWSMRA-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc([C@@H](C#N)Nc2ccccc2C)c1 ZINC000037937905 179178650 /nfs/dbraw/zinc/17/86/50/179178650.db2.gz CJMOQHCWILDYFK-MRXNPFEDSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1cccc([C@H](C#N)Nc2ccccc2C)c1 ZINC000037937906 179191565 /nfs/dbraw/zinc/19/15/65/179191565.db2.gz CJMOQHCWILDYFK-INIZCTEOSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1ccccc1N[C@]1(C#N)CCCC[C@@H]1C ZINC000037937922 179307006 /nfs/dbraw/zinc/30/70/06/179307006.db2.gz MDPVJVWKAPHPCO-ZFWWWQNUSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@@]1(C#N)CCCC[C@@H]1C ZINC000037937923 179307222 /nfs/dbraw/zinc/30/72/22/179307222.db2.gz MDPVJVWKAPHPCO-DZGCQCFKSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@]1(C#N)CCCC[C@H]1C ZINC000037937924 179306848 /nfs/dbraw/zinc/30/68/48/179306848.db2.gz MDPVJVWKAPHPCO-HIFRSBDPSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@@]1(C#N)CCCC[C@H]1C ZINC000037937925 179307055 /nfs/dbraw/zinc/30/70/55/179307055.db2.gz MDPVJVWKAPHPCO-UKRRQHHQSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@]1(C#N)CCC[C@H](C)C1 ZINC000037937930 179307264 /nfs/dbraw/zinc/30/72/64/179307264.db2.gz DXUSUQGLUGESEI-SWLSCSKDSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000037937931 179307435 /nfs/dbraw/zinc/30/74/35/179307435.db2.gz DXUSUQGLUGESEI-WFASDCNBSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000037937932 179307342 /nfs/dbraw/zinc/30/73/42/179307342.db2.gz DXUSUQGLUGESEI-IUODEOHRSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000037937933 179306877 /nfs/dbraw/zinc/30/68/77/179306877.db2.gz DXUSUQGLUGESEI-DOMZBBRYSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1cccc(C#N)c1 ZINC000037937951 179305912 /nfs/dbraw/zinc/30/59/12/179305912.db2.gz YDIPHNMGRVKOIC-INIZCTEOSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1cccc(C#N)c1 ZINC000037937952 179306871 /nfs/dbraw/zinc/30/68/71/179306871.db2.gz YDIPHNMGRVKOIC-MRXNPFEDSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1ccccc1NC1(C#N)CCC(C)CC1 ZINC000037937958 179303791 /nfs/dbraw/zinc/30/37/91/179303791.db2.gz XGTVFVGIXZPQLG-UHFFFAOYSA-N 0 0 228.339 3.879 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1ccccc1C ZINC000037937981 179307058 /nfs/dbraw/zinc/30/70/58/179307058.db2.gz UPZVYAUALYTRHY-MRXNPFEDSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1ccccc1C ZINC000037937982 179305394 /nfs/dbraw/zinc/30/53/94/179305394.db2.gz UPZVYAUALYTRHY-INIZCTEOSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1ccccc1N[C@]1(C#N)CCc2ccccc21 ZINC000037937983 179307141 /nfs/dbraw/zinc/30/71/41/179307141.db2.gz MQLMYKOYJBPEHD-KRWDZBQOSA-N 0 0 248.329 3.772 10 30 BHEERN Cc1ccccc1N[C@@]1(C#N)CCc2ccccc21 ZINC000037937984 179306588 /nfs/dbraw/zinc/30/65/88/179306588.db2.gz MQLMYKOYJBPEHD-QGZVFWFLSA-N 0 0 248.329 3.772 10 30 BHEERN Cc1ccc([C@@H](C#N)Nc2ccccc2C)cc1 ZINC000037937985 178831412 /nfs/dbraw/zinc/83/14/12/178831412.db2.gz RBZGYDYPDCYTKJ-MRXNPFEDSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1ccc(C#N)cc1 ZINC000037937987 179306321 /nfs/dbraw/zinc/30/63/21/179306321.db2.gz VHCIPJZWWIGTRO-INIZCTEOSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1ccc(C#N)cc1 ZINC000037937988 179307110 /nfs/dbraw/zinc/30/71/10/179307110.db2.gz VHCIPJZWWIGTRO-MRXNPFEDSA-N 0 0 247.301 3.543 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1ccc(F)cc1 ZINC000037937993 179306146 /nfs/dbraw/zinc/30/61/46/179306146.db2.gz HYRWGUUPYFTTLE-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1ccc(F)cc1 ZINC000037937994 179306603 /nfs/dbraw/zinc/30/66/03/179306603.db2.gz HYRWGUUPYFTTLE-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)[C@H]1CC=CCC1 ZINC000037938042 179305629 /nfs/dbraw/zinc/30/56/29/179305629.db2.gz ZHFSEALEKAMROP-ZFWWWQNUSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1ccccc1N[C@H](C#N)[C@H]1CC=CCC1 ZINC000037938043 179306608 /nfs/dbraw/zinc/30/66/08/179306608.db2.gz ZHFSEALEKAMROP-DZGCQCFKSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)[C@@H]1CC=CCC1 ZINC000037938044 179306080 /nfs/dbraw/zinc/30/60/80/179306080.db2.gz ZHFSEALEKAMROP-HIFRSBDPSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1ccccc1N[C@H](C#N)[C@@H]1CC=CCC1 ZINC000037938045 179306851 /nfs/dbraw/zinc/30/68/51/179306851.db2.gz ZHFSEALEKAMROP-UKRRQHHQSA-N 0 0 226.323 3.655 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1ccccc1F ZINC000037938052 179306207 /nfs/dbraw/zinc/30/62/07/179306207.db2.gz XEVMLEMSYHBAPV-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1ccccc1F ZINC000037938053 179306810 /nfs/dbraw/zinc/30/68/10/179306810.db2.gz XEVMLEMSYHBAPV-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1N[C@@H](C#N)c1ccccc1 ZINC000037938056 179305916 /nfs/dbraw/zinc/30/59/16/179305916.db2.gz JMXVLPCHVQMGSN-HNNXBMFYSA-N 0 0 222.291 3.672 10 30 BHEERN Cc1ccccc1N[C@H](C#N)c1ccccc1 ZINC000037938057 179306582 /nfs/dbraw/zinc/30/65/82/179306582.db2.gz JMXVLPCHVQMGSN-OAHLLOKOSA-N 0 0 222.291 3.672 10 30 BHEERN CCCCCC[C@H](C#N)Nc1ccccc1OC ZINC000037938614 168677531 /nfs/dbraw/zinc/67/75/31/168677531.db2.gz CUYSVWUUYLFEJE-CYBMUJFWSA-N 0 0 246.354 3.970 10 30 BHEERN COc1ccccc1N[C@]1(C#N)CCCC[C@H]1C ZINC000037938647 175339848 /nfs/dbraw/zinc/33/98/48/175339848.db2.gz ZWYONBJKWOCUJC-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@]1(C#N)CCCC[C@@H]1C ZINC000037938648 175340155 /nfs/dbraw/zinc/34/01/55/175340155.db2.gz ZWYONBJKWOCUJC-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@@]1(C#N)CCCC[C@H]1C ZINC000037938649 175338779 /nfs/dbraw/zinc/33/87/79/175338779.db2.gz ZWYONBJKWOCUJC-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@@]1(C#N)CCCC[C@@H]1C ZINC000037938650 175338495 /nfs/dbraw/zinc/33/84/95/175338495.db2.gz ZWYONBJKWOCUJC-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000037938659 175339515 /nfs/dbraw/zinc/33/95/15/175339515.db2.gz KIPLYKKCULEFIC-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@]1(C#N)CCC[C@H](C)C1 ZINC000037938660 175340115 /nfs/dbraw/zinc/34/01/15/175340115.db2.gz KIPLYKKCULEFIC-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000037938661 175339258 /nfs/dbraw/zinc/33/92/58/175339258.db2.gz KIPLYKKCULEFIC-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000037938662 175338486 /nfs/dbraw/zinc/33/84/86/175338486.db2.gz KIPLYKKCULEFIC-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1NC1(C#N)CCC(C)CC1 ZINC000037938685 175336704 /nfs/dbraw/zinc/33/67/04/175336704.db2.gz MEESYWDZKBAGIW-UHFFFAOYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccccc1NC1(C#N)CCCCCC1 ZINC000037938686 175336617 /nfs/dbraw/zinc/33/66/17/175336617.db2.gz HFMIQIKYLJVCJR-UHFFFAOYSA-N 0 0 244.338 3.724 10 30 BHEERN COc1ccccc1N[C@](C)(C#N)CCC(C)C ZINC000037938758 175339662 /nfs/dbraw/zinc/33/96/62/175339662.db2.gz IIIZECWKGRECEM-HNNXBMFYSA-N 0 0 246.354 3.826 10 30 BHEERN COc1ccccc1N[C@@](C)(C#N)CCC(C)C ZINC000037938759 175338577 /nfs/dbraw/zinc/33/85/77/175338577.db2.gz IIIZECWKGRECEM-OAHLLOKOSA-N 0 0 246.354 3.826 10 30 BHEERN N#C[C@H](Nc1ccccc1F)c1cccc(F)c1 ZINC000037938835 181066653 /nfs/dbraw/zinc/06/66/53/181066653.db2.gz NIGDTWXFLHDNEE-AWEZNQCLSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1ccccc1F)c1cccc(F)c1 ZINC000037938836 181057216 /nfs/dbraw/zinc/05/72/16/181057216.db2.gz NIGDTWXFLHDNEE-CQSZACIVSA-N 0 0 244.244 3.642 10 30 BHEERN Cc1cccc([C@@H](C#N)Nc2ccccc2F)c1 ZINC000037938841 179179187 /nfs/dbraw/zinc/17/91/87/179179187.db2.gz RNUBOYGFGXAHEV-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1cccc([C@H](C#N)Nc2ccccc2F)c1 ZINC000037938842 179192114 /nfs/dbraw/zinc/19/21/14/179192114.db2.gz RNUBOYGFGXAHEV-HNNXBMFYSA-N 0 0 240.281 3.811 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C#N)Nc1ccccc1F ZINC000037938858 176083618 /nfs/dbraw/zinc/08/36/18/176083618.db2.gz MHFRAEBRBBQXCD-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCCC[C@@]1(C#N)Nc1ccccc1F ZINC000037938859 177084746 /nfs/dbraw/zinc/08/47/46/177084746.db2.gz MHFRAEBRBBQXCD-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCCC[C@]1(C#N)Nc1ccccc1F ZINC000037938860 176090579 /nfs/dbraw/zinc/09/05/79/176090579.db2.gz MHFRAEBRBBQXCD-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCCC[C@]1(C#N)Nc1ccccc1F ZINC000037938861 177090382 /nfs/dbraw/zinc/09/03/82/177090382.db2.gz MHFRAEBRBBQXCD-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCC[C@@](C#N)(Nc2ccccc2F)C1 ZINC000037938870 176132746 /nfs/dbraw/zinc/13/27/46/176132746.db2.gz OCMMYDOTWYKDAK-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCC[C@@](C#N)(Nc2ccccc2F)C1 ZINC000037938871 177127525 /nfs/dbraw/zinc/12/75/25/177127525.db2.gz OCMMYDOTWYKDAK-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@@H]1CCC[C@](C#N)(Nc2ccccc2F)C1 ZINC000037938872 176151384 /nfs/dbraw/zinc/15/13/84/176151384.db2.gz OCMMYDOTWYKDAK-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN C[C@H]1CCC[C@](C#N)(Nc2ccccc2F)C1 ZINC000037938873 177143499 /nfs/dbraw/zinc/14/34/99/177143499.db2.gz OCMMYDOTWYKDAK-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@H](Nc1ccccc1F)C1CCCCC1 ZINC000037938874 181066789 /nfs/dbraw/zinc/06/67/89/181066789.db2.gz DXLBGDVTPXLLAB-AWEZNQCLSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@@H](Nc1ccccc1F)C1CCCCC1 ZINC000037938875 181057276 /nfs/dbraw/zinc/05/72/76/181057276.db2.gz DXLBGDVTPXLLAB-CQSZACIVSA-N 0 0 232.302 3.710 10 30 BHEERN CC1CCC(C#N)(Nc2ccccc2F)CC1 ZINC000037938898 168149418 /nfs/dbraw/zinc/14/94/18/168149418.db2.gz JJHUTTCNQJTWLP-UHFFFAOYSA-N 0 0 232.302 3.710 10 30 BHEERN N#CC1(Nc2ccccc2F)CCCCCC1 ZINC000037938899 181030911 /nfs/dbraw/zinc/03/09/11/181030911.db2.gz WFFXORFEEQDIJK-UHFFFAOYSA-N 0 0 232.302 3.854 10 30 BHEERN Cc1ccccc1[C@@H](C#N)Nc1ccccc1F ZINC000037938922 179316293 /nfs/dbraw/zinc/31/62/93/179316293.db2.gz UKZPUSHGHOQKND-OAHLLOKOSA-N 0 0 240.281 3.811 10 30 BHEERN Cc1ccccc1[C@H](C#N)Nc1ccccc1F ZINC000037938923 179333225 /nfs/dbraw/zinc/33/32/25/179333225.db2.gz 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ZINC000038064271 171347250 /nfs/dbraw/zinc/34/72/50/171347250.db2.gz HPWKZULCYHETSB-GZBFAFLISA-N 0 0 236.403 3.873 10 30 BHEERN CC[C@H](C)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000038064285 171345402 /nfs/dbraw/zinc/34/54/02/171345402.db2.gz QUWBMTOAKVBZSG-WFASDCNBSA-N 0 0 244.382 3.937 10 30 BHEERN CC[C@H](C)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000038064287 171347136 /nfs/dbraw/zinc/34/71/36/171347136.db2.gz QUWBMTOAKVBZSG-SWLSCSKDSA-N 0 0 244.382 3.937 10 30 BHEERN CC[C@H](C)N[C@@H](C#N)c1ccc2ccccc2c1 ZINC000038064291 171344962 /nfs/dbraw/zinc/34/49/62/171344962.db2.gz JKEUSXOOJQOZOF-LRDDRELGSA-N 0 0 238.334 3.793 10 30 BHEERN CC[C@H](C)N[C@H](C#N)c1ccc2ccccc2c1 ZINC000038064293 171347013 /nfs/dbraw/zinc/34/70/13/171347013.db2.gz JKEUSXOOJQOZOF-BLLLJJGKSA-N 0 0 238.334 3.793 10 30 BHEERN CC[C@H](C)N[C@@H](C#N)c1ccc(C(C)C)cc1 ZINC000038064341 171345010 /nfs/dbraw/zinc/34/50/10/171345010.db2.gz OSEUPKIAZYPQPO-WFASDCNBSA-N 0 0 230.355 3.763 10 30 BHEERN CC[C@H](C)N[C@H](C#N)c1ccc(C(C)C)cc1 ZINC000038064343 171347307 /nfs/dbraw/zinc/34/73/07/171347307.db2.gz OSEUPKIAZYPQPO-SWLSCSKDSA-N 0 0 230.355 3.763 10 30 BHEERN CC[C@H](C)NC1(C#N)CCC(C(C)(C)C)CC1 ZINC000038064611 171339283 /nfs/dbraw/zinc/33/92/83/171339283.db2.gz IMNLXYCQTRTFRK-OPFPJEHXSA-N 0 0 236.403 3.873 10 30 BHEERN CC[C@H](C)N[C@@H](C#N)c1cccc2ccccc21 ZINC000038064641 171345067 /nfs/dbraw/zinc/34/50/67/171345067.db2.gz IWQXDKPUXAGIMG-LRDDRELGSA-N 0 0 238.334 3.793 10 30 BHEERN CC[C@@H](C)N[C@H](C#N)c1cccc2ccccc21 ZINC000038064642 170757023 /nfs/dbraw/zinc/75/70/23/170757023.db2.gz IWQXDKPUXAGIMG-MLGOLLRUSA-N 0 0 238.334 3.793 10 30 BHEERN CC[C@H](C)N[C@H](C#N)c1cccc2ccccc21 ZINC000038064643 171347500 /nfs/dbraw/zinc/34/75/00/171347500.db2.gz IWQXDKPUXAGIMG-BLLLJJGKSA-N 0 0 238.334 3.793 10 30 BHEERN CC[C@H](C)N[C@]1(C#N)CCCCc2ccccc21 ZINC000038064741 171348487 /nfs/dbraw/zinc/34/84/87/171348487.db2.gz DUHKGLGQCXPLGI-BBRMVZONSA-N 0 0 242.366 3.520 10 30 BHEERN CC[C@H](C)N[C@@]1(C#N)CCCCc2ccccc21 ZINC000038064743 171347499 /nfs/dbraw/zinc/34/74/99/171347499.db2.gz DUHKGLGQCXPLGI-XJKSGUPXSA-N 0 0 242.366 3.520 10 30 BHEERN CCC(=O)c1cccc(-c2cccc(C#N)c2)c1 ZINC000038069637 168257202 /nfs/dbraw/zinc/25/72/02/168257202.db2.gz CIKZDCYLCRJHED-UHFFFAOYSA-N 0 0 235.286 3.818 10 30 BHEERN N#C[C@H](c1cccc(Cl)c1)N1CCCCCC1 ZINC000038086179 181066672 /nfs/dbraw/zinc/06/66/72/181066672.db2.gz RCAPJQDJWVMTFD-CQSZACIVSA-N 0 0 248.757 3.781 10 30 BHEERN N#C[C@@H](c1cccc(Cl)c1)N1CCCCCC1 ZINC000038086180 181057856 /nfs/dbraw/zinc/05/78/56/181057856.db2.gz RCAPJQDJWVMTFD-AWEZNQCLSA-N 0 0 248.757 3.781 10 30 BHEERN CCC1CCC(C#N)(N2CCCCCC2)CC1 ZINC000038086236 188290485 /nfs/dbraw/zinc/29/04/85/188290485.db2.gz ZOMYDHUOLFLDRO-UHFFFAOYSA-N 0 0 234.387 3.725 10 30 BHEERN Cc1cccc(C#CCCCc2ccccc2)n1 ZINC000038147823 188177710 /nfs/dbraw/zinc/17/77/10/188177710.db2.gz NJJSTWRJIALOHE-UHFFFAOYSA-N 0 0 235.330 3.764 10 30 in-vivo BHEERN CC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000038151943 187392639 /nfs/dbraw/zinc/39/26/39/187392639.db2.gz SAEQHTBHPNKKRX-IHWYPQMZSA-N 0 0 215.079 3.596 10 30 BHEERN c1cc(C2CCCCC2)ccc1OC[C@@H]1CO1 ZINC000038171453 183335191 /nfs/dbraw/zinc/33/51/91/183335191.db2.gz PWOUMDUXOSIEIV-OAHLLOKOSA-N 0 0 232.323 3.512 10 30 BHEERN c1cc(C2CCCCC2)ccc1OC[C@H]1CO1 ZINC000038171454 183334002 /nfs/dbraw/zinc/33/40/02/183334002.db2.gz PWOUMDUXOSIEIV-HNNXBMFYSA-N 0 0 232.323 3.512 10 30 BHEERN C[C@@H]1CC(=O)C=C2CC[C@@H](C(C)(C)C)C[C@@H]21 ZINC000038171694 343372454 /nfs/dbraw/zinc/37/24/54/343372454.db2.gz NPEWVIACCSYRRQ-MPKXVKKWSA-N 0 0 220.356 3.984 10 30 BHEERN C[C@@H]1CC(=O)C=C2CC[C@@H](C(C)(C)C)C[C@H]21 ZINC000038171696 188117127 /nfs/dbraw/zinc/11/71/27/188117127.db2.gz NPEWVIACCSYRRQ-QKCSRTOESA-N 0 0 220.356 3.984 10 30 BHEERN N#Cc1ccc(N2CCCCC2)c2ccccc12 ZINC000038212981 132314030 /nfs/dbraw/zinc/31/40/30/132314030.db2.gz RKRIJSUSKWFLIC-UHFFFAOYSA-N 0 0 236.318 3.702 10 30 BHEERN CC(=O)/C=C/c1ccc2sccc2c1 ZINC000038221033 188116868 /nfs/dbraw/zinc/11/68/68/188116868.db2.gz XAMWWKQYWAERTQ-NSCUHMNNSA-N 0 0 202.278 3.504 10 30 BHEERN CO/N=C(\Cc1ccc(C)cc1)c1ccccc1 ZINC000038272628 368408071 /nfs/dbraw/zinc/40/80/71/368408071.db2.gz OAYYONKMYCRDEW-WUKNDPDISA-N 0 0 239.318 3.588 10 30 BHEERN N#CCC(=O)c1ccc(Cl)c2ccccc12 ZINC000038284350 526443736 /nfs/dbraw/zinc/44/37/36/526443736.db2.gz UZJZOCCJBUJHPF-UHFFFAOYSA-N 0 0 229.666 3.590 10 30 BHEERN O=CCCCCCCCc1ccccc1 ZINC000038293245 343091610 /nfs/dbraw/zinc/09/16/10/343091610.db2.gz QHMWAGMIISEFEO-UHFFFAOYSA-N 0 0 204.313 3.769 10 30 BHEERN C=CCCC(O)(c1ccccc1)c1ccccc1 ZINC000038302672 368409643 /nfs/dbraw/zinc/40/96/43/368409643.db2.gz VCCIOGLCCKDHRD-UHFFFAOYSA-N 0 0 238.330 3.889 10 30 BHEERN COC[C@H](Cc1ccccc1)N=C1CCCCC1 ZINC000038327879 368407548 /nfs/dbraw/zinc/40/75/48/368407548.db2.gz FCVNMZWBXQFBHV-INIZCTEOSA-N 0 0 245.366 3.649 10 30 BHEERN N#Cc1ccccc1NC/C=C/c1ccccc1 ZINC000038339756 181148252 /nfs/dbraw/zinc/14/82/52/181148252.db2.gz DTXNNJVQVLXNRG-RMKNXTFCSA-N 0 0 234.302 3.684 10 30 BHEERN CCCN(CCC)c1ccc(C#N)c(Cl)c1 ZINC000038339781 364574733 /nfs/dbraw/zinc/57/47/33/364574733.db2.gz PHSDEYLHNVLWHD-UHFFFAOYSA-N 0 0 236.746 3.838 10 30 BHEERN C=C(C)/C=C(/OCC)C1=CC(C)(C)CCO1 ZINC000038363956 187318286 /nfs/dbraw/zinc/31/82/86/187318286.db2.gz FMUKUKGFNHYONW-FMIVXFBMSA-N 0 0 222.328 3.813 10 30 BHEERN Cc1cccc(-c2ccccc2O[C@@H](C)C#N)c1 ZINC000038364194 368409818 /nfs/dbraw/zinc/40/98/18/368409818.db2.gz PGBRZKXMPZPTLD-ZDUSSCGKSA-N 0 0 237.302 3.953 10 30 BHEERN Cc1cccc(-c2ccccc2O[C@H](C)C#N)c1 ZINC000038364195 368409163 /nfs/dbraw/zinc/40/91/63/368409163.db2.gz PGBRZKXMPZPTLD-CYBMUJFWSA-N 0 0 237.302 3.953 10 30 BHEERN N#Cc1ccc(-n2ccc3ccccc32)cc1 ZINC000038392420 372568056 /nfs/dbraw/zinc/56/80/56/372568056.db2.gz RBIUGBUMKLMULN-UHFFFAOYSA-N 0 0 218.259 3.502 10 30 BHEERN C=CC[C@H](CO)CCCCOCc1ccccc1 ZINC000038418577 368409007 /nfs/dbraw/zinc/40/90/07/368409007.db2.gz VCCRSRBAPGKQMV-HNNXBMFYSA-N 0 0 248.366 3.558 10 30 BHEERN C=CCCCCCCCCCOC[C@@H]1CO1 ZINC000038588937 518699640 /nfs/dbraw/zinc/69/96/40/518699640.db2.gz YSTQDEIJJRSQEG-CQSZACIVSA-N 0 0 226.360 3.709 10 30 BHEERN C=CCCCCCCCCCOC[C@H]1CO1 ZINC000038588942 518699863 /nfs/dbraw/zinc/69/98/63/518699863.db2.gz YSTQDEIJJRSQEG-AWEZNQCLSA-N 0 0 226.360 3.709 10 30 BHEERN N#CCCc1ccccc1OCc1ccccc1 ZINC000038590312 358170115 /nfs/dbraw/zinc/17/01/15/358170115.db2.gz PFAFUJJKPQVDEV-UHFFFAOYSA-N 0 0 237.302 3.722 10 30 BHEERN N#CCCc1ccc(OCc2ccccc2)cc1 ZINC000038590315 358170136 /nfs/dbraw/zinc/17/01/36/358170136.db2.gz ANDLBNXXIRTSSQ-UHFFFAOYSA-N 0 0 237.302 3.722 10 30 BHEERN CCC(=O)/C=C/[C@@H]1[C@H](C)C=CCC1(C)C ZINC000038611117 168196601 /nfs/dbraw/zinc/19/66/01/168196601.db2.gz ZQJCPDKTEXSWTH-UULPFXLMSA-N 0 0 206.329 3.760 10 30 endogenous,in-man BHEERN CCC(=O)/C=C/[C@H]1[C@H](C)C=CCC1(C)C ZINC000038611118 168196745 /nfs/dbraw/zinc/19/67/45/168196745.db2.gz ZQJCPDKTEXSWTH-UZPJXDOOSA-N 0 0 206.329 3.760 10 30 endogenous,in-man BHEERN C=C(C)C(=O)OCC[C@@H](C)CCC=C(C)C ZINC000038613579 350319113 /nfs/dbraw/zinc/31/91/13/350319113.db2.gz ODMBLKQTVUQJFT-ZDUSSCGKSA-N 0 0 224.344 3.878 10 30 BHEERN C=C(C)C(=O)OCC[C@H](C)CCC=C(C)C ZINC000038613582 350319192 /nfs/dbraw/zinc/31/91/92/350319192.db2.gz ODMBLKQTVUQJFT-CYBMUJFWSA-N 0 0 224.344 3.878 10 30 BHEERN C=C(C)[C@H]1C[C@H]2[C@H](C1)[C@H](CO)CCC[C@@H]2C ZINC000038647773 188177883 /nfs/dbraw/zinc/17/78/83/188177883.db2.gz FESUBAPWUIYMFG-BTFPBAQTSA-N 0 0 222.372 3.633 10 30 BHEERN N#Cc1ccc(CCCc2ccc(C#N)cc2)cc1 ZINC000038652717 358179435 /nfs/dbraw/zinc/17/94/35/358179435.db2.gz WHOHOGUGUORXFY-UHFFFAOYSA-N 0 0 246.313 3.605 10 30 BHEERN C=C(C)c1cccc2cccc(OC(C)=O)c21 ZINC000038763764 350112010 /nfs/dbraw/zinc/11/20/10/350112010.db2.gz XGBDPIQINGUUGG-UHFFFAOYSA-N 0 0 226.275 3.798 10 30 BHEERN CCCCO/N=C(\C)[C@@H]1Cc2ccccc21 ZINC000038802259 368409716 /nfs/dbraw/zinc/40/97/16/368409716.db2.gz QPISRRRYGOHYGI-AYYGCFCKSA-N 0 0 217.312 3.519 10 30 BHEERN CCCCO/N=C(\C)[C@H]1Cc2ccccc21 ZINC000038802261 368409517 /nfs/dbraw/zinc/40/95/17/368409517.db2.gz QPISRRRYGOHYGI-XDPMZMSMSA-N 0 0 217.312 3.519 10 30 BHEERN N#CCCCCC(=O)CC/C=C/c1cccnc1 ZINC000038813748 368409479 /nfs/dbraw/zinc/40/94/79/368409479.db2.gz XRDRYXAWCBASQE-XVNBXDOJSA-N 0 0 242.322 3.528 10 30 BHEERN Cc1ccc2c(c1)c(=O)c1ccccc1cc2C#N ZINC000038813867 368402758 /nfs/dbraw/zinc/40/27/58/368402758.db2.gz PPTYPGHYPAQSEP-UHFFFAOYSA-N 0 0 245.281 3.533 10 30 BHEERN C/C(=N\OCc1ccccc1)c1ccccc1 ZINC000038822464 343379299 /nfs/dbraw/zinc/37/92/99/343379299.db2.gz MIDMIXGYBIKXMO-DTQAZKPQSA-N 0 0 225.291 3.627 10 30 BHEERN C=CCC1(CC=C)Cc2cc(OC)ccc2C1=O ZINC000038841510 368409677 /nfs/dbraw/zinc/40/96/77/368409677.db2.gz WTBDYIQGICLTOU-UHFFFAOYSA-N 0 0 242.318 3.573 10 30 BHEERN Cc1ccc2c(c1)/C(=N/O)CC[C@@H]2C(C)C ZINC000038867489 368409608 /nfs/dbraw/zinc/40/96/08/368409608.db2.gz KFAJVQITUSLWIU-BFWGRDPESA-N 0 0 217.312 3.707 10 30 BHEERN Cc1ccc2c(c1)/C(=N/O)CC[C@H]2C(C)C ZINC000038867490 368409637 /nfs/dbraw/zinc/40/96/37/368409637.db2.gz KFAJVQITUSLWIU-AKCBPTIMSA-N 0 0 217.312 3.707 10 30 BHEERN Cc1cc2c(cc1C)[C@@H](C#N)c1ccccc1CO2 ZINC000038869537 368409624 /nfs/dbraw/zinc/40/96/24/368409624.db2.gz RYIVLGMZEOEEJG-INIZCTEOSA-N 0 0 249.313 3.851 10 30 BHEERN Cc1cc2c(cc1C)[C@H](C#N)c1ccccc1CO2 ZINC000038869538 368409802 /nfs/dbraw/zinc/40/98/02/368409802.db2.gz RYIVLGMZEOEEJG-MRXNPFEDSA-N 0 0 249.313 3.851 10 30 BHEERN N#Cc1cccc2ccc3ccccc3c12 ZINC000038888302 372803731 /nfs/dbraw/zinc/80/37/31/372803731.db2.gz YHYZBEAWTMHNAI-UHFFFAOYSA-N 0 0 203.244 3.865 10 30 BHEERN CCCCCC#Cc1cc(OC)cc(OC)c1 ZINC000038953525 350114419 /nfs/dbraw/zinc/11/44/19/350114419.db2.gz KBYISYJEOZSSHI-UHFFFAOYSA-N 0 0 232.323 3.636 10 30 BHEERN Oc1ccccc1/N=C/c1c[nH]c2ccccc12 ZINC000038976989 183300758 /nfs/dbraw/zinc/30/07/58/183300758.db2.gz ILOLDUBZKMFYIZ-LICLKQGHSA-N 0 0 236.274 3.624 10 30 BHEERN C=CCCc1cc(OC)ccc1Br ZINC000038977212 344189048 /nfs/dbraw/zinc/18/90/48/344189048.db2.gz KUYBTWGHRYPRJL-UHFFFAOYSA-N 0 0 241.128 3.576 10 30 BHEERN CCCCC#Cc1cnc2cc(Cl)ccc2n1 ZINC000038977443 188215479 /nfs/dbraw/zinc/21/54/79/188215479.db2.gz XRFXUQLBBDDJGT-UHFFFAOYSA-N 0 0 244.725 3.825 10 30 BHEERN SCCOc1ccc(Oc2ccccc2)cc1 ZINC000038978160 188117607 /nfs/dbraw/zinc/11/76/07/188117607.db2.gz FCFPQSUSBJMVPC-UHFFFAOYSA-N 0 0 246.331 3.788 10 30 BHEERN C=C(C)[C@@H]1CC[C@]2(C)CC[C@H](O)C(=C)[C@H]2C1 ZINC000038997605 574414426 /nfs/dbraw/zinc/41/44/26/574414426.db2.gz CZFHAODYOVXPIQ-APIJFGDWSA-N 0 0 220.356 3.696 10 30 endogenous,in-man BHEERN N#Cc1ccc(-c2ccc3ccccc3c2)nc1 ZINC000038998065 181094934 /nfs/dbraw/zinc/09/49/34/181094934.db2.gz KTHASISRMPQIQS-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 BHEERN N#C[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1 ZINC000039039842 368408898 /nfs/dbraw/zinc/40/88/98/368408898.db2.gz DFHVDCLXTYMZJS-AXVKAWJUSA-N 0 0 211.308 3.730 10 30 BHEERN CCC#Cc1cc([N+](=O)[O-])ccc1NC(C)(C)C ZINC000039042789 368409557 /nfs/dbraw/zinc/40/95/57/368409557.db2.gz NUYSMRSODVIDLN-UHFFFAOYSA-N 0 0 246.310 3.567 10 30 BHEERN O=C(C(F)=C1CCCC1)c1ccccc1 ZINC000039055347 384100186 /nfs/dbraw/zinc/10/01/86/384100186.db2.gz JNABDNAFYAYAGX-UHFFFAOYSA-N 0 0 204.244 3.667 10 30 BHEERN C=C(C)[C@](C)(Cl)C(=O)C1CCCCC1 ZINC000039055633 187318392 /nfs/dbraw/zinc/31/83/92/187318392.db2.gz HLZHNHKSGNUKKF-LBPRGKRZSA-N 0 0 214.736 3.709 10 30 BHEERN CC[C@@H](C)C(F)=C(F)C(=O)c1ccco1 ZINC000039055643 170675861 /nfs/dbraw/zinc/67/58/61/170675861.db2.gz AARACQVYEANZAI-KOUNZKNHSA-N 0 0 214.211 3.659 10 30 BHEERN CSc1ccccc1/N=C/c1ccncc1 ZINC000039076592 343381408 /nfs/dbraw/zinc/38/14/08/343381408.db2.gz BHKAYUFNQRIUBN-XNTDXEJSSA-N 0 0 228.320 3.554 10 30 BHEERN COc1ccc([C@H](C#N)Cc2ccccc2)cc1 ZINC000039076988 358214833 /nfs/dbraw/zinc/21/48/33/358214833.db2.gz PZMQRWDWFNKNGI-HNNXBMFYSA-N 0 0 237.302 3.545 10 30 BHEERN COc1ccc([C@@H](C#N)Cc2ccccc2)cc1 ZINC000039076989 398074834 /nfs/dbraw/zinc/07/48/34/398074834.db2.gz PZMQRWDWFNKNGI-OAHLLOKOSA-N 0 0 237.302 3.545 10 30 BHEERN C=C(Cc1ccc2ccccc2c1)C(=O)OCC ZINC000039077133 350174802 /nfs/dbraw/zinc/17/48/02/350174802.db2.gz LFSGMKZEIPZCSA-UHFFFAOYSA-N 0 0 240.302 3.502 10 30 BHEERN COc1ccc2c(cc(C#N)cc2-c2ccoc2)c1 ZINC000039078878 347177368 /nfs/dbraw/zinc/17/73/68/347177368.db2.gz DEXFJSNVDIAESQ-UHFFFAOYSA-N 0 0 249.269 3.980 10 30 BHEERN C=C(C)c1cc2ccc(OCC)cc2o1 ZINC000039099140 348815154 /nfs/dbraw/zinc/81/51/54/348815154.db2.gz SOSQDRKSEVWQFQ-UHFFFAOYSA-N 0 0 202.253 3.865 10 30 BHEERN C=C1C[C@@](OCC)(c2ccccc2)C[C@@H]1C ZINC000039100208 350934310 /nfs/dbraw/zinc/93/43/10/350934310.db2.gz ABYZKONOJXHLRX-ZFWWWQNUSA-N 0 0 216.324 3.905 10 30 BHEERN C=C1C[C@](OCC)(c2ccccc2)C[C@@H]1C ZINC000039100209 348814674 /nfs/dbraw/zinc/81/46/74/348814674.db2.gz ABYZKONOJXHLRX-DZGCQCFKSA-N 0 0 216.324 3.905 10 30 BHEERN C=C1C[C@@](OCC)(c2ccccc2)C[C@H]1C ZINC000039100210 188192060 /nfs/dbraw/zinc/19/20/60/188192060.db2.gz ABYZKONOJXHLRX-HIFRSBDPSA-N 0 0 216.324 3.905 10 30 BHEERN C=C1C[C@](OCC)(c2ccccc2)C[C@H]1C ZINC000039100212 187330330 /nfs/dbraw/zinc/33/03/30/187330330.db2.gz ABYZKONOJXHLRX-UKRRQHHQSA-N 0 0 216.324 3.905 10 30 BHEERN C=CC[C@@]1(C)OC(CC)=N[C@H]1CCCC ZINC000039101399 187592671 /nfs/dbraw/zinc/59/26/71/187592671.db2.gz KGTWWMFULNNNGS-WCQYABFASA-N 0 0 209.333 3.719 10 30 BHEERN C=CC[C@]1(C)OC(CC)=N[C@@H]1CCCC ZINC000039101400 188042605 /nfs/dbraw/zinc/04/26/05/188042605.db2.gz KGTWWMFULNNNGS-YPMHNXCESA-N 0 0 209.333 3.719 10 30 BHEERN CCc1cccc(/N=C\c2ccc(C)o2)c1 ZINC000039101716 384104320 /nfs/dbraw/zinc/10/43/20/384104320.db2.gz OBNHKHGLGKWYOE-GDNBJRDFSA-N 0 0 213.280 3.901 10 30 BHEERN CCc1ccc(/N=C\c2ccc(C)o2)cc1 ZINC000039101717 343383853 /nfs/dbraw/zinc/38/38/53/343383853.db2.gz BTNLWZHSERTZGQ-GDNBJRDFSA-N 0 0 213.280 3.901 10 30 BHEERN C=CCc1c2occ(CC)c2ccc1OC ZINC000039101891 188355054 /nfs/dbraw/zinc/35/50/54/188355054.db2.gz JIIIWYXHDIEWEB-UHFFFAOYSA-N 0 0 216.280 3.732 10 30 BHEERN CCOC/C(C)=N\c1c(C)cccc1CC ZINC000039102118 170316899 /nfs/dbraw/zinc/31/68/99/170316899.db2.gz PSYBRQXCXYUBIB-QINSGFPZSA-N 0 0 219.328 3.686 10 30 BHEERN CCc1cccc(CC)c1/N=C/c1ccc[nH]1 ZINC000039102664 384104284 /nfs/dbraw/zinc/10/42/84/384104284.db2.gz ZOHPIOKXVXITGO-GZTJUZNOSA-N 0 0 226.323 3.890 10 30 BHEERN CCC1=C[C@@](C)(CC)Nc2cc(C#N)ccc21 ZINC000039102673 168508177 /nfs/dbraw/zinc/50/81/77/168508177.db2.gz DCRPCGGYIWBUBB-OAHLLOKOSA-N 0 0 226.323 3.946 10 30 BHEERN CCC1=C[C@](C)(CC)Nc2cc(C#N)ccc21 ZINC000039102674 344847340 /nfs/dbraw/zinc/84/73/40/344847340.db2.gz DCRPCGGYIWBUBB-HNNXBMFYSA-N 0 0 226.323 3.946 10 30 BHEERN CCC1=C[C@@](C)(CC)Nc2cccc(C#N)c21 ZINC000039102675 344847639 /nfs/dbraw/zinc/84/76/39/344847639.db2.gz FHAWCYDQSUTDFL-OAHLLOKOSA-N 0 0 226.323 3.946 10 30 BHEERN CCC1=C[C@](C)(CC)Nc2cccc(C#N)c21 ZINC000039102676 168507870 /nfs/dbraw/zinc/50/78/70/168507870.db2.gz FHAWCYDQSUTDFL-HNNXBMFYSA-N 0 0 226.323 3.946 10 30 BHEERN C=CCCc1nc(-c2ccccc2)oc1C ZINC000039109423 166305022 /nfs/dbraw/zinc/30/50/22/166305022.db2.gz QIJKERHIUMVDDD-UHFFFAOYSA-N 0 0 213.280 3.769 10 30 BHEERN C=CCC(F)(F)Sc1ccccc1 ZINC000039115519 188573946 /nfs/dbraw/zinc/57/39/46/188573946.db2.gz KXYJWZSGHZVIIY-UHFFFAOYSA-N 0 0 200.253 3.948 10 30 BHEERN CC(C)[C@@H]1C=Cc2ccccc2[C@H]1CC=O ZINC000039118845 368409592 /nfs/dbraw/zinc/40/95/92/368409592.db2.gz HCXWRTCORSLRDV-ZFWWWQNUSA-N 0 0 214.308 3.658 10 30 BHEERN C=CC[C@H](O)c1c(Cl)cccc1Cl ZINC000039119085 358221100 /nfs/dbraw/zinc/22/11/00/358221100.db2.gz PPKAWAIFKQKZBN-VIFPVBQESA-N 0 0 217.095 3.603 10 30 BHEERN CC#Cc1cc([N+](=O)[O-])ccc1NC(CC)CC ZINC000039122060 368409878 /nfs/dbraw/zinc/40/98/78/368409878.db2.gz GXVVYLYJHBUPKD-UHFFFAOYSA-N 0 0 246.310 3.567 10 30 BHEERN N#Cc1ccncc1-c1cccc2ccccc21 ZINC000039140315 188291057 /nfs/dbraw/zinc/29/10/57/188291057.db2.gz JUZAZURXDNVQKX-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 BHEERN CCCC[C@@H](CC)C(=O)C#Cc1ccccc1 ZINC000039150447 345367215 /nfs/dbraw/zinc/36/72/15/345367215.db2.gz TUBUBEOEUCDVJU-OAHLLOKOSA-N 0 0 228.335 3.824 10 30 BHEERN CCCC[C@H](CC)C(=O)C#Cc1ccccc1 ZINC000039150448 345367592 /nfs/dbraw/zinc/36/75/92/345367592.db2.gz TUBUBEOEUCDVJU-HNNXBMFYSA-N 0 0 228.335 3.824 10 30 BHEERN CC(C)(C)c1cc(C#N)cc2c1OCC2(C)C ZINC000039170446 347182995 /nfs/dbraw/zinc/18/29/95/347182995.db2.gz YJWAZKXHVLKWKP-UHFFFAOYSA-N 0 0 229.323 3.526 10 30 BHEERN CC#Cc1cc([N+](=O)[O-])ccc1NC(C)(C)CC ZINC000039171350 350113119 /nfs/dbraw/zinc/11/31/19/350113119.db2.gz IKUKABKVISDICZ-UHFFFAOYSA-N 0 0 246.310 3.567 10 30 BHEERN N#CC1(c2cccc3ccccc32)CCC(=O)CC1 ZINC000039188438 350113070 /nfs/dbraw/zinc/11/30/70/350113070.db2.gz GHTDLKIFTFFIOE-UHFFFAOYSA-N 0 0 249.313 3.744 10 30 BHEERN N#C[C@@H]1CCCc2ccc(-c3ccccc3)nc21 ZINC000039200179 181060852 /nfs/dbraw/zinc/06/08/52/181060852.db2.gz BEAGPPIXIZRVES-AWEZNQCLSA-N 0 0 234.302 3.692 10 30 BHEERN N#C[C@H]1CCCc2ccc(-c3ccccc3)nc21 ZINC000039200180 181070042 /nfs/dbraw/zinc/07/00/42/181070042.db2.gz BEAGPPIXIZRVES-CQSZACIVSA-N 0 0 234.302 3.692 10 30 BHEERN C=CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000039203574 343121401 /nfs/dbraw/zinc/12/14/01/343121401.db2.gz DIESMVFZMDBMBC-UHFFFAOYSA-N 0 0 208.260 3.722 10 30 BHEERN N#C[C@H](CCc1ccccc1)c1ccccc1 ZINC000039224040 181064070 /nfs/dbraw/zinc/06/40/70/181064070.db2.gz YNOFIMCHDGSWSS-INIZCTEOSA-N 0 0 221.303 3.927 10 30 BHEERN N#C[C@@H](CCc1ccccc1)c1ccccc1 ZINC000039224042 181054414 /nfs/dbraw/zinc/05/44/14/181054414.db2.gz YNOFIMCHDGSWSS-MRXNPFEDSA-N 0 0 221.303 3.927 10 30 BHEERN SCC(c1ccccc1)c1ccccc1 ZINC000039244545 358224141 /nfs/dbraw/zinc/22/41/41/358224141.db2.gz PVKVAZMIYYZBDG-UHFFFAOYSA-N 0 0 214.333 3.748 10 30 BHEERN N#CCc1ccccc1Oc1ccc(F)cc1 ZINC000039254662 350114175 /nfs/dbraw/zinc/11/41/75/350114175.db2.gz ULYYXFJEPADHQV-UHFFFAOYSA-N 0 0 227.238 3.684 10 30 BHEERN N#Cc1ccccc1/C=C/c1ccc(C=O)cc1 ZINC000039257114 181144380 /nfs/dbraw/zinc/14/43/80/181144380.db2.gz ATGJPRPJEYODEV-MDZDMXLPSA-N 0 0 233.270 3.541 10 30 BHEERN C#Cc1ccc(Oc2ccccc2)cc1C ZINC000039286377 352586138 /nfs/dbraw/zinc/58/61/38/352586138.db2.gz FMUFVKHNMKGBKS-UHFFFAOYSA-N 0 0 208.260 3.769 10 30 BHEERN C=C(C)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000039363486 360047267 /nfs/dbraw/zinc/04/72/67/360047267.db2.gz VYPRXWXGLLURNB-JHJVBQTASA-N 0 0 224.344 3.567 10 30 BHEERN C=C(C)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000039363487 360047389 /nfs/dbraw/zinc/04/73/89/360047389.db2.gz VYPRXWXGLLURNB-YNEHKIRRSA-N 0 0 224.344 3.567 10 30 BHEERN C=C(C)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000039363488 360047551 /nfs/dbraw/zinc/04/75/51/360047551.db2.gz VYPRXWXGLLURNB-RWMBFGLXSA-N 0 0 224.344 3.567 10 30 BHEERN C#Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000039366226 187527909 /nfs/dbraw/zinc/52/79/09/187527909.db2.gz CLAMSHVRPLFYIM-UHFFFAOYSA-N 0 0 230.351 3.969 10 30 BHEERN N#CCc1ccc(-c2ccccc2)c(F)c1 ZINC000039373630 358225537 /nfs/dbraw/zinc/22/55/37/358225537.db2.gz FSUMNZMCADOFGQ-UHFFFAOYSA-N 0 0 211.239 3.559 10 30 BHEERN C=CC[C@]1(c2ccccc2)CCCCC1=O ZINC000039374480 360314730 /nfs/dbraw/zinc/31/47/30/360314730.db2.gz UFQMSQXHZHRFHU-OAHLLOKOSA-N 0 0 214.308 3.644 10 30 BHEERN C=CC[C@@]1(c2ccccc2)CCCCC1=O ZINC000039374481 360315912 /nfs/dbraw/zinc/31/59/12/360315912.db2.gz UFQMSQXHZHRFHU-HNNXBMFYSA-N 0 0 214.308 3.644 10 30 BHEERN CC(C)c1ccc(C(CC#N)CC#N)cc1 ZINC000039375608 358225799 /nfs/dbraw/zinc/22/57/99/358225799.db2.gz ULPSARRIMTWMGL-UHFFFAOYSA-N 0 0 212.296 3.721 10 30 BHEERN C#CCC1(c2ccccc2)SCCCS1 ZINC000039386356 368409736 /nfs/dbraw/zinc/40/97/36/368409736.db2.gz DFWWFUQTCYKCTD-UHFFFAOYSA-N 0 0 234.389 3.733 10 30 BHEERN CC#CSc1ccc(Br)cc1 ZINC000039390132 352587064 /nfs/dbraw/zinc/58/70/64/352587064.db2.gz UQXIEXDJQFVQKZ-UHFFFAOYSA-N 0 0 227.126 3.522 10 30 BHEERN N#CCSc1nc2cc(Cl)ccc2s1 ZINC000039595048 187269540 /nfs/dbraw/zinc/26/95/40/187269540.db2.gz FYTIWSAUAVLMQI-UHFFFAOYSA-N 0 0 240.740 3.565 10 30 BHEERN O=CCCSc1ccc2ccccc2c1 ZINC000039647797 361066965 /nfs/dbraw/zinc/06/69/65/361066965.db2.gz QOPISSWQXXHKJN-UHFFFAOYSA-N 0 0 216.305 3.521 10 30 BHEERN Cc1ccc(-c2ccc(C#N)cc2)c(C)c1 ZINC000040174807 178323033 /nfs/dbraw/zinc/32/30/33/178323033.db2.gz LNHNAFCUGMWRDW-UHFFFAOYSA-N 0 0 207.276 3.842 10 30 BHEERN Cc1ccc(-c2cccc(C#N)c2)c(C)c1 ZINC000040174809 178326462 /nfs/dbraw/zinc/32/64/62/178326462.db2.gz KVNHWPAOIRMEBL-UHFFFAOYSA-N 0 0 207.276 3.842 10 30 BHEERN Cc1ccc(-c2ccccc2C#N)c(C)c1 ZINC000040174811 178326352 /nfs/dbraw/zinc/32/63/52/178326352.db2.gz IFKXXOBYZJLYCO-UHFFFAOYSA-N 0 0 207.276 3.842 10 30 BHEERN CCc1cccc2c(SCC#N)cc(C)nc12 ZINC000040175060 171867369 /nfs/dbraw/zinc/86/73/69/171867369.db2.gz UCCFKGDOIAWOOP-UHFFFAOYSA-N 0 0 242.347 3.721 10 30 BHEERN CCc1ccc2nc(C)cc(SCC#N)c2c1 ZINC000040175062 171850434 /nfs/dbraw/zinc/85/04/34/171850434.db2.gz FUTCGYQHPAPMFI-UHFFFAOYSA-N 0 0 242.347 3.721 10 30 BHEERN Cc1cc(SCC#N)c2ccc(C)c(C)c2n1 ZINC000040175068 178218621 /nfs/dbraw/zinc/21/86/21/178218621.db2.gz PXNSJRXSKCJHEP-UHFFFAOYSA-N 0 0 242.347 3.776 10 30 BHEERN Cc1cc(C)c2nc(C)cc(SCC#N)c2c1 ZINC000040175070 177886613 /nfs/dbraw/zinc/88/66/13/177886613.db2.gz DEBUHTZPULVPBO-UHFFFAOYSA-N 0 0 242.347 3.776 10 30 BHEERN Cc1cc(SCC#N)c2c(C)ccc(C)c2n1 ZINC000040175072 178218299 /nfs/dbraw/zinc/21/82/99/178218299.db2.gz WEXNHOLFSNGINI-UHFFFAOYSA-N 0 0 242.347 3.776 10 30 BHEERN Cc1cc(SCC#N)c2cccc(Cl)c2n1 ZINC000040175078 178218023 /nfs/dbraw/zinc/21/80/23/178218023.db2.gz XKNAIIWKWMFYQC-UHFFFAOYSA-N 0 0 248.738 3.812 10 30 BHEERN Cc1cc(SCC#N)c2cc(Cl)ccc2n1 ZINC000040175080 178217824 /nfs/dbraw/zinc/21/78/24/178217824.db2.gz PMKGAVBUKVKPTQ-UHFFFAOYSA-N 0 0 248.738 3.812 10 30 BHEERN CCc1cccc2c(C)cc(SCC#N)nc12 ZINC000040175172 385886257 /nfs/dbraw/zinc/88/62/57/385886257.db2.gz ULJCIDKCHIXNSY-UHFFFAOYSA-N 0 0 242.347 3.721 10 30 BHEERN CCc1ccc2nc(SCC#N)cc(C)c2c1 ZINC000040175174 171851698 /nfs/dbraw/zinc/85/16/98/171851698.db2.gz WKHCCFWKVARXFD-UHFFFAOYSA-N 0 0 242.347 3.721 10 30 BHEERN Cc1ccc(C)c2c(C)cc(SCC#N)nc12 ZINC000040175180 352007179 /nfs/dbraw/zinc/00/71/79/352007179.db2.gz RAHCCLIWZPCXFK-UHFFFAOYSA-N 0 0 242.347 3.776 10 30 BHEERN Cc1cc(SCC#N)nc2c(Cl)cccc12 ZINC000040175186 178218467 /nfs/dbraw/zinc/21/84/67/178218467.db2.gz WIVQLAFDQSGBAB-UHFFFAOYSA-N 0 0 248.738 3.812 10 30 BHEERN Cc1cc(SCC#N)nc2ccc(Cl)cc12 ZINC000040175188 178217924 /nfs/dbraw/zinc/21/79/24/178217924.db2.gz HRINFMNHYBKNQJ-UHFFFAOYSA-N 0 0 248.738 3.812 10 30 BHEERN CC(C)c1cccc2c(SCC#N)ccnc21 ZINC000040175291 167635711 /nfs/dbraw/zinc/63/57/11/167635711.db2.gz QMBVGSAGUBWODD-UHFFFAOYSA-N 0 0 242.347 3.974 10 30 BHEERN CC(C)c1ccc2nccc(SCC#N)c2c1 ZINC000040175292 352152933 /nfs/dbraw/zinc/15/29/33/352152933.db2.gz MFBBXIKXBXEZLY-UHFFFAOYSA-N 0 0 242.347 3.974 10 30 BHEERN N#CCSc1ccnc2c(Cl)cccc12 ZINC000040175298 188338852 /nfs/dbraw/zinc/33/88/52/188338852.db2.gz YEUMIWBWXQPCGT-UHFFFAOYSA-N 0 0 234.711 3.504 10 30 BHEERN N#CCSc1ccnc2cc(Cl)ccc21 ZINC000040175299 187304585 /nfs/dbraw/zinc/30/45/85/187304585.db2.gz LASQDOCTOHXRNM-UHFFFAOYSA-N 0 0 234.711 3.504 10 30 BHEERN N#CCSc1ccnc2ccc(Cl)cc21 ZINC000040175300 386208873 /nfs/dbraw/zinc/20/88/73/386208873.db2.gz KJKGVUPPAWINSP-UHFFFAOYSA-N 0 0 234.711 3.504 10 30 BHEERN N#Cc1sc2cccc(F)c2c1Cl ZINC000040175345 181178490 /nfs/dbraw/zinc/17/84/90/181178490.db2.gz ZHBUUSZWHRAWIY-UHFFFAOYSA-N 0 0 211.648 3.565 10 30 BHEERN N#Cc1sc2cc(F)ccc2c1Cl ZINC000040175347 181178721 /nfs/dbraw/zinc/17/87/21/181178721.db2.gz JEOSNFRIXKETPO-UHFFFAOYSA-N 0 0 211.648 3.565 10 30 BHEERN N#Cc1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000040175364 181080608 /nfs/dbraw/zinc/08/06/08/181080608.db2.gz YVYRHKDHUHTLIE-UHFFFAOYSA-N 0 0 239.061 3.520 10 30 BHEERN N#Cc1ccc(OC2CCCCCC2)cc1 ZINC000040228005 373120465 /nfs/dbraw/zinc/12/04/65/373120465.db2.gz OLSTVNURVBJQRQ-UHFFFAOYSA-N 0 0 215.296 3.660 10 30 BHEERN C#CCn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040239723 187353486 /nfs/dbraw/zinc/35/34/86/187353486.db2.gz FWAXMLSAQUDKSR-UHFFFAOYSA-N 0 0 246.313 3.645 10 30 BHEERN C=C(C)C(=O)O[C@@]12CCC[C@@H](C[C@@H](CC)C1)C2 ZINC000040442539 188042675 /nfs/dbraw/zinc/04/26/75/188042675.db2.gz AJUUZLSZQUZKNQ-IPYPFGDCSA-N 0 0 236.355 3.855 10 30 BHEERN C=C(C)C(=O)O[C@@]12CCC[C@@H](C[C@H](CC)C1)C2 ZINC000040442540 187354899 /nfs/dbraw/zinc/35/48/99/187354899.db2.gz AJUUZLSZQUZKNQ-YDHLFZDLSA-N 0 0 236.355 3.855 10 30 BHEERN CC(C)(C)c1ccc(-c2cnc(CC#N)o2)cc1 ZINC000040543133 187393153 /nfs/dbraw/zinc/39/31/53/187393153.db2.gz PHQHQRUMKWRCTF-UHFFFAOYSA-N 0 0 240.306 3.705 10 30 BHEERN CC(C)c1ccc(-c2cnc(CC#N)o2)cc1 ZINC000040543135 167581058 /nfs/dbraw/zinc/58/10/58/167581058.db2.gz PROOCAYQQAGNPN-UHFFFAOYSA-N 0 0 226.279 3.531 10 30 BHEERN N#Cc1c[nH]c2c1cccc2OCc1ccccc1 ZINC000040565225 187601136 /nfs/dbraw/zinc/60/11/36/187601136.db2.gz WAOJSSDVYZDEFM-UHFFFAOYSA-N 0 0 248.285 3.619 10 30 BHEERN C(#Cc1cccs1)Cn1ccc2ccccc21 ZINC000040576717 166226315 /nfs/dbraw/zinc/22/63/15/166226315.db2.gz QIPWAVZZRPUREW-UHFFFAOYSA-N 0 0 237.327 3.755 10 30 BHEERN N#C[C@H]1CCCCC[C@H]1Sc1nccs1 ZINC000040676838 181067329 /nfs/dbraw/zinc/06/73/29/181067329.db2.gz VFDAHBUMWNNTAW-NXEZZACHSA-N 0 0 238.381 3.708 10 30 BHEERN N#C[C@H]1CCCCC[C@@H]1Sc1nccs1 ZINC000040676840 181067655 /nfs/dbraw/zinc/06/76/55/181067655.db2.gz VFDAHBUMWNNTAW-ZJUUUORDSA-N 0 0 238.381 3.708 10 30 BHEERN N#C[C@@H]1CCCCC[C@H]1Sc1nccs1 ZINC000040676842 181059107 /nfs/dbraw/zinc/05/91/07/181059107.db2.gz VFDAHBUMWNNTAW-VHSXEESVSA-N 0 0 238.381 3.708 10 30 BHEERN N#C[C@@H]1CCCCC[C@@H]1Sc1nccs1 ZINC000040676844 181058451 /nfs/dbraw/zinc/05/84/51/181058451.db2.gz VFDAHBUMWNNTAW-UWVGGRQHSA-N 0 0 238.381 3.708 10 30 BHEERN C=C[C@H]1CC(=O)c2cc(Cl)ccc2S1 ZINC000040860470 187354816 /nfs/dbraw/zinc/35/48/16/187354816.db2.gz UEXGNNKKBHYRAV-QMMMGPOBSA-N 0 0 224.712 3.573 10 30 BHEERN C=C(C)[C@H]1CC2=C(CC[C@@H]2C)[C@@H](C)C[C@H]1O ZINC000040934478 188043392 /nfs/dbraw/zinc/04/33/92/188043392.db2.gz BRFKQPRYMGBIFJ-HTTKSJEASA-N 0 0 220.356 3.696 10 30 BHEERN C[C@H]1CCCC2=CC(=O)[C@H]3[C@H](C3(C)C)[C@@]21C ZINC000040973420 177069403 /nfs/dbraw/zinc/06/94/03/177069403.db2.gz UGVIZCBJCSXBCJ-GCVYGYKWSA-N 0 0 218.340 3.594 10 30 biogenic,in-vitro BHEERN N#Cc1cc(N)ccc1-c1ccc(Cl)s1 ZINC000041049000 181089253 /nfs/dbraw/zinc/08/92/53/181089253.db2.gz QCSSBTWBOOAVSB-UHFFFAOYSA-N 0 0 234.711 3.522 10 30 BHEERN N#Cc1ccccc1Nc1ccnc2ccccc21 ZINC000041055548 181149001 /nfs/dbraw/zinc/14/90/01/181149001.db2.gz SYUSLCQDOUKJNO-UHFFFAOYSA-N 0 0 245.285 3.850 10 30 BHEERN CCCCc1ccc([C@H](C=O)CC)cc1 ZINC000041213018 169023793 /nfs/dbraw/zinc/02/37/93/169023793.db2.gz ONHTZPZJNJRAEA-ZDUSSCGKSA-N 0 0 204.313 3.722 10 30 BHEERN CCCCc1ccc([C@@H](C=O)CC)cc1 ZINC000041213019 169022385 /nfs/dbraw/zinc/02/23/85/169022385.db2.gz ONHTZPZJNJRAEA-CYBMUJFWSA-N 0 0 204.313 3.722 10 30 BHEERN CC(C)C[C@@H](C#N)c1ccccc1Cl ZINC000041217012 187264554 /nfs/dbraw/zinc/26/45/54/187264554.db2.gz PSDLUZDLMBXIRB-JTQLQIEISA-N 0 0 207.704 3.993 10 30 BHEERN CC(C)C[C@@H](C#N)c1cccc(Cl)c1 ZINC000041217016 188119099 /nfs/dbraw/zinc/11/90/99/188119099.db2.gz ANLAIRDSTYBPIO-NSHDSACASA-N 0 0 207.704 3.993 10 30 BHEERN CC(C)C[C@H](C#N)c1ccc(Cl)cc1 ZINC000041217021 187946273 /nfs/dbraw/zinc/94/62/73/187946273.db2.gz GVOOXZOJYBJMQA-LLVKDONJSA-N 0 0 207.704 3.993 10 30 BHEERN CC(C)[C@@H](C#N)c1c(F)cccc1Cl ZINC000041225868 167340581 /nfs/dbraw/zinc/34/05/81/167340581.db2.gz AOISCAZHQLRTLA-MRVPVSSYSA-N 0 0 211.667 3.742 10 30 BHEERN Cc1ccc(-c2ccc(C#N)s2)c(C)c1 ZINC000041227052 631227108 /nfs/dbraw/zinc/22/71/08/631227108.db2.gz CHMWUGLQTLALGU-UHFFFAOYSA-N 0 0 213.305 3.904 10 30 BHEERN CCCCc1ccc([C@@H](C=O)C2CC2)cc1 ZINC000041229153 169022448 /nfs/dbraw/zinc/02/24/48/169022448.db2.gz MRHMWDXRMPDCGT-OAHLLOKOSA-N 0 0 216.324 3.722 10 30 BHEERN CCCCc1ccc([C@H](C=O)C2CC2)cc1 ZINC000041229155 169023045 /nfs/dbraw/zinc/02/30/45/169023045.db2.gz MRHMWDXRMPDCGT-HNNXBMFYSA-N 0 0 216.324 3.722 10 30 BHEERN CCCCc1ccc([C@@H](C=O)C(C)C)cc1 ZINC000041231797 169021628 /nfs/dbraw/zinc/02/16/28/169021628.db2.gz KWZULNJKBSUXDG-HNNXBMFYSA-N 0 0 218.340 3.968 10 30 BHEERN CCCCc1ccc([C@H](C=O)C(C)C)cc1 ZINC000041231799 169023647 /nfs/dbraw/zinc/02/36/47/169023647.db2.gz KWZULNJKBSUXDG-OAHLLOKOSA-N 0 0 218.340 3.968 10 30 BHEERN COc1ccc(Cl)cc1[C@H](C#N)C(C)C ZINC000041243595 175122757 /nfs/dbraw/zinc/12/27/57/175122757.db2.gz CCYVZSHOLNPJMT-LLVKDONJSA-N 0 0 223.703 3.612 10 30 BHEERN COc1ccc(Cl)cc1[C@@H](C#N)C(C)C ZINC000041243598 175122302 /nfs/dbraw/zinc/12/23/02/175122302.db2.gz CCYVZSHOLNPJMT-NSHDSACASA-N 0 0 223.703 3.612 10 30 BHEERN CC(C)c1cccc(OCCCCS)c1 ZINC000041244848 167634174 /nfs/dbraw/zinc/63/41/74/167634174.db2.gz QIHXDGRREOHBFT-UHFFFAOYSA-N 0 0 224.369 3.899 10 30 BHEERN COc1ccccc1[C@@H](C#N)C1CCCCC1 ZINC000041251451 175343583 /nfs/dbraw/zinc/34/35/83/175343583.db2.gz IXMOCPGODMUTBG-AWEZNQCLSA-N 0 0 229.323 3.883 10 30 BHEERN COc1ccccc1[C@H](C#N)C1CCCCC1 ZINC000041251454 175350321 /nfs/dbraw/zinc/35/03/21/175350321.db2.gz IXMOCPGODMUTBG-CQSZACIVSA-N 0 0 229.323 3.883 10 30 BHEERN COc1cccc([C@@H](C#N)C2CCCCC2)c1 ZINC000041251457 175286034 /nfs/dbraw/zinc/28/60/34/175286034.db2.gz PZLJKUNDIIQTJS-HNNXBMFYSA-N 0 0 229.323 3.883 10 30 BHEERN COc1cccc([C@H](C#N)C2CCCCC2)c1 ZINC000041251460 175291845 /nfs/dbraw/zinc/29/18/45/175291845.db2.gz PZLJKUNDIIQTJS-OAHLLOKOSA-N 0 0 229.323 3.883 10 30 BHEERN COc1ccc([C@@H](C#N)C2CCCCC2)cc1 ZINC000041251463 187429411 /nfs/dbraw/zinc/42/94/11/187429411.db2.gz WIOAEVIRGJAQGC-HNNXBMFYSA-N 0 0 229.323 3.883 10 30 BHEERN CCOc1ccc([C@@H](C#N)C2CCCC2)cc1 ZINC000041251471 170557676 /nfs/dbraw/zinc/55/76/76/170557676.db2.gz XIMYWSGFMCKCPM-HNNXBMFYSA-N 0 0 229.323 3.883 10 30 BHEERN COc1ccc(C)cc1[C@@H](C#N)C1CCCC1 ZINC000041251485 175079271 /nfs/dbraw/zinc/07/92/71/175079271.db2.gz AEJKNLTUZHNTFU-AWEZNQCLSA-N 0 0 229.323 3.801 10 30 BHEERN COc1ccc(C)cc1[C@H](C#N)C1CCCC1 ZINC000041251488 175081392 /nfs/dbraw/zinc/08/13/92/175081392.db2.gz AEJKNLTUZHNTFU-CQSZACIVSA-N 0 0 229.323 3.801 10 30 BHEERN CC[C@H](C#N)c1ccc(Br)s1 ZINC000041252145 171220896 /nfs/dbraw/zinc/22/08/96/171220896.db2.gz QXWPSRVJXZTSIM-ZCFIWIBFSA-N 0 0 230.130 3.528 10 30 BHEERN SCCCCOc1ccc2c(c1)CCCC2 ZINC000041271967 187602865 /nfs/dbraw/zinc/60/28/65/187602865.db2.gz PENFBDRESXMKEV-UHFFFAOYSA-N 0 0 236.380 3.654 10 30 BHEERN CC(C)[C@@H](C#N)c1cccc(Br)c1 ZINC000041279687 167340025 /nfs/dbraw/zinc/34/00/25/167340025.db2.gz JMWFFAWFXCJRPJ-LLVKDONJSA-N 0 0 238.128 3.712 10 30 BHEERN CC(C)[C@H](C#N)c1cccc(Br)c1 ZINC000041279689 187602802 /nfs/dbraw/zinc/60/28/02/187602802.db2.gz JMWFFAWFXCJRPJ-NSHDSACASA-N 0 0 238.128 3.712 10 30 BHEERN CCC[C@@H](C#N)c1ccc(Br)cc1 ZINC000041279691 169342906 /nfs/dbraw/zinc/34/29/06/169342906.db2.gz ATZRBJUXGIITNO-JTQLQIEISA-N 0 0 238.128 3.856 10 30 BHEERN CC(C)[C@@H](C#N)c1ccc(Br)s1 ZINC000041289916 167340363 /nfs/dbraw/zinc/34/03/63/167340363.db2.gz IBRDMPIADFYFQX-SSDOTTSWSA-N 0 0 244.157 3.774 10 30 BHEERN CCC[C@@H](C#N)c1ccc(Br)s1 ZINC000041289921 169342635 /nfs/dbraw/zinc/34/26/35/169342635.db2.gz ITYXOFOJCQGHDO-ZETCQYMHSA-N 0 0 244.157 3.918 10 30 BHEERN CCC[C@H](C#N)c1ccc(Br)s1 ZINC000041289924 169464918 /nfs/dbraw/zinc/46/49/18/169464918.db2.gz ITYXOFOJCQGHDO-SSDOTTSWSA-N 0 0 244.157 3.918 10 30 BHEERN C=CCNc1c(Cl)cccc1Cl ZINC000041571458 386674645 /nfs/dbraw/zinc/67/46/45/386674645.db2.gz VTSSHZPGWJUBKJ-UHFFFAOYSA-N 0 0 202.084 3.591 10 30 BHEERN C=C(C)CNc1c(Cl)cccc1Cl ZINC000041571492 187354825 /nfs/dbraw/zinc/35/48/25/187354825.db2.gz FRRPRMUQUWBVDZ-UHFFFAOYSA-N 0 0 216.111 3.981 10 30 BHEERN C=C(C)CNc1ccc(C)c(Br)c1 ZINC000041579216 374147755 /nfs/dbraw/zinc/14/77/55/374147755.db2.gz YCPMOEBZPSEHBZ-UHFFFAOYSA-N 0 0 240.144 3.746 10 30 BHEERN N#C[C@@H](Nc1ccc(F)cc1)c1cccs1 ZINC000041671787 358333801 /nfs/dbraw/zinc/33/38/01/358333801.db2.gz BTTNPZQKOHOPQM-LLVKDONJSA-N 0 0 232.283 3.564 10 30 BHEERN N#C[C@H](Nc1ccc(F)cc1)c1cccs1 ZINC000041671790 358333890 /nfs/dbraw/zinc/33/38/90/358333890.db2.gz BTTNPZQKOHOPQM-NSHDSACASA-N 0 0 232.283 3.564 10 30 BHEERN Cc1cc(Cl)ccc1OCCCCC#N ZINC000042214181 178068686 /nfs/dbraw/zinc/06/86/86/178068686.db2.gz WWEPAKBKZMPSJO-UHFFFAOYSA-N 0 0 223.703 3.721 10 30 BHEERN CC(C)c1ccccc1OCCCCC#N ZINC000042220352 167642944 /nfs/dbraw/zinc/64/29/44/167642944.db2.gz ZEGRJWFJZMQTDA-UHFFFAOYSA-N 0 0 217.312 3.883 10 30 BHEERN N#Cc1ccccc1NCCC1=CCCCC1 ZINC000042221043 181147734 /nfs/dbraw/zinc/14/77/34/181147734.db2.gz PKANPQIBBMEMEG-UHFFFAOYSA-N 0 0 226.323 3.861 10 30 BHEERN C=C(Cl)CNc1ccc(Cl)cc1F ZINC000042221193 361973178 /nfs/dbraw/zinc/97/31/78/361973178.db2.gz FZZSIEZOYWKZBX-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN N#Cc1ccc(OCc2cccs2)c(Cl)c1 ZINC000042238733 181128993 /nfs/dbraw/zinc/12/89/93/181128993.db2.gz ZKHFBTPTIRBCJA-UHFFFAOYSA-N 0 0 249.722 3.852 10 30 BHEERN C=CC[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000042394733 358347648 /nfs/dbraw/zinc/34/76/48/358347648.db2.gz MFSVINZOKPVVIQ-INIZCTEOSA-N 0 0 238.330 3.756 10 30 BHEERN N#Cc1ccc(OC2CCCCC2)c(Cl)c1 ZINC000042410919 188293611 /nfs/dbraw/zinc/29/36/11/188293611.db2.gz VLPLFYRQKGTTJW-UHFFFAOYSA-N 0 0 235.714 3.923 10 30 BHEERN CCCCC[C@H](C)Nc1ccc(N)cc1C#N ZINC000042561696 168743682 /nfs/dbraw/zinc/74/36/82/168743682.db2.gz BJCCBDKQUBVZIW-NSHDSACASA-N 0 0 231.343 3.521 10 30 BHEERN CC[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1N ZINC000042577668 170967951 /nfs/dbraw/zinc/96/79/51/170967951.db2.gz MKWMLCGMGVOFGW-OCCSQVGLSA-N 0 0 243.354 3.521 10 30 BHEERN CC[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1N ZINC000042577671 171610245 /nfs/dbraw/zinc/61/02/45/171610245.db2.gz MKWMLCGMGVOFGW-JSGCOSHPSA-N 0 0 243.354 3.521 10 30 BHEERN CC[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1N ZINC000042577677 171612721 /nfs/dbraw/zinc/61/27/21/171612721.db2.gz MKWMLCGMGVOFGW-GXTWGEPZSA-N 0 0 243.354 3.521 10 30 BHEERN CC[C@H]1CCCC[C@@H]1Nc1ccc(N)cc1C#N ZINC000042577854 171610453 /nfs/dbraw/zinc/61/04/53/171610453.db2.gz SSOAEKHIZQGRIQ-FZMZJTMJSA-N 0 0 243.354 3.521 10 30 BHEERN C=C(Cl)CNc1ccc(Cl)c(F)c1 ZINC000042580012 362010648 /nfs/dbraw/zinc/01/06/48/362010648.db2.gz OUFAGYWKVYVDIC-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN CC[C@H]1CCCC[C@H]1n1c(C)c(C)c(C#N)c1N ZINC000042581967 171613036 /nfs/dbraw/zinc/61/30/36/171613036.db2.gz YTLXCOLOOQEZFZ-GXTWGEPZSA-N 0 0 245.370 3.700 10 30 BHEERN CC(C)CCC[C@@H](C)Nc1ccc(N)cc1C#N ZINC000042587440 166823736 /nfs/dbraw/zinc/82/37/36/166823736.db2.gz SSKDSYMJXUIYHH-GFCCVEGCSA-N 0 0 245.370 3.767 10 30 BHEERN CC[C@H](Nc1ccc(C#N)cc1F)C(C)C ZINC000042591009 171550496 /nfs/dbraw/zinc/55/04/96/171550496.db2.gz GGXPCYCUHYUCNG-LBPRGKRZSA-N 0 0 220.291 3.544 10 30 BHEERN CC[C@@H](Nc1ccc(C#N)cc1F)C(C)C ZINC000042591012 170914758 /nfs/dbraw/zinc/91/47/58/170914758.db2.gz GGXPCYCUHYUCNG-GFCCVEGCSA-N 0 0 220.291 3.544 10 30 BHEERN CC(C)C[C@H](C)N(C)c1ccc(C#N)cc1F ZINC000042591831 188121118 /nfs/dbraw/zinc/12/11/18/188121118.db2.gz BGNLJFPTOIPRAE-NSHDSACASA-N 0 0 234.318 3.568 10 30 BHEERN CCCCN(c1ccc(N)cc1C#N)[C@@H](C)CC ZINC000042602532 168822678 /nfs/dbraw/zinc/82/26/78/168822678.db2.gz ZXTJALOWOQKXLD-LBPRGKRZSA-N 0 0 245.370 3.545 10 30 BHEERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cc1 ZINC000042610336 176079020 /nfs/dbraw/zinc/07/90/20/176079020.db2.gz HTCCFMIVTMPDCU-DOMZBBRYSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cc1 ZINC000042610337 177080708 /nfs/dbraw/zinc/08/07/08/177080708.db2.gz HTCCFMIVTMPDCU-WFASDCNBSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)cc1 ZINC000042610338 176086245 /nfs/dbraw/zinc/08/62/45/176086245.db2.gz HTCCFMIVTMPDCU-IUODEOHRSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@H]1CCCC[C@H]1N(C)c1ccc(C#N)cc1 ZINC000042610339 177087569 /nfs/dbraw/zinc/08/75/69/177087569.db2.gz HTCCFMIVTMPDCU-SWLSCSKDSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1C#N ZINC000042610340 176079364 /nfs/dbraw/zinc/07/93/64/176079364.db2.gz BEDXYEBTUGNRDW-OCCSQVGLSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@H]1CCCC[C@@H]1N(C)c1ccccc1C#N ZINC000042610341 177081918 /nfs/dbraw/zinc/08/19/18/177081918.db2.gz BEDXYEBTUGNRDW-JSGCOSHPSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@@H]1CCCC[C@H]1N(C)c1ccccc1C#N ZINC000042610342 176086614 /nfs/dbraw/zinc/08/66/14/176086614.db2.gz BEDXYEBTUGNRDW-TZMCWYRMSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@H]1CCCC[C@H]1N(C)c1ccccc1C#N ZINC000042610343 177086917 /nfs/dbraw/zinc/08/69/17/177086917.db2.gz BEDXYEBTUGNRDW-GXTWGEPZSA-N 0 0 228.339 3.573 10 30 BHEERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cc1F ZINC000042610344 176078469 /nfs/dbraw/zinc/07/84/69/176078469.db2.gz WMNONORAGFUWQW-RISCZKNCSA-N 0 0 246.329 3.712 10 30 BHEERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cc1F ZINC000042610345 177081562 /nfs/dbraw/zinc/08/15/62/177081562.db2.gz WMNONORAGFUWQW-FZMZJTMJSA-N 0 0 246.329 3.712 10 30 BHEERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(C#N)cc1F ZINC000042610346 176086864 /nfs/dbraw/zinc/08/68/64/176086864.db2.gz WMNONORAGFUWQW-BXUZGUMPSA-N 0 0 246.329 3.712 10 30 BHEERN C[C@H]1CCCC[C@H]1N(C)c1ccc(C#N)cc1F ZINC000042610347 177087539 /nfs/dbraw/zinc/08/75/39/177087539.db2.gz WMNONORAGFUWQW-SMDDNHRTSA-N 0 0 246.329 3.712 10 30 BHEERN CCCCCCCCCc1cc(O)cc(=O)o1 ZINC000042764357 343450604 /nfs/dbraw/zinc/45/06/04/343450604.db2.gz WOLKINVJRRXENQ-UHFFFAOYSA-N 0 0 238.327 3.639 10 30 BHEERN C[C@@H]1CCCC[C@@H]1CNc1ccccc1C#N ZINC000042804707 176077712 /nfs/dbraw/zinc/07/77/12/176077712.db2.gz ULNHBPWBUGENJE-TZMCWYRMSA-N 0 0 228.339 3.796 10 30 BHEERN C[C@H]1CCCC[C@@H]1CNc1ccccc1C#N ZINC000042804712 177080709 /nfs/dbraw/zinc/08/07/09/177080709.db2.gz ULNHBPWBUGENJE-GXTWGEPZSA-N 0 0 228.339 3.796 10 30 BHEERN C[C@@H]1CCCC[C@H]1CNc1ccccc1C#N ZINC000042804717 176085117 /nfs/dbraw/zinc/08/51/17/176085117.db2.gz ULNHBPWBUGENJE-OCCSQVGLSA-N 0 0 228.339 3.796 10 30 BHEERN C[C@H]1CCCC[C@H]1CNc1ccccc1C#N ZINC000042804722 177085945 /nfs/dbraw/zinc/08/59/45/177085945.db2.gz ULNHBPWBUGENJE-JSGCOSHPSA-N 0 0 228.339 3.796 10 30 BHEERN CC(C)[C@@H](C#N)C(=O)c1csc2ccccc12 ZINC000042891393 167340985 /nfs/dbraw/zinc/34/09/85/167340985.db2.gz OVRARPAWUNZMAN-LLVKDONJSA-N 0 0 243.331 3.880 10 30 BHEERN C=CCCc1ccc(O[C@@H]2CCCCO2)cc1 ZINC000043208759 166305985 /nfs/dbraw/zinc/30/59/85/166305985.db2.gz POBARSDRNHWRIV-OAHLLOKOSA-N 0 0 232.323 3.711 10 30 BHEERN C=CCCc1ccc(O[C@H]2CCCCO2)cc1 ZINC000043208760 166306320 /nfs/dbraw/zinc/30/63/20/166306320.db2.gz POBARSDRNHWRIV-HNNXBMFYSA-N 0 0 232.323 3.711 10 30 BHEERN Cc1cccc(CNc2ccccc2C#N)c1C ZINC000043304750 188295205 /nfs/dbraw/zinc/29/52/05/188295205.db2.gz HVZUBURRNVFAKF-UHFFFAOYSA-N 0 0 236.318 3.787 10 30 BHEERN C=C(Cl)CNc1cc(OC)ccc1Cl ZINC000043317566 343047681 /nfs/dbraw/zinc/04/76/81/343047681.db2.gz AXWAORQPJQKHEY-UHFFFAOYSA-N 0 0 232.110 3.513 10 30 BHEERN Cc1ccc(C#N)c(NC2CCCCCCC2)n1 ZINC000043395403 178362889 /nfs/dbraw/zinc/36/28/89/178362889.db2.gz FZSVHBNHYASQBB-UHFFFAOYSA-N 0 0 243.354 3.787 10 30 BHEERN CCCCC[C@H](C)Nc1nc(C)ccc1C#N ZINC000043395699 168743669 /nfs/dbraw/zinc/74/36/69/168743669.db2.gz QJQJOWQAUHYMHM-NSHDSACASA-N 0 0 231.343 3.642 10 30 BHEERN CCC1CCC(Nc2nc(C)ccc2C#N)CC1 ZINC000043395712 343062729 /nfs/dbraw/zinc/06/27/29/343062729.db2.gz TUGUKXGBMPDTFW-UHFFFAOYSA-N 0 0 243.354 3.642 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(Cl)n2)s1 ZINC000043401822 343065381 /nfs/dbraw/zinc/06/53/81/343065381.db2.gz CJVOYYYQQVUIHL-UHFFFAOYSA-N 0 0 234.711 3.644 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(Cl)n2)c(C)c1 ZINC000043401840 178322486 /nfs/dbraw/zinc/32/24/86/178322486.db2.gz VXMRQDPALHGFNL-UHFFFAOYSA-N 0 0 242.709 3.891 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(Cl)n2)cc1C ZINC000043401879 178323175 /nfs/dbraw/zinc/32/31/75/178323175.db2.gz RZQNKCOMXVAYTM-UHFFFAOYSA-N 0 0 242.709 3.891 10 30 BHEERN CC(C)(C)[C@@H]1CCc2nc(Cl)c(C#N)cc2C1 ZINC000043404684 187267516 /nfs/dbraw/zinc/26/75/16/187267516.db2.gz RFWQVVWPDWYDNQ-LLVKDONJSA-N 0 0 248.757 3.758 10 30 BHEERN CC(C)(C)[C@H]1CCc2nc(Cl)c(C#N)cc2C1 ZINC000043404686 343065184 /nfs/dbraw/zinc/06/51/84/343065184.db2.gz RFWQVVWPDWYDNQ-NSHDSACASA-N 0 0 248.757 3.758 10 30 BHEERN Cc1cc(C#N)c(Cl)nc1-c1cccs1 ZINC000043404714 177723671 /nfs/dbraw/zinc/72/36/71/177723671.db2.gz ATQACOFMQCFJOM-UHFFFAOYSA-N 0 0 234.711 3.644 10 30 BHEERN Cc1cc(C#N)c(Cl)nc1-c1ccccc1 ZINC000043404734 177723514 /nfs/dbraw/zinc/72/35/14/177723514.db2.gz GMJILMAHIKIQIH-UHFFFAOYSA-N 0 0 228.682 3.582 10 30 BHEERN CCCCCCCc1ccc(CO)cc1 ZINC000043411359 358375431 /nfs/dbraw/zinc/37/54/31/358375431.db2.gz YBRZUVMJNIKOKX-UHFFFAOYSA-N 0 0 206.329 3.692 10 30 BHEERN CCCCCCCCC(=O)C(F)(F)F ZINC000043411585 188324959 /nfs/dbraw/zinc/32/49/59/188324959.db2.gz OQHGRUHRHLFMBX-UHFFFAOYSA-N 0 0 210.239 3.868 10 30 BHEERN C=CC[C@H](Nc1ccc(OC)cc1)C(F)(F)F ZINC000043464506 188043325 /nfs/dbraw/zinc/04/33/25/188043325.db2.gz IURKFAZOZAEEOT-NSHDSACASA-N 0 0 245.244 3.614 10 30 BHEERN C=CC[C@@H](Nc1ccc(OC)cc1)C(F)(F)F ZINC000043464507 343077905 /nfs/dbraw/zinc/07/79/05/343077905.db2.gz IURKFAZOZAEEOT-LLVKDONJSA-N 0 0 245.244 3.614 10 30 BHEERN C=C(C)CCCCOCc1ccccc1 ZINC000043502363 343098536 /nfs/dbraw/zinc/09/85/36/343098536.db2.gz XSCMEYYOWYTMTA-UHFFFAOYSA-N 0 0 204.313 3.950 10 30 BHEERN C=C(C)Cc1ccc(OCCCC)cc1 ZINC000043502374 343098400 /nfs/dbraw/zinc/09/84/00/343098400.db2.gz FBFYIALBNKAYKA-UHFFFAOYSA-N 0 0 204.313 3.984 10 30 BHEERN C=C(C)Cc1ccc(OC(C)(C)C)cc1 ZINC000043502376 343098510 /nfs/dbraw/zinc/09/85/10/343098510.db2.gz XYNWUHVZDLXCMI-UHFFFAOYSA-N 0 0 204.313 3.983 10 30 BHEERN C=C(C)Cc1ccccc1C(OCC)OCC ZINC000043502385 343098547 /nfs/dbraw/zinc/09/85/47/343098547.db2.gz UELQVNNAOGQQSW-UHFFFAOYSA-N 0 0 234.339 3.877 10 30 BHEERN C=C(C)Cc1cccc(C(OCC)OCC)c1 ZINC000043502387 343098403 /nfs/dbraw/zinc/09/84/03/343098403.db2.gz WOVJKGAVPFLSCE-UHFFFAOYSA-N 0 0 234.339 3.877 10 30 BHEERN C=C(C)Cc1ccc(C(OCC)OCC)cc1 ZINC000043502390 368976934 /nfs/dbraw/zinc/97/69/34/368976934.db2.gz IYYMGYCKTZTVAP-UHFFFAOYSA-N 0 0 234.339 3.877 10 30 BHEERN C=C(C)CCCc1ccc(OC)c(OC)c1 ZINC000043502417 343098439 /nfs/dbraw/zinc/09/84/39/343098439.db2.gz RKDKBMCOFJOETP-UHFFFAOYSA-N 0 0 220.312 3.603 10 30 BHEERN C=C(C)Cc1c(OC)ccc2ccccc21 ZINC000043502491 343098437 /nfs/dbraw/zinc/09/84/37/343098437.db2.gz NLCHCCGQHXNQOG-UHFFFAOYSA-N 0 0 212.292 3.967 10 30 BHEERN C=C(C)CCCCc1ccc(OC)cc1 ZINC000043502497 343098540 /nfs/dbraw/zinc/09/85/40/343098540.db2.gz ZJTDRELLBBYUHM-UHFFFAOYSA-N 0 0 204.313 3.984 10 30 BHEERN C=C(C)CCc1c(F)c(F)c(OC)c(F)c1F ZINC000043502499 346686239 /nfs/dbraw/zinc/68/62/39/346686239.db2.gz SVPWAAJUUUZEPN-UHFFFAOYSA-N 0 0 248.219 3.760 10 30 BHEERN C=C(C)CCCCCO[C@@H]1CCCCO1 ZINC000043502562 343098384 /nfs/dbraw/zinc/09/83/84/343098384.db2.gz VKEWAOKAJYQUCV-ZDUSSCGKSA-N 0 0 212.333 3.666 10 30 BHEERN C=C(C)CCCCCO[C@H]1CCCCO1 ZINC000043502565 343098301 /nfs/dbraw/zinc/09/83/01/343098301.db2.gz VKEWAOKAJYQUCV-CYBMUJFWSA-N 0 0 212.333 3.666 10 30 BHEERN C=CCCCCCC(OCC)OCC ZINC000043503049 344523955 /nfs/dbraw/zinc/52/39/55/344523955.db2.gz ILNJYQNXZKEWOY-UHFFFAOYSA-N 0 0 200.322 3.522 10 30 BHEERN CCCCC#CCCCC(OCC)OCC ZINC000043503245 364743005 /nfs/dbraw/zinc/74/30/05/364743005.db2.gz RQUYUKTWKLBPFO-UHFFFAOYSA-N 0 0 226.360 3.749 10 30 BHEERN C=CCCCCCCC(OCC)OCC ZINC000043503253 343099470 /nfs/dbraw/zinc/09/94/70/343099470.db2.gz UBSMEFJKOPFZJR-UHFFFAOYSA-N 0 0 214.349 3.912 10 30 BHEERN C=CCc1ccc(C(C)(OCC)OCC)cc1 ZINC000043505076 343101797 /nfs/dbraw/zinc/10/17/97/343101797.db2.gz VMEBEJIMFNAJCE-UHFFFAOYSA-N 0 0 234.339 3.661 10 30 BHEERN C=CCCCCCOCc1ccccc1 ZINC000043505081 343101854 /nfs/dbraw/zinc/10/18/54/343101854.db2.gz JCGGDUWEIJOEMO-UHFFFAOYSA-N 0 0 204.313 3.950 10 30 BHEERN C=CCc1cccc(OCc2ccccc2)c1 ZINC000043505086 343101795 /nfs/dbraw/zinc/10/17/95/343101795.db2.gz UMYKERUZGDRQKN-UHFFFAOYSA-N 0 0 224.303 3.994 10 30 BHEERN C=CCc1ccc(OCc2ccccc2)cc1 ZINC000043505087 350182729 /nfs/dbraw/zinc/18/27/29/350182729.db2.gz RGXAYGBSOLICPF-UHFFFAOYSA-N 0 0 224.303 3.994 10 30 BHEERN C=CCc1c(COC)ccc2ccccc21 ZINC000043505136 343101836 /nfs/dbraw/zinc/10/18/36/343101836.db2.gz SCQXMVJVYIWUNN-UHFFFAOYSA-N 0 0 212.292 3.715 10 30 BHEERN C=C1CC[C@H]2O[C@@]2(C)CC[C@H]2[C@H]1CC2(C)C ZINC000043505168 290785337 /nfs/dbraw/zinc/78/53/37/290785337.db2.gz NVEQFIOZRFFVFW-XPCVCDNBSA-N 0 0 220.356 3.936 10 30 biogenic,in-vitro BHEERN C[C@@H](C#N)Nc1cc(Cl)c(Cl)cc1Cl ZINC000043514147 343115772 /nfs/dbraw/zinc/11/57/72/343115772.db2.gz CHRDCCIWEINEFO-YFKPBYRVSA-N 0 0 249.528 3.971 10 30 BHEERN C[C@H](C#N)Nc1cc(Cl)c(Cl)cc1Cl ZINC000043514148 343115764 /nfs/dbraw/zinc/11/57/64/343115764.db2.gz CHRDCCIWEINEFO-RXMQYKEDSA-N 0 0 249.528 3.971 10 30 BHEERN C[C@@H](C#N)Nc1c(Cl)cc(Cl)cc1Cl ZINC000043514773 343116456 /nfs/dbraw/zinc/11/64/56/343116456.db2.gz UNAGQVPFQWKZMJ-YFKPBYRVSA-N 0 0 249.528 3.971 10 30 BHEERN C[C@H](C#N)Nc1c(Cl)cc(Cl)cc1Cl ZINC000043514774 343116468 /nfs/dbraw/zinc/11/64/68/343116468.db2.gz UNAGQVPFQWKZMJ-RXMQYKEDSA-N 0 0 249.528 3.971 10 30 BHEERN CC[C@@H](C#N)Nc1cc(Cl)ccc1Cl ZINC000043539084 343132100 /nfs/dbraw/zinc/13/21/00/343132100.db2.gz FCEXKCMNZGJJDE-QMMMGPOBSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@H](C#N)Nc1cc(Cl)ccc1Cl ZINC000043539085 343132261 /nfs/dbraw/zinc/13/22/61/343132261.db2.gz FCEXKCMNZGJJDE-MRVPVSSYSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@@H](C#N)Nc1ccc(Cl)cc1Cl ZINC000043539140 343132123 /nfs/dbraw/zinc/13/21/23/343132123.db2.gz SGGQFRQBWFQVCD-QMMMGPOBSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@H](C#N)Nc1ccc(Cl)cc1Cl ZINC000043539141 343131978 /nfs/dbraw/zinc/13/19/78/343131978.db2.gz SGGQFRQBWFQVCD-MRVPVSSYSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@@H](C#N)Nc1ccc(Cl)c(Cl)c1 ZINC000043539224 343132014 /nfs/dbraw/zinc/13/20/14/343132014.db2.gz QFAVMKDBEYXIQG-ZETCQYMHSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@H](C#N)Nc1ccc(Cl)c(Cl)c1 ZINC000043539225 343132294 /nfs/dbraw/zinc/13/22/94/343132294.db2.gz QFAVMKDBEYXIQG-SSDOTTSWSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@@H](C#N)Nc1cccc(Cl)c1Cl ZINC000043539504 343477186 /nfs/dbraw/zinc/47/71/86/343477186.db2.gz LEHKUAIVWUOSBA-ZETCQYMHSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@H](C#N)Nc1cccc(Cl)c1Cl ZINC000043539505 343132318 /nfs/dbraw/zinc/13/23/18/343132318.db2.gz LEHKUAIVWUOSBA-SSDOTTSWSA-N 0 0 229.110 3.707 10 30 BHEERN CC[C@H](C#N)Oc1cc(C)ccc1C(C)C ZINC000043556987 171219749 /nfs/dbraw/zinc/21/97/49/171219749.db2.gz UEUYTZNJTKSKKH-GFCCVEGCSA-N 0 0 217.312 3.799 10 30 BHEERN CC[C@@H](C#N)Oc1ccc(Cl)cc1Cl ZINC000043557036 343143108 /nfs/dbraw/zinc/14/31/08/343143108.db2.gz VFYRDCFIPCIBKK-QMMMGPOBSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@H](C#N)Oc1ccc(Cl)cc1Cl ZINC000043557038 343143042 /nfs/dbraw/zinc/14/30/42/343143042.db2.gz VFYRDCFIPCIBKK-MRVPVSSYSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@@H](C#N)Oc1ccc2ccccc2c1 ZINC000043557058 170660455 /nfs/dbraw/zinc/66/04/55/170660455.db2.gz DMINKECZRCFCCH-ZDUSSCGKSA-N 0 0 211.264 3.521 10 30 BHEERN CC[C@H](C#N)Oc1ccc2ccccc2c1 ZINC000043557060 171219747 /nfs/dbraw/zinc/21/97/47/171219747.db2.gz DMINKECZRCFCCH-CYBMUJFWSA-N 0 0 211.264 3.521 10 30 BHEERN CC[C@@H](C#N)Oc1cccc(Cl)c1Cl ZINC000043557155 343143059 /nfs/dbraw/zinc/14/30/59/343143059.db2.gz FUVCWOVNTLWFCT-ZETCQYMHSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@H](C#N)Oc1cccc(Cl)c1Cl ZINC000043557157 343143120 /nfs/dbraw/zinc/14/31/20/343143120.db2.gz FUVCWOVNTLWFCT-SSDOTTSWSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@H](C#N)Oc1cccc(C(C)(C)C)c1 ZINC000043557282 171219727 /nfs/dbraw/zinc/21/97/27/171219727.db2.gz MSENHPSMEQWISL-GFCCVEGCSA-N 0 0 217.312 3.665 10 30 BHEERN CC[C@@H](C#N)Oc1cc(Cl)cc(Cl)c1 ZINC000043557337 343142505 /nfs/dbraw/zinc/14/25/05/343142505.db2.gz ZOHIRHLUWSKTAX-VIFPVBQESA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@H](C#N)Oc1cc(Cl)cc(Cl)c1 ZINC000043557338 343142548 /nfs/dbraw/zinc/14/25/48/343142548.db2.gz ZOHIRHLUWSKTAX-SECBINFHSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@@H](C#N)Oc1ccc(Cl)c(Cl)c1 ZINC000043557360 343143264 /nfs/dbraw/zinc/14/32/64/343143264.db2.gz SVSDWRPWXSHAHT-ZETCQYMHSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@H](C#N)Oc1ccc(Cl)c(Cl)c1 ZINC000043557362 343143436 /nfs/dbraw/zinc/14/34/36/343143436.db2.gz SVSDWRPWXSHAHT-SSDOTTSWSA-N 0 0 230.094 3.674 10 30 BHEERN CC[C@H](C#N)Oc1cc(C(C)C)ccc1C ZINC000043557366 171219403 /nfs/dbraw/zinc/21/94/03/171219403.db2.gz NEYDGDYSKRJZRY-CYBMUJFWSA-N 0 0 217.312 3.799 10 30 BHEERN C=C(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000043653966 343696606 /nfs/dbraw/zinc/69/66/06/343696606.db2.gz ACKBHZIYQJBCFC-VXGBXAGGSA-N 0 0 208.345 3.984 10 30 BHEERN C=C(C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000043653967 343696763 /nfs/dbraw/zinc/69/67/63/343696763.db2.gz ACKBHZIYQJBCFC-NWDGAFQWSA-N 0 0 208.345 3.984 10 30 BHEERN C=C(C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000043653969 343696724 /nfs/dbraw/zinc/69/67/24/343696724.db2.gz ACKBHZIYQJBCFC-NEPJUHHUSA-N 0 0 208.345 3.984 10 30 BHEERN C=C(C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000043653971 343696700 /nfs/dbraw/zinc/69/67/00/343696700.db2.gz ACKBHZIYQJBCFC-RYUDHWBXSA-N 0 0 208.345 3.984 10 30 BHEERN C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1 ZINC000043764063 574414857 /nfs/dbraw/zinc/41/48/57/574414857.db2.gz DPQYOKVMVCQHMY-QPSCCSFWSA-N 0 0 222.372 3.920 10 30 endogenous,in-man BHEERN CCCCCCCCc1nccnc1OCC ZINC000043834757 187268742 /nfs/dbraw/zinc/26/87/42/187268742.db2.gz XTUICNHKCKZJSI-UHFFFAOYSA-N 0 0 236.359 3.778 10 30 BHEERN N#Cc1cc(F)cc(C(Cl)(Cl)Cl)c1 ZINC000044172037 344658404 /nfs/dbraw/zinc/65/84/04/344658404.db2.gz XNVIMZCRKHTBHR-UHFFFAOYSA-N 0 0 238.476 3.524 10 30 BHEERN N#C[C@@H](C(=O)C1CCCC1)c1ccccc1Cl ZINC000044268792 181054629 /nfs/dbraw/zinc/05/46/29/181054629.db2.gz BNHDYORLZNGUTO-GFCCVEGCSA-N 0 0 247.725 3.706 10 30 BHEERN N#C[C@H](C(=O)C1CCCC1)c1ccccc1Cl ZINC000044268795 181062590 /nfs/dbraw/zinc/06/25/90/181062590.db2.gz BNHDYORLZNGUTO-LBPRGKRZSA-N 0 0 247.725 3.706 10 30 BHEERN N#Cc1sc(-c2ccc(Cl)cc2)cc1N ZINC000044273374 181177474 /nfs/dbraw/zinc/17/74/74/181177474.db2.gz RILCEERLQXSWGX-UHFFFAOYSA-N 0 0 234.711 3.522 10 30 BHEERN N#Cc1cccnc1Nc1ccc2ccccc2c1 ZINC000044289495 181154149 /nfs/dbraw/zinc/15/41/49/181154149.db2.gz JSERTKIAFCZZAO-UHFFFAOYSA-N 0 0 245.285 3.850 10 30 BHEERN N#Cc1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000044315632 181126936 /nfs/dbraw/zinc/12/69/36/181126936.db2.gz XNNPVOBSOJCLOW-UHFFFAOYSA-N 0 0 245.285 3.850 10 30 BHEERN N#CCC1c2ccccc2-c2ccccc21 ZINC000044368155 347206717 /nfs/dbraw/zinc/20/67/17/347206717.db2.gz BNAQKDJXQMYTHQ-UHFFFAOYSA-N 0 0 205.260 3.713 10 30 BHEERN N#CCc1cc(-c2ccccc2)ccc1F ZINC000044369348 181047327 /nfs/dbraw/zinc/04/73/27/181047327.db2.gz YGSABKBBVYZHGQ-UHFFFAOYSA-N 0 0 211.239 3.559 10 30 BHEERN CC(C)=CCCC1=CC[C@@H](C)[C@H](C=O)C1 ZINC000044709679 187394398 /nfs/dbraw/zinc/39/43/98/187394398.db2.gz XLKJWMUGWUWYGB-OCCSQVGLSA-N 0 0 206.329 3.904 10 30 BHEERN CCC/C=C\C=N/c1ccccc1C(=O)OC ZINC000044710173 188296492 /nfs/dbraw/zinc/29/64/92/188296492.db2.gz IGAVEPCBGZDTJY-MBJKOGJFSA-N 0 0 231.295 3.532 10 30 BHEERN Cc1cccc(C(C)C)c1NC(=O)C(C)(C)C#N ZINC000044752432 188296489 /nfs/dbraw/zinc/29/64/89/188296489.db2.gz YYUVUVZMGFNPTM-UHFFFAOYSA-N 0 0 244.338 3.607 10 30 BHEERN O/N=C1/CC[C@@H](c2ccccc2)c2ccccc21 ZINC000044857645 384361358 /nfs/dbraw/zinc/36/13/58/384361358.db2.gz CUNFMDVPFQXOLA-WPCFGXOUSA-N 0 0 237.302 3.791 10 30 BHEERN O/N=C1/CC[C@H](c2ccccc2)c2ccccc21 ZINC000044857646 384362414 /nfs/dbraw/zinc/36/24/14/384362414.db2.gz CUNFMDVPFQXOLA-VLUKHXRESA-N 0 0 237.302 3.791 10 30 BHEERN C=CCO[C@@H](C)c1nc2ccccc2s1 ZINC000045235990 166420105 /nfs/dbraw/zinc/42/01/05/166420105.db2.gz UGPXTEXRHJZDSM-VIFPVBQESA-N 0 0 219.309 3.560 10 30 BHEERN C=CCO[C@H](C)c1nc2ccccc2s1 ZINC000045235991 386746664 /nfs/dbraw/zinc/74/66/64/386746664.db2.gz UGPXTEXRHJZDSM-SECBINFHSA-N 0 0 219.309 3.560 10 30 BHEERN CCCCC#Cc1nc2ccccc2s1 ZINC000045236149 191687108 /nfs/dbraw/zinc/68/71/08/191687108.db2.gz QMDHTEJOAXWJTG-UHFFFAOYSA-N 0 0 215.321 3.838 10 30 BHEERN C=CCSc1nc2cc(F)ccc2s1 ZINC000045237193 386745137 /nfs/dbraw/zinc/74/51/37/386745137.db2.gz RCJUEJAFNQIEHP-UHFFFAOYSA-N 0 0 225.313 3.714 10 30 BHEERN C=C[C@H](CC)Oc1nc2ccccc2s1 ZINC000045237321 352664874 /nfs/dbraw/zinc/66/48/74/352664874.db2.gz PDZGIDUPDUTPIG-SECBINFHSA-N 0 0 219.309 3.640 10 30 BHEERN C=C[C@@H](CC)Oc1nc2ccccc2s1 ZINC000045237322 188216581 /nfs/dbraw/zinc/21/65/81/188216581.db2.gz PDZGIDUPDUTPIG-VIFPVBQESA-N 0 0 219.309 3.640 10 30 BHEERN CC(C)=NSc1nc2ccccc2s1 ZINC000045237741 188298018 /nfs/dbraw/zinc/29/80/18/188298018.db2.gz YJMOEEBTRSKZGR-UHFFFAOYSA-N 0 0 222.338 3.784 10 30 BHEERN N#CCCCCc1nc2ccccc2s1 ZINC000045237943 384384054 /nfs/dbraw/zinc/38/40/54/384384054.db2.gz NIXVOTCDTSMFIF-UHFFFAOYSA-N 0 0 216.309 3.533 10 30 BHEERN O=C1CCC=C1c1ccc(Cl)c(Cl)c1 ZINC000045335975 182725817 /nfs/dbraw/zinc/72/58/17/182725817.db2.gz FUUHAPRZQJLGMA-UHFFFAOYSA-N 0 0 227.090 3.740 10 30 BHEERN N#Cc1ccc(F)cc1-c1ccc(F)cc1 ZINC000047204163 342901613 /nfs/dbraw/zinc/90/16/13/342901613.db2.gz SSSRJBNKMXYLHD-UHFFFAOYSA-N 0 0 215.202 3.503 10 30 BHEERN N#Cc1ccc(F)c(-c2ccccc2F)c1 ZINC000047204173 181112986 /nfs/dbraw/zinc/11/29/86/181112986.db2.gz YNFCRANZJIFZPI-UHFFFAOYSA-N 0 0 215.202 3.503 10 30 BHEERN N#Cc1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000047204175 181113315 /nfs/dbraw/zinc/11/33/15/181113315.db2.gz BRLVEVOLMWACMF-UHFFFAOYSA-N 0 0 215.202 3.503 10 30 BHEERN N#Cc1ccc(-c2ccccc2F)cc1F ZINC000047204179 342901451 /nfs/dbraw/zinc/90/14/51/342901451.db2.gz IKUOWHWWAZAMOV-UHFFFAOYSA-N 0 0 215.202 3.503 10 30 BHEERN N#CCc1ccc(-c2ccccc2)cc1F ZINC000047207588 342901457 /nfs/dbraw/zinc/90/14/57/342901457.db2.gz IBLRXNVZKVSCJR-UHFFFAOYSA-N 0 0 211.239 3.559 10 30 BHEERN N#CCc1c[nH]c2ccc(-c3ccccc3)cc12 ZINC000047212098 181047131 /nfs/dbraw/zinc/04/71/31/181047131.db2.gz LCLOFTPUHDKCCJ-UHFFFAOYSA-N 0 0 232.286 3.901 10 30 BHEERN N#Cc1ccc(C(F)(F)F)cc1-c1cccnc1 ZINC000047214576 342902381 /nfs/dbraw/zinc/90/23/81/342902381.db2.gz LSUNTDZQLSWWQM-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN C[C@@H](C#N)Oc1ccc(Cl)c2ccccc12 ZINC000047822323 343566353 /nfs/dbraw/zinc/56/63/53/343566353.db2.gz BSYKWUHSMJWYGM-VIFPVBQESA-N 0 0 231.682 3.784 10 30 BHEERN C[C@H](C#N)Oc1ccc(Cl)c2ccccc12 ZINC000047822326 176555491 /nfs/dbraw/zinc/55/54/91/176555491.db2.gz BSYKWUHSMJWYGM-SECBINFHSA-N 0 0 231.682 3.784 10 30 BHEERN C[C@H](C#N)Nc1ccccc1-c1ccccc1 ZINC000047826340 176555326 /nfs/dbraw/zinc/55/53/26/176555326.db2.gz JMGZYGXAMLLFHP-GFCCVEGCSA-N 0 0 222.291 3.678 10 30 BHEERN C[C@H](C#N)Nc1ccccc1Oc1ccccc1 ZINC000047826362 176555327 /nfs/dbraw/zinc/55/53/27/176555327.db2.gz HPNPBDMYMNJALB-GFCCVEGCSA-N 0 0 238.290 3.803 10 30 BHEERN Cc1cc(C(C)(C)C)ccc1O[C@@H](C)C#N ZINC000047873974 384466843 /nfs/dbraw/zinc/46/68/43/384466843.db2.gz OKQSDULMFBJJNI-NSHDSACASA-N 0 0 217.312 3.583 10 30 BHEERN Cc1cc(C(C)(C)C)ccc1O[C@H](C)C#N ZINC000047873975 384468075 /nfs/dbraw/zinc/46/80/75/384468075.db2.gz OKQSDULMFBJJNI-LLVKDONJSA-N 0 0 217.312 3.583 10 30 BHEERN CC(C)c1ccc([C@@H](C)NC[C@@H](C)C#N)cc1 ZINC000047979538 343569710 /nfs/dbraw/zinc/56/97/10/343569710.db2.gz JDXICCZKTHPKAI-QWHCGFSZSA-N 0 0 230.355 3.620 10 30 BHEERN CC(C)c1ccc([C@H](C)NC[C@@H](C)C#N)cc1 ZINC000047979540 343569752 /nfs/dbraw/zinc/56/97/52/343569752.db2.gz JDXICCZKTHPKAI-STQMWFEESA-N 0 0 230.355 3.620 10 30 BHEERN CC(C)c1ccc([C@@H](C)NC[C@H](C)C#N)cc1 ZINC000047979541 343569493 /nfs/dbraw/zinc/56/94/93/343569493.db2.gz JDXICCZKTHPKAI-CHWSQXEVSA-N 0 0 230.355 3.620 10 30 BHEERN CC(C)c1ccc([C@H](C)NC[C@H](C)C#N)cc1 ZINC000047979543 343569693 /nfs/dbraw/zinc/56/96/93/343569693.db2.gz JDXICCZKTHPKAI-OLZOCXBDSA-N 0 0 230.355 3.620 10 30 BHEERN C[C@@H](CC#N)C(=O)c1cccc2ccccc21 ZINC000048259067 188297604 /nfs/dbraw/zinc/29/76/04/188297604.db2.gz WLXCYWBFXWLDHE-NSHDSACASA-N 0 0 223.275 3.572 10 30 BHEERN CC[C@@H](C)Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000048264530 170765795 /nfs/dbraw/zinc/76/57/95/170765795.db2.gz QROGRMLIEPZHHU-MRVPVSSYSA-N 0 0 243.228 3.754 10 30 BHEERN CC[C@H](C)Oc1ccc(C#N)c(C(F)(F)F)c1 ZINC000048264532 171356468 /nfs/dbraw/zinc/35/64/68/171356468.db2.gz QROGRMLIEPZHHU-QMMMGPOBSA-N 0 0 243.228 3.754 10 30 BHEERN CC[C@H](C)Oc1ccc(C(F)(F)F)cc1C#N ZINC000048264536 171355872 /nfs/dbraw/zinc/35/58/72/171355872.db2.gz VYPSCGWOQZUGHT-QMMMGPOBSA-N 0 0 243.228 3.754 10 30 BHEERN C[C@@H](C#N)Sc1ccc(C(C)(C)C)cc1 ZINC000048402627 384489898 /nfs/dbraw/zinc/48/98/98/384489898.db2.gz QVXMWLUUWBJACM-JTQLQIEISA-N 0 0 219.353 3.988 10 30 BHEERN C[C@H](C#N)Sc1ccc(C(C)(C)C)cc1 ZINC000048402631 384490392 /nfs/dbraw/zinc/49/03/92/384490392.db2.gz QVXMWLUUWBJACM-SNVBAGLBSA-N 0 0 219.353 3.988 10 30 BHEERN CC[C@H](Nc1snc(Cl)c1C#N)C(C)C ZINC000048983062 641706424 /nfs/dbraw/zinc/70/64/24/641706424.db2.gz FMTBIBQGLNABGN-QMMMGPOBSA-N 0 0 243.763 3.515 10 30 BHEERN CC[C@@H](Nc1snc(Cl)c1C#N)C(C)C ZINC000048983065 641706101 /nfs/dbraw/zinc/70/61/01/641706101.db2.gz FMTBIBQGLNABGN-MRVPVSSYSA-N 0 0 243.763 3.515 10 30 BHEERN N#Cc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000049136914 181141546 /nfs/dbraw/zinc/14/15/46/181141546.db2.gz DLPVWYCMJSMKHE-UHFFFAOYSA-N 0 0 247.301 3.652 10 30 BHEERN CCc1nc(Nc2ccccc2C#N)sc1C ZINC000049185809 172000454 /nfs/dbraw/zinc/00/04/54/172000454.db2.gz WDIZZTCBOFMBKH-UHFFFAOYSA-N 0 0 243.335 3.629 10 30 BHEERN N#Cc1ccccc1Nc1nc(C2CC2)cs1 ZINC000049237382 181149271 /nfs/dbraw/zinc/14/92/71/181149271.db2.gz IFDPHQAKEMLASK-UHFFFAOYSA-N 0 0 241.319 3.636 10 30 BHEERN SCc1cscc1-c1ccccc1 ZINC000049453889 183315957 /nfs/dbraw/zinc/31/59/57/183315957.db2.gz AECOJGBBJSKRPH-UHFFFAOYSA-N 0 0 206.335 3.845 10 30 BHEERN COc1ccc(-c2cscc2CS)cc1 ZINC000049453890 175038003 /nfs/dbraw/zinc/03/80/03/175038003.db2.gz FHRXPJMLCBOUMC-UHFFFAOYSA-N 0 0 236.361 3.854 10 30 BHEERN CC(C)Oc1ccc(NCCCCC#N)cc1 ZINC000049578385 167297411 /nfs/dbraw/zinc/29/74/11/167297411.db2.gz RLYMRPDCJMPWEH-UHFFFAOYSA-N 0 0 232.327 3.580 10 30 BHEERN N#CCCCCOc1cc2ccccc2cc1O ZINC000049578856 187270299 /nfs/dbraw/zinc/27/02/99/187270299.db2.gz DLGDUDXAYGUVQA-UHFFFAOYSA-N 0 0 241.290 3.618 10 30 BHEERN N#CCCCCOc1ccc2ccc(O)cc2c1 ZINC000049578857 187780171 /nfs/dbraw/zinc/78/01/71/187780171.db2.gz SBEXALWRBCLKLK-UHFFFAOYSA-N 0 0 241.290 3.618 10 30 BHEERN Cc1ccc(COc2ccc(C#N)cc2)cc1C ZINC000049668745 188298390 /nfs/dbraw/zinc/29/83/90/188298390.db2.gz GEPWIDXGWNOVEF-UHFFFAOYSA-N 0 0 237.302 3.754 10 30 BHEERN Cc1ccc(COc2cccc(C#N)c2)cc1C ZINC000049668746 187269849 /nfs/dbraw/zinc/26/98/49/187269849.db2.gz QBFLIHVSIFNUDU-UHFFFAOYSA-N 0 0 237.302 3.754 10 30 BHEERN Cc1ccc(C)c([C@H](C#N)Nc2ccccc2)c1 ZINC000049670608 178499814 /nfs/dbraw/zinc/49/98/14/178499814.db2.gz KVNRLZVXCXRDCD-INIZCTEOSA-N 0 0 236.318 3.980 10 30 BHEERN Cc1ccc(C)c([C@H](C#N)NC2CCCCC2)c1 ZINC000049670744 178499600 /nfs/dbraw/zinc/49/96/00/178499600.db2.gz HOCXUIRFTUJYBF-INIZCTEOSA-N 0 0 242.366 3.790 10 30 BHEERN N#C[C@@H](C(=O)C1CCCCC1)c1ccccc1F ZINC000049671540 181054197 /nfs/dbraw/zinc/05/41/97/181054197.db2.gz VYGZJEXWDRTWGD-CYBMUJFWSA-N 0 0 245.297 3.582 10 30 BHEERN N#C[C@H](C(=O)C1CCCCC1)c1ccccc1F ZINC000049671541 181062581 /nfs/dbraw/zinc/06/25/81/181062581.db2.gz VYGZJEXWDRTWGD-ZDUSSCGKSA-N 0 0 245.297 3.582 10 30 BHEERN N#CC1(c2ccccc2F)CCCCCC1 ZINC000049671860 181031730 /nfs/dbraw/zinc/03/17/30/181031730.db2.gz OBHMIQFIWFUVNG-UHFFFAOYSA-N 0 0 217.287 3.941 10 30 BHEERN Cc1cc(CNc2ccccc2C#N)c(C)s1 ZINC000049684947 178042761 /nfs/dbraw/zinc/04/27/61/178042761.db2.gz OBWQRCYAGVATJO-UHFFFAOYSA-N 0 0 242.347 3.849 10 30 BHEERN Cc1cc([C@@H](C#N)NC2CCCCC2)c(C)s1 ZINC000049687624 178220016 /nfs/dbraw/zinc/22/00/16/178220016.db2.gz CDIFEUVNGIFTOR-CQSZACIVSA-N 0 0 248.395 3.852 10 30 BHEERN Cc1cc([C@H](C#N)NC2CCCCC2)c(C)s1 ZINC000049687625 178244244 /nfs/dbraw/zinc/24/42/44/178244244.db2.gz CDIFEUVNGIFTOR-AWEZNQCLSA-N 0 0 248.395 3.852 10 30 BHEERN Cc1cc([C@@H](C#N)N2CCCCCC2)c(C)s1 ZINC000049688014 178220001 /nfs/dbraw/zinc/22/00/01/178220001.db2.gz TVVPSDGJBFKEMG-CQSZACIVSA-N 0 0 248.395 3.806 10 30 BHEERN Cc1cc([C@H](C#N)N2CCCCCC2)c(C)s1 ZINC000049688015 178244619 /nfs/dbraw/zinc/24/46/19/178244619.db2.gz TVVPSDGJBFKEMG-AWEZNQCLSA-N 0 0 248.395 3.806 10 30 BHEERN C[C@@H](c1cccs1)N(C)c1ccc(C#N)cc1 ZINC000049728464 176033332 /nfs/dbraw/zinc/03/33/32/176033332.db2.gz AGOSDROUBAVKEV-NSHDSACASA-N 0 0 242.347 3.817 10 30 BHEERN C[C@H](c1cccs1)N(C)c1ccc(C#N)cc1 ZINC000049728465 177049488 /nfs/dbraw/zinc/04/94/88/177049488.db2.gz AGOSDROUBAVKEV-LLVKDONJSA-N 0 0 242.347 3.817 10 30 BHEERN C[C@@H](c1cccs1)N(C)c1ccccc1C#N ZINC000049728467 176033615 /nfs/dbraw/zinc/03/36/15/176033615.db2.gz CYQXTRGHTSCFDW-NSHDSACASA-N 0 0 242.347 3.817 10 30 BHEERN C[C@H](c1cccs1)N(C)c1ccccc1C#N ZINC000049728469 177048510 /nfs/dbraw/zinc/04/85/10/177048510.db2.gz CYQXTRGHTSCFDW-LLVKDONJSA-N 0 0 242.347 3.817 10 30 BHEERN CC(C)c1ccc([C@H](C#N)N2CCCCC2)cc1 ZINC000049786123 167616827 /nfs/dbraw/zinc/61/68/27/167616827.db2.gz LLYUXGMCKVIBFZ-INIZCTEOSA-N 0 0 242.366 3.861 10 30 BHEERN CC(C)c1ccc(CC(C)(C)C#N)cc1 ZINC000049804148 167592293 /nfs/dbraw/zinc/59/22/93/167592293.db2.gz RHWKSZCFCHAFOB-UHFFFAOYSA-N 0 0 201.313 3.902 10 30 BHEERN Cc1ccc(Cl)cc1-c1ccc(C#N)o1 ZINC000049816484 178660746 /nfs/dbraw/zinc/66/07/46/178660746.db2.gz ICTWKQRUSKVZTP-UHFFFAOYSA-N 0 0 217.655 3.780 10 30 BHEERN C[C@@H]1CC[C@H](C)c2nc(Cl)c(C#N)cc21 ZINC000049818066 177187377 /nfs/dbraw/zinc/18/73/77/177187377.db2.gz WMAZWWDULPSJCF-SFYZADRCSA-N 0 0 220.703 3.607 10 30 BHEERN C[C@H]1CC[C@H](C)c2nc(Cl)c(C#N)cc21 ZINC000049818067 177200295 /nfs/dbraw/zinc/20/02/95/177200295.db2.gz WMAZWWDULPSJCF-YUMQZZPRSA-N 0 0 220.703 3.607 10 30 BHEERN C[C@@H]1CC[C@@H](C)c2nc(Cl)c(C#N)cc21 ZINC000049818068 176199791 /nfs/dbraw/zinc/19/97/91/176199791.db2.gz WMAZWWDULPSJCF-HTQZYQBOSA-N 0 0 220.703 3.607 10 30 BHEERN C[C@@H]1CC[C@H](C)c2cc(C#N)c(Cl)nc21 ZINC000049818069 177187438 /nfs/dbraw/zinc/18/74/38/177187438.db2.gz WMAZWWDULPSJCF-JGVFFNPUSA-N 0 0 220.703 3.607 10 30 BHEERN CC(C)c1ccc(-c2ccc(C#N)cn2)cc1 ZINC000049818912 167580267 /nfs/dbraw/zinc/58/02/67/167580267.db2.gz TWIDRHQTBDMBMZ-UHFFFAOYSA-N 0 0 222.291 3.744 10 30 BHEERN CCCc1ccc(-c2ccc(C#N)cn2)cc1 ZINC000049818918 169568234 /nfs/dbraw/zinc/56/82/34/169568234.db2.gz HZIAUIWDJUDPEP-UHFFFAOYSA-N 0 0 222.291 3.573 10 30 BHEERN COc1cccc(-c2cc(C#N)ccc2C)c1 ZINC000049819340 175233656 /nfs/dbraw/zinc/23/36/56/175233656.db2.gz XCMFFJXAOQSXIH-UHFFFAOYSA-N 0 0 223.275 3.542 10 30 BHEERN Cc1ccc(-c2[nH]c(=S)c(C#N)cc2C)cc1 ZINC000049830223 178335274 /nfs/dbraw/zinc/33/52/74/178335274.db2.gz HBCGDJZCDSCPOP-UHFFFAOYSA-N 0 0 240.331 3.526 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(=S)[nH]2)cc1C ZINC000049830225 178323350 /nfs/dbraw/zinc/32/33/50/178323350.db2.gz IGVTZOUZAYOOAQ-UHFFFAOYSA-N 0 0 240.331 3.526 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(=S)[nH]2)c(C)c1 ZINC000049830227 178323131 /nfs/dbraw/zinc/32/31/31/178323131.db2.gz JCESZBNRYSHELI-UHFFFAOYSA-N 0 0 240.331 3.526 10 30 BHEERN Cc1cccc([C@@H](C#N)C(=O)C2CCCCC2)c1 ZINC000049830620 179177841 /nfs/dbraw/zinc/17/78/41/179177841.db2.gz RRYNIYKABGTHOA-OAHLLOKOSA-N 0 0 241.334 3.752 10 30 BHEERN Cc1cccc([C@H](C#N)C(=O)C2CCCCC2)c1 ZINC000049830621 179191879 /nfs/dbraw/zinc/19/18/79/179191879.db2.gz RRYNIYKABGTHOA-HNNXBMFYSA-N 0 0 241.334 3.752 10 30 BHEERN CCC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000049830856 168251649 /nfs/dbraw/zinc/25/16/49/168251649.db2.gz VAXPXCHFZZPDNY-QMMMGPOBSA-N 0 0 242.105 3.580 10 30 BHEERN CCC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000049830857 168252437 /nfs/dbraw/zinc/25/24/37/168252437.db2.gz VAXPXCHFZZPDNY-MRVPVSSYSA-N 0 0 242.105 3.580 10 30 BHEERN CCCNc1nc(-c2cccs2)ccc1C#N ZINC000049831455 169295454 /nfs/dbraw/zinc/29/54/54/169295454.db2.gz RRXNSMWHSAUSTA-UHFFFAOYSA-N 0 0 243.335 3.504 10 30 BHEERN N#Cc1ccc(-c2cccc(Br)c2)o1 ZINC000049836044 181095506 /nfs/dbraw/zinc/09/55/06/181095506.db2.gz LBYAIZOCRRLHKW-UHFFFAOYSA-N 0 0 248.079 3.581 10 30 BHEERN CC[C@H](Nc1ncccc1C#N)c1ccccc1 ZINC000050197621 134652343 /nfs/dbraw/zinc/65/23/43/134652343.db2.gz ULDNPCHPHIDQIV-AWEZNQCLSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@@H](Nc1ncccc1C#N)c1ccccc1 ZINC000050197623 358717938 /nfs/dbraw/zinc/71/79/38/358717938.db2.gz ULDNPCHPHIDQIV-CQSZACIVSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@H](Nc1ccc(C#N)cn1)c1ccccc1 ZINC000050197630 357388834 /nfs/dbraw/zinc/38/88/34/357388834.db2.gz VMONCKWAWADDKO-AWEZNQCLSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@@H](Nc1ccc(C#N)cn1)c1ccccc1 ZINC000050197631 357389158 /nfs/dbraw/zinc/38/91/58/357389158.db2.gz VMONCKWAWADDKO-CQSZACIVSA-N 0 0 237.306 3.516 10 30 BHEERN N#Cc1ccccc1N1CC[C@@H](c2ccccc2)C1 ZINC000050266888 181147731 /nfs/dbraw/zinc/14/77/31/181147731.db2.gz NRKINYMWJNNCMP-MRXNPFEDSA-N 0 0 248.329 3.552 10 30 BHEERN N#Cc1ccccc1N1CC[C@H](c2ccccc2)C1 ZINC000050266889 181148388 /nfs/dbraw/zinc/14/83/88/181148388.db2.gz NRKINYMWJNNCMP-INIZCTEOSA-N 0 0 248.329 3.552 10 30 BHEERN O=C(c1ccc(F)cc1)C1=CCCCC1 ZINC000050324802 344673259 /nfs/dbraw/zinc/67/32/59/344673259.db2.gz OOKJOVMLXHSBNH-UHFFFAOYSA-N 0 0 204.244 3.509 10 30 BHEERN O=C(c1ccccc1F)C1=CCCCC1 ZINC000050324816 344672940 /nfs/dbraw/zinc/67/29/40/344672940.db2.gz JVQAMUOIIWTMEV-UHFFFAOYSA-N 0 0 204.244 3.509 10 30 BHEERN Cc1ccc(C(=O)C2=CCCCC2)cc1 ZINC000050324819 344672883 /nfs/dbraw/zinc/67/28/83/344672883.db2.gz QTRHOMPEGYRFSZ-UHFFFAOYSA-N 0 0 200.281 3.678 10 30 BHEERN Cc1cc(C(=O)C2=CCCCC2)c(C)o1 ZINC000050324998 344673145 /nfs/dbraw/zinc/67/31/45/344673145.db2.gz DLBVZKTUFDWZOZ-UHFFFAOYSA-N 0 0 204.269 3.580 10 30 BHEERN O=C(C1=CCCC1)c1cccc(C(F)(F)F)c1 ZINC000050325031 181856351 /nfs/dbraw/zinc/85/63/51/181856351.db2.gz IXGJEGPEEWCENR-UHFFFAOYSA-N 0 0 240.224 3.998 10 30 BHEERN O=C(Cc1ccc(Cl)cc1)C1=CCCC1 ZINC000050325037 344673214 /nfs/dbraw/zinc/67/32/14/344673214.db2.gz OSJNSHOFJVWGNR-UHFFFAOYSA-N 0 0 220.699 3.562 10 30 BHEERN O=C(C1=CCCC1)c1ccccc1Cl ZINC000050325045 344673033 /nfs/dbraw/zinc/67/30/33/344673033.db2.gz UAQUWUBQYCAPFA-UHFFFAOYSA-N 0 0 206.672 3.633 10 30 BHEERN O=C(C1=CCCC1)c1ccc(Cl)cc1 ZINC000050325054 344673178 /nfs/dbraw/zinc/67/31/78/344673178.db2.gz QBXASLSWOVOUFX-UHFFFAOYSA-N 0 0 206.672 3.633 10 30 BHEERN O=C(C1=CCCC1)c1ccc(F)cc1Cl ZINC000050325112 344672917 /nfs/dbraw/zinc/67/29/17/344672917.db2.gz GMRGYWOKNROCEJ-UHFFFAOYSA-N 0 0 224.662 3.772 10 30 BHEERN O=C(C1=CCCC1)c1ccccc1OC(F)F ZINC000050325159 181856124 /nfs/dbraw/zinc/85/61/24/181856124.db2.gz HKQHSEOCUPGOMJ-UHFFFAOYSA-N 0 0 238.233 3.581 10 30 BHEERN O=C(C1=CCCC1)c1ccc(Cl)cc1F ZINC000050325187 344673188 /nfs/dbraw/zinc/67/31/88/344673188.db2.gz YPUMYCSFHBKINH-UHFFFAOYSA-N 0 0 224.662 3.772 10 30 BHEERN O=C(C1=CCCC1)c1cc(Cl)ccc1F ZINC000050325188 344673250 /nfs/dbraw/zinc/67/32/50/344673250.db2.gz SCIJKQUUGGFINS-UHFFFAOYSA-N 0 0 224.662 3.772 10 30 BHEERN Cc1ccc(C)c(C(=O)C2=CCCC2)c1 ZINC000050325190 344673266 /nfs/dbraw/zinc/67/32/66/344673266.db2.gz JCAWTWPUMHUFQH-UHFFFAOYSA-N 0 0 200.281 3.596 10 30 BHEERN O=C(c1cc2c(s1)CCC2)C1=CCCC1 ZINC000050325258 344673194 /nfs/dbraw/zinc/67/31/94/344673194.db2.gz WBEQHQBDBQNWNS-UHFFFAOYSA-N 0 0 218.321 3.530 10 30 BHEERN CCc1ccc(C(=O)C2=CCCC2)s1 ZINC000050325289 344672844 /nfs/dbraw/zinc/67/28/44/344672844.db2.gz VWANKOWGWGBCGV-UHFFFAOYSA-N 0 0 206.310 3.604 10 30 BHEERN COc1ccccc1C(=O)C1=CCCCCC1 ZINC000050325318 175316730 /nfs/dbraw/zinc/31/67/30/175316730.db2.gz BHKASNSWLDPYSG-UHFFFAOYSA-N 0 0 230.307 3.768 10 30 BHEERN O=C(Cc1cccc(F)c1)C1=CCCCCC1 ZINC000050325391 182040387 /nfs/dbraw/zinc/04/03/87/182040387.db2.gz WCMGSUOEJWMOIS-UHFFFAOYSA-N 0 0 232.298 3.828 10 30 BHEERN O=C(Cc1ccc(F)cc1)C1=CCCCCC1 ZINC000050325417 182035519 /nfs/dbraw/zinc/03/55/19/182035519.db2.gz DISICZXWQXJVSJ-UHFFFAOYSA-N 0 0 232.298 3.828 10 30 BHEERN Cc1ccoc1C(=O)C1=CCCCCC1 ZINC000050325443 344673095 /nfs/dbraw/zinc/67/30/95/344673095.db2.gz BNXGYZZBUNIAJO-UHFFFAOYSA-N 0 0 204.269 3.661 10 30 BHEERN C[C@@H](Nc1ccc(CC#N)cc1)c1ccsc1 ZINC000050342209 187435853 /nfs/dbraw/zinc/43/58/53/187435853.db2.gz RGGNJYAMVQYBBM-LLVKDONJSA-N 0 0 242.347 3.987 10 30 BHEERN CC(C)(C)C1CCN(c2ccccc2C#N)CC1 ZINC000050348755 534559461 /nfs/dbraw/zinc/55/94/61/534559461.db2.gz JIPIGNXJXOGLJK-UHFFFAOYSA-N 0 0 242.366 3.821 10 30 BHEERN CC[C@H](C)COc1ccc(C)cc1/C(C)=N/O ZINC000050424998 171291448 /nfs/dbraw/zinc/29/14/48/171291448.db2.gz YTEPFIIUGFXELH-PTFXAJSMSA-N 0 0 235.327 3.618 10 30 BHEERN Cc1ccc(C#N)cc1NCC1CCCCC1 ZINC000050429141 178367414 /nfs/dbraw/zinc/36/74/14/178367414.db2.gz DPASMUXIOGLRPX-UHFFFAOYSA-N 0 0 228.339 3.859 10 30 BHEERN Cc1ccc(C#N)cc1N[C@@H](C)CC(C)C ZINC000050429330 387101744 /nfs/dbraw/zinc/10/17/44/387101744.db2.gz XWQJIABXHODLRA-LBPRGKRZSA-N 0 0 216.328 3.713 10 30 BHEERN Cc1ccc(C#N)cc1N[C@H](C)CC(C)C ZINC000050429332 322850361 /nfs/dbraw/zinc/85/03/61/322850361.db2.gz XWQJIABXHODLRA-GFCCVEGCSA-N 0 0 216.328 3.713 10 30 BHEERN Cc1ccc(C#N)cc1NCCC(C)(C)C ZINC000050430155 178367815 /nfs/dbraw/zinc/36/78/15/178367815.db2.gz RWFIGGUAQYHUGT-UHFFFAOYSA-N 0 0 216.328 3.715 10 30 BHEERN C#CCNc1cc(Cl)c(Cl)cc1Cl ZINC000050521762 344705614 /nfs/dbraw/zinc/70/56/14/344705614.db2.gz OOKHREMUZDLYFS-UHFFFAOYSA-N 0 0 234.513 3.692 10 30 BHEERN C=CCNc1c(C)cc(Br)cc1C ZINC000050521797 344706243 /nfs/dbraw/zinc/70/62/43/344706243.db2.gz JAPSMYXZRRHDCP-UHFFFAOYSA-N 0 0 240.144 3.664 10 30 BHEERN C#CCNc1c(Cl)cc(Cl)cc1Cl ZINC000050521819 344706255 /nfs/dbraw/zinc/70/62/55/344706255.db2.gz LHKFVVWQMGQFJC-UHFFFAOYSA-N 0 0 234.513 3.692 10 30 BHEERN N#C[C@H]1CCCCC[C@H]1n1ncc2ccccc21 ZINC000050525807 181067238 /nfs/dbraw/zinc/06/72/38/181067238.db2.gz WJSLBYPWQARTMN-TZMCWYRMSA-N 0 0 239.322 3.681 10 30 BHEERN N#C[C@H]1CCCCC[C@@H]1n1ncc2ccccc21 ZINC000050525810 181067838 /nfs/dbraw/zinc/06/78/38/181067838.db2.gz WJSLBYPWQARTMN-OCCSQVGLSA-N 0 0 239.322 3.681 10 30 BHEERN N#C[C@@H]1CCCCC[C@H]1n1ncc2ccccc21 ZINC000050525813 181058604 /nfs/dbraw/zinc/05/86/04/181058604.db2.gz WJSLBYPWQARTMN-GXTWGEPZSA-N 0 0 239.322 3.681 10 30 BHEERN N#C[C@@H]1CCCCC[C@@H]1n1ncc2ccccc21 ZINC000050525816 181058626 /nfs/dbraw/zinc/05/86/26/181058626.db2.gz WJSLBYPWQARTMN-JSGCOSHPSA-N 0 0 239.322 3.681 10 30 BHEERN Cc1cc(F)ccc1CNc1ccccc1C#N ZINC000050569084 178086749 /nfs/dbraw/zinc/08/67/49/178086749.db2.gz YOHVBODWCSBGOY-UHFFFAOYSA-N 0 0 240.281 3.618 10 30 BHEERN Cc1cc(F)ccc1[C@@H](C#N)N1CCCCCC1 ZINC000050580661 178092434 /nfs/dbraw/zinc/09/24/34/178092434.db2.gz LJTREDOAZRABTD-OAHLLOKOSA-N 0 0 246.329 3.575 10 30 BHEERN Cc1cc(F)ccc1[C@H](C#N)N1CCCCCC1 ZINC000050580664 178091862 /nfs/dbraw/zinc/09/18/62/178091862.db2.gz LJTREDOAZRABTD-HNNXBMFYSA-N 0 0 246.329 3.575 10 30 BHEERN CCCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000050842405 169293290 /nfs/dbraw/zinc/29/32/90/169293290.db2.gz AZSLPCFBWHQRCH-UHFFFAOYSA-N 0 0 245.713 3.582 10 30 BHEERN CCCNc1c(C#N)cnc2c(C)ccc(C)c21 ZINC000050842643 169293682 /nfs/dbraw/zinc/29/36/82/169293682.db2.gz SIOUFWVQIONJKI-UHFFFAOYSA-N 0 0 239.322 3.545 10 30 BHEERN CCNc1c(C#N)cnc2c1cccc2C(C)C ZINC000050842704 170170330 /nfs/dbraw/zinc/17/03/30/170170330.db2.gz SEOOJBIJLZBWJN-UHFFFAOYSA-N 0 0 239.322 3.662 10 30 BHEERN CCCC1CCN(c2ccccc2C#N)CC1 ZINC000050906336 132359418 /nfs/dbraw/zinc/35/94/18/132359418.db2.gz HXNZRBRJBYXLSQ-UHFFFAOYSA-N 0 0 228.339 3.575 10 30 BHEERN C#CCC(=O)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000051074320 166112816 /nfs/dbraw/zinc/11/28/16/166112816.db2.gz XCKDJTQFGNHERI-UHFFFAOYSA-N 0 0 242.362 3.736 10 30 BHEERN O=C(c1ccc(Cl)s1)C1=CCCC1 ZINC000051171292 346976255 /nfs/dbraw/zinc/97/62/55/346976255.db2.gz POJBUCKHAAUBAV-UHFFFAOYSA-N 0 0 212.701 3.695 10 30 BHEERN N#Cc1sc(-c2ccc(Cl)s2)cc1N ZINC000051173440 346973966 /nfs/dbraw/zinc/97/39/66/346973966.db2.gz NOVMSUSPPZXLGQ-UHFFFAOYSA-N 0 0 240.740 3.584 10 30 BHEERN Cc1ccc(N(C)CC2(C=O)CCCCC2)cc1 ZINC000051178510 178698403 /nfs/dbraw/zinc/69/84/03/178698403.db2.gz QXTMSBLUSNAKJK-UHFFFAOYSA-N 0 0 245.366 3.581 10 30 BHEERN Cc1ccccc1N(C)CC1(C=O)CCCCC1 ZINC000051178678 179295006 /nfs/dbraw/zinc/29/50/06/179295006.db2.gz LTMQWWDOVZYCOQ-UHFFFAOYSA-N 0 0 245.366 3.581 10 30 BHEERN CCC(C=O)(CC)CN(C)c1ccc(C)cc1C ZINC000051178819 168310924 /nfs/dbraw/zinc/31/09/24/168310924.db2.gz QGRPTMDBPUECTR-UHFFFAOYSA-N 0 0 247.382 3.745 10 30 BHEERN CCC[C@@H](C)CN(CCC#N)c1ccccc1 ZINC000051320440 169357891 /nfs/dbraw/zinc/35/78/91/169357891.db2.gz CNLARFFFUHVRHQ-CQSZACIVSA-N 0 0 230.355 3.843 10 30 BHEERN CCC[C@@H](C)COc1ccc(/C(C)=N/O)cc1 ZINC000051320903 169361639 /nfs/dbraw/zinc/36/16/39/169361639.db2.gz SIKDOAYUDHMEBZ-UAKDJOGKSA-N 0 0 235.327 3.700 10 30 BHEERN CCC[C@@H](C)COc1cccc(/C(C)=N/O)c1 ZINC000051320918 169361703 /nfs/dbraw/zinc/36/17/03/169361703.db2.gz JRVXFOFQYXSMAZ-UAKDJOGKSA-N 0 0 235.327 3.700 10 30 BHEERN Cc1ccc(C#N)c(NC2CCCCC2)c1 ZINC000051578608 178363549 /nfs/dbraw/zinc/36/35/49/178363549.db2.gz VRJFFJPASGZDIJ-UHFFFAOYSA-N 0 0 214.312 3.611 10 30 BHEERN Cc1ccc(C#N)c(NCc2ccc(F)cc2)c1 ZINC000051578786 178364437 /nfs/dbraw/zinc/36/44/37/178364437.db2.gz PPKRZZZPEJUCRQ-UHFFFAOYSA-N 0 0 240.281 3.618 10 30 BHEERN Cc1ccc(C#N)c(NC2CCC(C)CC2)c1 ZINC000051578852 178363554 /nfs/dbraw/zinc/36/35/54/178363554.db2.gz CHJTZQAZIXLGLH-UHFFFAOYSA-N 0 0 228.339 3.857 10 30 BHEERN Cc1ccc(C#N)c(N[C@@H](C)c2ccco2)c1 ZINC000051579003 178365662 /nfs/dbraw/zinc/36/56/62/178365662.db2.gz MWIDSHRQJGUCMM-NSHDSACASA-N 0 0 226.279 3.633 10 30 BHEERN Cc1ccc(C#N)c(N[C@H](C)c2ccco2)c1 ZINC000051579004 178365439 /nfs/dbraw/zinc/36/54/39/178365439.db2.gz MWIDSHRQJGUCMM-LLVKDONJSA-N 0 0 226.279 3.633 10 30 BHEERN Cc1ccc(C#N)c(NCCC2CCCC2)c1 ZINC000051579196 178364180 /nfs/dbraw/zinc/36/41/80/178364180.db2.gz QDSUDJYTJFRDRP-UHFFFAOYSA-N 0 0 228.339 3.859 10 30 BHEERN Cc1ccc(C#N)c(N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000051580251 178365442 /nfs/dbraw/zinc/36/54/42/178365442.db2.gz HBFGLICUTGQRJJ-NVXWUHKLSA-N 0 0 248.329 3.835 10 30 BHEERN Cc1ccc(C#N)c(N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000051580253 178365778 /nfs/dbraw/zinc/36/57/78/178365778.db2.gz HBFGLICUTGQRJJ-WBVHZDCISA-N 0 0 248.329 3.835 10 30 BHEERN Cc1ccc(C#N)c(N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000051580254 178365427 /nfs/dbraw/zinc/36/54/27/178365427.db2.gz HBFGLICUTGQRJJ-DOTOQJQBSA-N 0 0 248.329 3.835 10 30 BHEERN Cc1ccc(C#N)c(N[C@H]2C[C@H]2c2ccccc2)c1 ZINC000051580256 178365855 /nfs/dbraw/zinc/36/58/55/178365855.db2.gz HBFGLICUTGQRJJ-RDJZCZTQSA-N 0 0 248.329 3.835 10 30 BHEERN Cc1ccc(C#N)c(Oc2cccc(N)c2C)c1 ZINC000051580736 178366748 /nfs/dbraw/zinc/36/67/48/178366748.db2.gz HRODJGFZCNKXII-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN Cc1ccc(C#N)c(Oc2cc(N)ccc2C)c1 ZINC000051580744 178366470 /nfs/dbraw/zinc/36/64/70/178366470.db2.gz WHNBIDOWTFAYKJ-UHFFFAOYSA-N 0 0 238.290 3.550 10 30 BHEERN COc1ccc(Nc2cc(C)ccc2C#N)cc1 ZINC000051596944 175155996 /nfs/dbraw/zinc/15/59/96/175155996.db2.gz BVAACJDNDYMRBR-UHFFFAOYSA-N 0 0 238.290 3.619 10 30 BHEERN Cc1ccc(C#N)c(Nc2cccc(F)c2)c1 ZINC000051597280 178365833 /nfs/dbraw/zinc/36/58/33/178365833.db2.gz KGSDLRBJUUNNLQ-UHFFFAOYSA-N 0 0 226.254 3.749 10 30 BHEERN COc1cccc(Nc2cc(C)ccc2C#N)c1 ZINC000051597355 175280655 /nfs/dbraw/zinc/28/06/55/175280655.db2.gz QMPYPCSBZQYRGU-UHFFFAOYSA-N 0 0 238.290 3.619 10 30 BHEERN Cc1cccc(Nc2cc(C)ccc2C#N)c1 ZINC000051597380 179159495 /nfs/dbraw/zinc/15/94/95/179159495.db2.gz QYHXFHFAFKAWMR-UHFFFAOYSA-N 0 0 222.291 3.919 10 30 BHEERN Cc1ccc(C#N)c(N2CCCCCCC2)c1 ZINC000051597497 178362723 /nfs/dbraw/zinc/36/27/23/178362723.db2.gz FFQBNDUQUGWUKW-UHFFFAOYSA-N 0 0 228.339 3.637 10 30 BHEERN Cc1ccc(C#N)c(Nc2cccc(F)c2F)c1 ZINC000051597873 178365967 /nfs/dbraw/zinc/36/59/67/178365967.db2.gz ARLLAVZZYGZMMX-UHFFFAOYSA-N 0 0 244.244 3.889 10 30 BHEERN Cc1nc(Nc2cc(C)ccc2C#N)sc1C ZINC000051598058 178365304 /nfs/dbraw/zinc/36/53/04/178365304.db2.gz QUCRQKNZDFGAQK-UHFFFAOYSA-N 0 0 243.335 3.684 10 30 BHEERN Cc1ccc(C#N)c(N(C)[C@@H](C)CC(C)C)c1 ZINC000051598166 178362963 /nfs/dbraw/zinc/36/29/63/178362963.db2.gz GYDNTBMVCFQQNR-ZDUSSCGKSA-N 0 0 230.355 3.738 10 30 BHEERN Cc1ccc(C#N)c(N(C)[C@H](C)CC(C)C)c1 ZINC000051598168 178363489 /nfs/dbraw/zinc/36/34/89/178363489.db2.gz GYDNTBMVCFQQNR-CYBMUJFWSA-N 0 0 230.355 3.738 10 30 BHEERN Cc1ccc(C#N)c(N(C)c2ccc(F)cc2)c1 ZINC000051598246 178363164 /nfs/dbraw/zinc/36/31/64/178363164.db2.gz ZQTGQUZBVPOHEL-UHFFFAOYSA-N 0 0 240.281 3.774 10 30 BHEERN Cc1ccc(C#N)c(N(C)c2ccccc2C)c1 ZINC000051598253 178363608 /nfs/dbraw/zinc/36/36/08/178363608.db2.gz VXKXOQBGZIXTPF-UHFFFAOYSA-N 0 0 236.318 3.943 10 30 BHEERN Cc1ccc(C#N)c(N(C)c2cccc(F)c2)c1 ZINC000051598260 178363395 /nfs/dbraw/zinc/36/33/95/178363395.db2.gz DUOCXNVZILNTAD-UHFFFAOYSA-N 0 0 240.281 3.774 10 30 BHEERN Cc1ccc(C#N)c(OC2CCCCC2)c1 ZINC000051598305 178366073 /nfs/dbraw/zinc/36/60/73/178366073.db2.gz BAPOKSUHUVIHOH-UHFFFAOYSA-N 0 0 215.296 3.578 10 30 BHEERN Cc1ccc(C#N)c(O[C@@H]2CCCC[C@@H]2C)c1 ZINC000051598318 178365430 /nfs/dbraw/zinc/36/54/30/178365430.db2.gz SUMNWABMGDFRQN-GXTWGEPZSA-N 0 0 229.323 3.824 10 30 BHEERN Cc1ccc(C#N)c(O[C@H]2CCCC[C@@H]2C)c1 ZINC000051598320 178366237 /nfs/dbraw/zinc/36/62/37/178366237.db2.gz SUMNWABMGDFRQN-JSGCOSHPSA-N 0 0 229.323 3.824 10 30 BHEERN Cc1ccc(C#N)c(O[C@@H]2CCCC[C@H]2C)c1 ZINC000051598322 178365285 /nfs/dbraw/zinc/36/52/85/178365285.db2.gz SUMNWABMGDFRQN-TZMCWYRMSA-N 0 0 229.323 3.824 10 30 BHEERN Cc1ccc(C#N)c(O[C@H]2CCCC[C@H]2C)c1 ZINC000051598323 178366219 /nfs/dbraw/zinc/36/62/19/178366219.db2.gz SUMNWABMGDFRQN-OCCSQVGLSA-N 0 0 229.323 3.824 10 30 BHEERN Cc1ccc(Oc2cc(C)ccc2C#N)cc1 ZINC000051598338 178819532 /nfs/dbraw/zinc/81/95/32/178819532.db2.gz AMWYJRPYZZPZQA-UHFFFAOYSA-N 0 0 223.275 3.967 10 30 BHEERN Cc1ccc(C#N)c(O[C@@H](C)CC(C)C)c1 ZINC000051598345 178365288 /nfs/dbraw/zinc/36/52/88/178365288.db2.gz GYWDYTIQUKBDHE-LBPRGKRZSA-N 0 0 217.312 3.680 10 30 BHEERN Cc1ccc(C#N)c(O[C@H](C)CC(C)C)c1 ZINC000051598347 178365446 /nfs/dbraw/zinc/36/54/46/178365446.db2.gz GYWDYTIQUKBDHE-GFCCVEGCSA-N 0 0 217.312 3.680 10 30 BHEERN Cc1ccc(C#N)c(Oc2ccc(CC#N)cc2)c1 ZINC000051598369 178366440 /nfs/dbraw/zinc/36/64/40/178366440.db2.gz VRDMFXRDOGJSOG-UHFFFAOYSA-N 0 0 248.285 3.725 10 30 BHEERN Cc1ccc(C#N)c(Oc2ccc(F)cc2)c1 ZINC000051598382 178366753 /nfs/dbraw/zinc/36/67/53/178366753.db2.gz FVQMDTBSUNZQPO-UHFFFAOYSA-N 0 0 227.238 3.798 10 30 BHEERN Cc1ccc(C#N)c(Oc2cccc(F)c2)c1 ZINC000051598390 178366738 /nfs/dbraw/zinc/36/67/38/178366738.db2.gz JSONPLNPODNANJ-UHFFFAOYSA-N 0 0 227.238 3.798 10 30 BHEERN Cc1ccc(C#N)c(OC/C=C/c2ccccc2)c1 ZINC000051598433 178365667 /nfs/dbraw/zinc/36/56/67/178365667.db2.gz BKELVKGNTBBMNU-VMPITWQZSA-N 0 0 249.313 3.959 10 30 BHEERN Cc1ccc(C#N)c(SC(C)(C)C)c1 ZINC000051598582 349957320 /nfs/dbraw/zinc/95/73/20/349957320.db2.gz XOYPIPNCEDWXOV-UHFFFAOYSA-N 0 0 205.326 3.757 10 30 BHEERN Cc1ccc(C#N)c(SCc2ccco2)c1 ZINC000051598588 178366420 /nfs/dbraw/zinc/36/64/20/178366420.db2.gz IVMRFAKXDSPMSJ-UHFFFAOYSA-N 0 0 229.304 3.752 10 30 BHEERN N#Cc1ccccc1Oc1cc(Cl)ccc1N ZINC000051609603 181150305 /nfs/dbraw/zinc/15/03/05/181150305.db2.gz KVLFOTQFFJJCIL-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN CC[C@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000051628738 387800335 /nfs/dbraw/zinc/80/03/35/387800335.db2.gz KTIGYUGRZLWCDS-AWEZNQCLSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000051628740 358756886 /nfs/dbraw/zinc/75/68/86/358756886.db2.gz KTIGYUGRZLWCDS-CQSZACIVSA-N 0 0 237.306 3.516 10 30 BHEERN N#Cc1cc(NC2CCCCCC2)ccc1F ZINC000051635111 181091095 /nfs/dbraw/zinc/09/10/95/181091095.db2.gz IHAWHONAHSGOLH-UHFFFAOYSA-N 0 0 232.302 3.832 10 30 BHEERN C[C@@H]1CCCC[C@@H]1Nc1ccc(F)c(C#N)c1 ZINC000051635148 176081945 /nfs/dbraw/zinc/08/19/45/176081945.db2.gz NTEUMFPGRWBVQP-YGRLFVJLSA-N 0 0 232.302 3.688 10 30 BHEERN C[C@H]1CCCC[C@@H]1Nc1ccc(F)c(C#N)c1 ZINC000051635149 177083301 /nfs/dbraw/zinc/08/33/01/177083301.db2.gz NTEUMFPGRWBVQP-HZMBPMFUSA-N 0 0 232.302 3.688 10 30 BHEERN C[C@@H]1CCCC[C@H]1Nc1ccc(F)c(C#N)c1 ZINC000051635151 176089120 /nfs/dbraw/zinc/08/91/20/176089120.db2.gz NTEUMFPGRWBVQP-QMTHXVAHSA-N 0 0 232.302 3.688 10 30 BHEERN C[C@H]1CCCC[C@H]1Nc1ccc(F)c(C#N)c1 ZINC000051635153 177089405 /nfs/dbraw/zinc/08/94/05/177089405.db2.gz NTEUMFPGRWBVQP-IINYFYTJSA-N 0 0 232.302 3.688 10 30 BHEERN CCC(CC)CNc1ccc(F)c(C#N)c1 ZINC000051635208 168364337 /nfs/dbraw/zinc/36/43/37/168364337.db2.gz MRROGXGILQJWHI-UHFFFAOYSA-N 0 0 220.291 3.545 10 30 BHEERN N#Cc1cc(NCC2CCCCC2)ccc1F ZINC000051635210 187610359 /nfs/dbraw/zinc/61/03/59/187610359.db2.gz VJHXTDQJLRMMSB-UHFFFAOYSA-N 0 0 232.302 3.690 10 30 BHEERN CC(C)C[C@@H](C)Nc1ccc(F)c(C#N)c1 ZINC000051635366 322851202 /nfs/dbraw/zinc/85/12/02/322851202.db2.gz GJIRTCGYSABPCN-SNVBAGLBSA-N 0 0 220.291 3.544 10 30 BHEERN CC(C)C[C@H](C)Nc1ccc(F)c(C#N)c1 ZINC000051635367 322850980 /nfs/dbraw/zinc/85/09/80/322850980.db2.gz GJIRTCGYSABPCN-JTQLQIEISA-N 0 0 220.291 3.544 10 30 BHEERN C[C@@H](Nc1ccc(F)c(C#N)c1)c1ccsc1 ZINC000051635557 175930877 /nfs/dbraw/zinc/93/08/77/175930877.db2.gz PXKBRXSYKATCBF-SECBINFHSA-N 0 0 246.310 3.932 10 30 BHEERN CCC[C@@H](C)CNc1ccc(F)c(C#N)c1 ZINC000051635621 169361068 /nfs/dbraw/zinc/36/10/68/169361068.db2.gz AVMVDMRSTHMGQK-SNVBAGLBSA-N 0 0 220.291 3.545 10 30 BHEERN CCC[C@H](C)CNc1ccc(F)c(C#N)c1 ZINC000051635623 169483531 /nfs/dbraw/zinc/48/35/31/169483531.db2.gz AVMVDMRSTHMGQK-JTQLQIEISA-N 0 0 220.291 3.545 10 30 BHEERN CC#CCNc1ccc(Oc2ccccc2)cc1 ZINC000051662857 188046059 /nfs/dbraw/zinc/04/60/59/188046059.db2.gz OFTWDOQLQASRED-UHFFFAOYSA-N 0 0 237.302 3.914 10 30 BHEERN CC#CCC(=O)Cc1ccc(Cl)cc1Cl ZINC000051664566 350021685 /nfs/dbraw/zinc/02/16/85/350021685.db2.gz GJBZTBYNKDGPAM-UHFFFAOYSA-N 0 0 241.117 3.518 10 30 BHEERN CC#CCC(=O)Cc1c(Cl)cccc1Cl ZINC000051664628 350021843 /nfs/dbraw/zinc/02/18/43/350021843.db2.gz GMDVMPMSNYMJPZ-UHFFFAOYSA-N 0 0 241.117 3.518 10 30 BHEERN CC#CCC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000051664641 350021977 /nfs/dbraw/zinc/02/19/77/350021977.db2.gz QZHCKTQXKIIOLZ-UHFFFAOYSA-N 0 0 241.117 3.518 10 30 BHEERN C=C(C)CNc1ccc(F)cc1Br ZINC000051753263 350092738 /nfs/dbraw/zinc/09/27/38/350092738.db2.gz MSJYBDNHFCQRND-UHFFFAOYSA-N 0 0 244.107 3.576 10 30 BHEERN C=C(C)CNc1cc(Br)ccc1F ZINC000051753299 350092428 /nfs/dbraw/zinc/09/24/28/350092428.db2.gz PXIYPRMISPLWLJ-UHFFFAOYSA-N 0 0 244.107 3.576 10 30 BHEERN C=C(Br)CNc1c(C)cccc1C ZINC000051753759 350093635 /nfs/dbraw/zinc/09/36/35/350093635.db2.gz ORUHNBFATTZZES-UHFFFAOYSA-N 0 0 240.144 3.624 10 30 BHEERN C#Cc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000051754021 166223491 /nfs/dbraw/zinc/22/34/91/166223491.db2.gz SFOLMWOBFLLQLH-UHFFFAOYSA-N 0 0 246.313 3.761 10 30 BHEERN CC[C@H](C)Oc1cccc(NCCCCC#N)c1 ZINC000051780525 171356244 /nfs/dbraw/zinc/35/62/44/171356244.db2.gz RGBJINYDWZISIV-ZDUSSCGKSA-N 0 0 246.354 3.970 10 30 BHEERN CCCOc1ccc2ncc(C#N)c(Cl)c2c1 ZINC000051786397 169324244 /nfs/dbraw/zinc/32/42/44/169324244.db2.gz FNAYQPWTAWBFFX-UHFFFAOYSA-N 0 0 246.697 3.549 10 30 BHEERN O=C(CCC#Cc1ccccc1)c1ccccc1 ZINC000051814628 181896870 /nfs/dbraw/zinc/89/68/70/181896870.db2.gz JRGWTGSUFVGGLR-UHFFFAOYSA-N 0 0 234.298 3.701 10 30 BHEERN CC[C@H]1CCC(=O)[C@@H](CC#Cc2ccccc2)C1 ZINC000051814656 187357970 /nfs/dbraw/zinc/35/79/70/187357970.db2.gz UZUJBQQQUPESPO-HOCLYGCPSA-N 0 0 240.346 3.824 10 30 BHEERN CCCCCC/C=C/CBr ZINC000051943828 343630324 /nfs/dbraw/zinc/63/03/24/343630324.db2.gz LEFZUVORTWHIMT-BQYQJAHWSA-N 0 0 205.139 3.908 10 30 BHEERN C=CCNC1(C#N)CCC(C(C)(C)CC)CC1 ZINC000051960102 166397504 /nfs/dbraw/zinc/39/75/04/166397504.db2.gz ITEFQRCIDLBJLK-UHFFFAOYSA-N 0 0 234.387 3.651 10 30 BHEERN Cc1ccccc1CCC(=O)[C@H](C#N)CC(C)C ZINC000051985383 179262433 /nfs/dbraw/zinc/26/24/33/179262433.db2.gz YVZKPJRXMJBXNS-HNNXBMFYSA-N 0 0 243.350 3.683 10 30 BHEERN Cc1ccccc1CCC(=O)[C@@H](C#N)CC(C)C ZINC000051985384 179262465 /nfs/dbraw/zinc/26/24/65/179262465.db2.gz YVZKPJRXMJBXNS-OAHLLOKOSA-N 0 0 243.350 3.683 10 30 BHEERN C=CCc1cc(C(C)(C)CC)ccc1O ZINC000052064449 571770166 /nfs/dbraw/zinc/77/01/66/571770166.db2.gz DFAHCHKNTOVDQQ-UHFFFAOYSA-N 0 0 204.313 3.808 10 30 endogenous,in-man BHEERN C=CCc1cc(Oc2ccccc2)ccc1O ZINC000052064451 386873669 /nfs/dbraw/zinc/87/36/69/386873669.db2.gz GWGRYISDTOTBAH-UHFFFAOYSA-N 0 0 226.275 3.913 10 30 BHEERN C=CCc1cc(OCc2ccccc2)ccc1O ZINC000052064453 519133642 /nfs/dbraw/zinc/13/36/42/519133642.db2.gz OTDIEZPDMZBEEF-UHFFFAOYSA-N 0 0 240.302 3.700 10 30 BHEERN C=CCc1cc(Cl)cc(Br)c1O ZINC000052064462 259372693 /nfs/dbraw/zinc/37/26/93/259372693.db2.gz HMIGMHNBRNVRGO-UHFFFAOYSA-N 0 0 247.519 3.537 10 30 BHEERN N#Cc1oc2c(cc(F)cc2Cl)c1C1CC1 ZINC000052068705 181177258 /nfs/dbraw/zinc/17/72/58/181177258.db2.gz NYEZCWIMAJOTOF-UHFFFAOYSA-N 0 0 235.645 3.974 10 30 BHEERN Cc1c(C#N)oc2c1cc(Cl)cc2C ZINC000052068729 350901851 /nfs/dbraw/zinc/90/18/51/350901851.db2.gz ASMKNTKPAVRIBY-UHFFFAOYSA-N 0 0 205.644 3.575 10 30 BHEERN CC(C)Cc1c(C#N)oc2c1cc(F)cc2F ZINC000052068740 187610370 /nfs/dbraw/zinc/61/03/70/187610370.db2.gz PCKDIIIDBFTHBY-UHFFFAOYSA-N 0 0 235.233 3.781 10 30 BHEERN Cc1c(C#N)oc2cc(C)c(Cl)c(C)c12 ZINC000052068791 178307329 /nfs/dbraw/zinc/30/73/29/178307329.db2.gz RMSZXOBHYLHQKI-UHFFFAOYSA-N 0 0 219.671 3.883 10 30 BHEERN N#Cc1cc2cc(-c3ccccc3)ccc2o1 ZINC000052068809 181094131 /nfs/dbraw/zinc/09/41/31/181094131.db2.gz JTOZLWVFGMCAEL-UHFFFAOYSA-N 0 0 219.243 3.971 10 30 BHEERN N#Cc1cc2cc(Cl)cc(Cl)c2o1 ZINC000052068819 350901767 /nfs/dbraw/zinc/90/17/67/350901767.db2.gz NQZOQGXERGJUEG-UHFFFAOYSA-N 0 0 212.035 3.611 10 30 BHEERN Cc1cc2oc(C#N)cc2c(C)c1Cl ZINC000052068828 350901825 /nfs/dbraw/zinc/90/18/25/350901825.db2.gz MFGCRWIFOUKBPI-UHFFFAOYSA-N 0 0 205.644 3.575 10 30 BHEERN C=C[C@H](C)Sc1ccc(Cl)cc1N ZINC000052142496 350955158 /nfs/dbraw/zinc/95/51/58/350955158.db2.gz GIEHITBRXMCCCG-ZETCQYMHSA-N 0 0 213.733 3.589 10 30 BHEERN C=C[C@@H](C)Sc1ccc(Cl)cc1N ZINC000052142499 350955239 /nfs/dbraw/zinc/95/52/39/350955239.db2.gz GIEHITBRXMCCCG-SSDOTTSWSA-N 0 0 213.733 3.589 10 30 BHEERN C=C[C@H](C)Sc1ccc(N)cc1Cl ZINC000052142554 350955731 /nfs/dbraw/zinc/95/57/31/350955731.db2.gz LUSASNKQKDLBCB-ZETCQYMHSA-N 0 0 213.733 3.589 10 30 BHEERN C=C[C@@H](C)Sc1ccc(N)cc1Cl ZINC000052142555 350955355 /nfs/dbraw/zinc/95/53/55/350955355.db2.gz LUSASNKQKDLBCB-SSDOTTSWSA-N 0 0 213.733 3.589 10 30 BHEERN C=C[C@H](C)[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1O ZINC000052144712 187870613 /nfs/dbraw/zinc/87/06/13/187870613.db2.gz CRGDENUYKMBHGM-UKMLZYKCSA-N 0 0 230.351 3.753 10 30 BHEERN Cc1ccc(C#N)c(OCC2CCCCC2)c1 ZINC000052153946 178365658 /nfs/dbraw/zinc/36/56/58/178365658.db2.gz ZCKGEDIAAOGNTI-UHFFFAOYSA-N 0 0 229.323 3.826 10 30 BHEERN N#Cc1ccc(COCC2CCCCC2)cc1 ZINC000052154012 181110795 /nfs/dbraw/zinc/11/07/95/181110795.db2.gz VCSLXUAPAKDEMJ-UHFFFAOYSA-N 0 0 229.323 3.655 10 30 BHEERN N#Cc1ccccc1Oc1cc(F)cc(F)c1 ZINC000052215516 181149958 /nfs/dbraw/zinc/14/99/58/181149958.db2.gz VITWWKXLJRVYFX-UHFFFAOYSA-N 0 0 231.201 3.629 10 30 BHEERN Cc1ccc(C#N)c(N[C@@H](C)C2CCCCC2)n1 ZINC000052340922 178364532 /nfs/dbraw/zinc/36/45/32/178364532.db2.gz GNRMVUVPCALOKP-LBPRGKRZSA-N 0 0 243.354 3.642 10 30 BHEERN Cc1ccc(C#N)c(N[C@H](C)C2CCCCC2)n1 ZINC000052340924 178365663 /nfs/dbraw/zinc/36/56/63/178365663.db2.gz GNRMVUVPCALOKP-GFCCVEGCSA-N 0 0 243.354 3.642 10 30 BHEERN N#Cc1ccc(NCc2c[nH]c3ccccc23)cc1 ZINC000052684491 181123268 /nfs/dbraw/zinc/12/32/68/181123268.db2.gz YKKMLDZEHBOCLC-UHFFFAOYSA-N 0 0 247.301 3.652 10 30 BHEERN N#Cc1ccccc1NCc1c[nH]c2ccccc12 ZINC000052684509 181148324 /nfs/dbraw/zinc/14/83/24/181148324.db2.gz RFNIKUYHXMGABK-UHFFFAOYSA-N 0 0 247.301 3.652 10 30 BHEERN Cc1ccc(NCCCC#N)cc1C(F)(F)F ZINC000052684735 188126304 /nfs/dbraw/zinc/12/63/04/188126304.db2.gz NXZVGAYDGBRLPO-UHFFFAOYSA-N 0 0 242.244 3.730 10 30 BHEERN Cc1ccc(NC[C@@H](C)C#N)cc1C(F)(F)F ZINC000052684737 178759291 /nfs/dbraw/zinc/75/92/91/178759291.db2.gz ATJNTQMMGYBFEZ-QMMMGPOBSA-N 0 0 242.244 3.585 10 30 BHEERN N#Cc1cc(Cl)ccc1Nc1cccc(N)c1 ZINC000052856603 181087316 /nfs/dbraw/zinc/08/73/16/181087316.db2.gz LIOHSWHAZKJLPZ-UHFFFAOYSA-N 0 0 243.697 3.537 10 30 BHEERN C[C@H](Nc1ccc(Cl)cc1C#N)c1ccco1 ZINC000052857056 188219836 /nfs/dbraw/zinc/21/98/36/188219836.db2.gz BRBCEYHCHGPBRI-VIFPVBQESA-N 0 0 246.697 3.978 10 30 BHEERN C[C@@H](Nc1ccc(Cl)cc1C#N)c1ccco1 ZINC000052857058 387498038 /nfs/dbraw/zinc/49/80/38/387498038.db2.gz BRBCEYHCHGPBRI-SECBINFHSA-N 0 0 246.697 3.978 10 30 BHEERN N#Cc1cc(Cl)ccc1Oc1ccccc1N ZINC000052858387 181087227 /nfs/dbraw/zinc/08/72/27/181087227.db2.gz ZTPUCMHBYDPUJZ-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1cc(Cl)ccc1Oc1cccc(O)c1 ZINC000052859007 181087391 /nfs/dbraw/zinc/08/73/91/181087391.db2.gz AKGACDRSFNWHOY-UHFFFAOYSA-N 0 0 245.665 3.710 10 30 BHEERN N#Cc1cc(Cl)ccc1Nc1ccccc1 ZINC000052859483 181087252 /nfs/dbraw/zinc/08/72/52/181087252.db2.gz KAPDAERKWFKSFX-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN CN(c1ccccc1)c1ccc(Cl)cc1C#N ZINC000052859491 172949953 /nfs/dbraw/zinc/94/99/53/172949953.db2.gz VEQZTLRNQOOKAN-UHFFFAOYSA-N 0 0 242.709 3.980 10 30 BHEERN CCC(CC)N(C)c1ccc(Cl)cc1C#N ZINC000052859609 168369828 /nfs/dbraw/zinc/36/98/28/168369828.db2.gz PTIHQINYVHUPFC-UHFFFAOYSA-N 0 0 236.746 3.836 10 30 BHEERN CC(C)CN(c1ccc(Cl)cc1C#N)C1CC1 ZINC000052859723 166962642 /nfs/dbraw/zinc/96/26/42/166962642.db2.gz FVIJWSDHRGQTLH-UHFFFAOYSA-N 0 0 248.757 3.836 10 30 BHEERN N#Cc1cc(Cl)ccc1OCc1cccs1 ZINC000052859890 181087025 /nfs/dbraw/zinc/08/70/25/181087025.db2.gz RJRJMZKOFFORGM-UHFFFAOYSA-N 0 0 249.722 3.852 10 30 BHEERN N#Cc1cc(Cl)ccc1Sc1ccccn1 ZINC000052859920 181087239 /nfs/dbraw/zinc/08/72/39/181087239.db2.gz XNCNUICDOIGZIS-UHFFFAOYSA-N 0 0 246.722 3.758 10 30 BHEERN CC(C)CSc1ccc(Cl)cc1C#N ZINC000052859941 353118345 /nfs/dbraw/zinc/11/83/45/353118345.db2.gz XQXBUEXYDVXTRC-UHFFFAOYSA-N 0 0 225.744 3.960 10 30 BHEERN N#CC1(c2cccs2)CCCCCC1 ZINC000052901742 353131868 /nfs/dbraw/zinc/13/18/68/353131868.db2.gz FDBMGOFJSMDSGV-UHFFFAOYSA-N 0 0 205.326 3.864 10 30 BHEERN N#Cc1c(Cl)cccc1Nc1ccc(N)cc1 ZINC000052903582 181073570 /nfs/dbraw/zinc/07/35/70/181073570.db2.gz ZMCNGIYAKDDQMI-UHFFFAOYSA-N 0 0 243.697 3.537 10 30 BHEERN N#Cc1c(Cl)cccc1Oc1ccc(N)cc1 ZINC000052905141 181073720 /nfs/dbraw/zinc/07/37/20/181073720.db2.gz WMFCTIFPRQKVFG-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1c(Cl)cccc1Oc1ccc(O)cc1 ZINC000052907080 181073449 /nfs/dbraw/zinc/07/34/49/181073449.db2.gz XCZPWAWYDNAYMW-UHFFFAOYSA-N 0 0 245.665 3.710 10 30 BHEERN N#Cc1c(Cl)cccc1Oc1cccc(O)c1 ZINC000052907119 181074108 /nfs/dbraw/zinc/07/41/08/181074108.db2.gz SQZOHESUKCZXIH-UHFFFAOYSA-N 0 0 245.665 3.710 10 30 BHEERN CC[C@H](C)CN(C)c1cccc(Cl)c1C#N ZINC000052908748 171275820 /nfs/dbraw/zinc/27/58/20/171275820.db2.gz AXMLTBAJVITNEQ-JTQLQIEISA-N 0 0 236.746 3.694 10 30 BHEERN CCC(CC)N(C)c1cccc(Cl)c1C#N ZINC000052908766 168368950 /nfs/dbraw/zinc/36/89/50/168368950.db2.gz SBZQLUALYSARNS-UHFFFAOYSA-N 0 0 236.746 3.836 10 30 BHEERN CC[C@H]1CCCN1c1cccc(Cl)c1C#N ZINC000052908800 171622509 /nfs/dbraw/zinc/62/25/09/171622509.db2.gz HLPYIIOWGRDGCJ-JTQLQIEISA-N 0 0 234.730 3.590 10 30 BHEERN CCCN(CC1CC1)c1cccc(Cl)c1C#N ZINC000052908832 169138725 /nfs/dbraw/zinc/13/87/25/169138725.db2.gz CLEBZJLTYSOQAE-UHFFFAOYSA-N 0 0 248.757 3.838 10 30 BHEERN N#Cc1c(Cl)cccc1OC1CCCCC1 ZINC000052909036 181073903 /nfs/dbraw/zinc/07/39/03/181073903.db2.gz VAITYHSHZUJWBG-UHFFFAOYSA-N 0 0 235.714 3.923 10 30 BHEERN N#Cc1c(Cl)cccc1OCc1cccs1 ZINC000052909161 181073813 /nfs/dbraw/zinc/07/38/13/181073813.db2.gz IMCIMIUZPYAFJR-UHFFFAOYSA-N 0 0 249.722 3.852 10 30 BHEERN CCC1(CC)CSC(Nc2cccc(C)c2)=N1 ZINC000053046172 168463480 /nfs/dbraw/zinc/46/34/80/168463480.db2.gz BOAJCFWATRAWDZ-UHFFFAOYSA-N 0 0 248.395 3.878 10 30 BHEERN c1ccc(NC2=NC3(CS2)CCCCC3)cc1 ZINC000053097498 183387240 /nfs/dbraw/zinc/38/72/40/183387240.db2.gz BNZKHDXWBAGRHV-UHFFFAOYSA-N 0 0 246.379 3.713 10 30 BHEERN CCCc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000053333283 169573625 /nfs/dbraw/zinc/57/36/25/169573625.db2.gz VUMQPRWIENCQME-UHFFFAOYSA-N 0 0 238.290 3.698 10 30 BHEERN C[C@H](Nc1ccc(C#N)cc1)C1CCCC1 ZINC000054077427 387340420 /nfs/dbraw/zinc/34/04/20/387340420.db2.gz WBUACOFCWVWLHN-NSHDSACASA-N 0 0 214.312 3.549 10 30 BHEERN C[C@@H](Nc1ccc(C#N)cc1)C1CCCC1 ZINC000054077428 322855387 /nfs/dbraw/zinc/85/53/87/322855387.db2.gz WBUACOFCWVWLHN-LLVKDONJSA-N 0 0 214.312 3.549 10 30 BHEERN C[C@H](Nc1cccc(F)c1C#N)C1CCCC1 ZINC000054078384 387340513 /nfs/dbraw/zinc/34/05/13/387340513.db2.gz MYRDFNBCTKRRSA-JTQLQIEISA-N 0 0 232.302 3.688 10 30 BHEERN C[C@@H](Nc1cccc(F)c1C#N)C1CCCC1 ZINC000054078386 387340433 /nfs/dbraw/zinc/34/04/33/387340433.db2.gz MYRDFNBCTKRRSA-SNVBAGLBSA-N 0 0 232.302 3.688 10 30 BHEERN CC[C@H](Nc1ccc(C#N)cc1)c1ccco1 ZINC000054082901 171550677 /nfs/dbraw/zinc/55/06/77/171550677.db2.gz FCZLEUNVQGSDKB-ZDUSSCGKSA-N 0 0 226.279 3.714 10 30 BHEERN CC[C@H](Nc1cccc(F)c1C#N)c1ccco1 ZINC000054084102 171551770 /nfs/dbraw/zinc/55/17/70/171551770.db2.gz RSZDUCWOQRZAGQ-LBPRGKRZSA-N 0 0 244.269 3.854 10 30 BHEERN C[C@H](C#N)CSc1cccc(Cl)c1 ZINC000054185522 351918484 /nfs/dbraw/zinc/91/84/84/351918484.db2.gz FAPCFPLDPMUSLC-MRVPVSSYSA-N 0 0 211.717 3.592 10 30 BHEERN C[C@@H](C#N)CSc1cccc(Cl)c1 ZINC000054185523 351918282 /nfs/dbraw/zinc/91/82/82/351918282.db2.gz FAPCFPLDPMUSLC-QMMMGPOBSA-N 0 0 211.717 3.592 10 30 BHEERN CC(C)CN[C@H](C#N)c1csc2ccccc21 ZINC000054464774 167013228 /nfs/dbraw/zinc/01/32/28/167013228.db2.gz WWZJZZBCXZISRR-CYBMUJFWSA-N 0 0 244.363 3.712 10 30 BHEERN CC[C@H](C)CNc1c(C#N)cnc2ccccc21 ZINC000054473769 171288397 /nfs/dbraw/zinc/28/83/97/171288397.db2.gz YDMNAWJNMUBDSW-NSHDSACASA-N 0 0 239.322 3.564 10 30 BHEERN N#Cc1cc2c(nc1Nc1ccccc1)CCCC2 ZINC000054622455 181093702 /nfs/dbraw/zinc/09/37/02/181093702.db2.gz CWSPHVQZSQVTEE-UHFFFAOYSA-N 0 0 249.317 3.576 10 30 BHEERN O=C(C1=CCCC1)[C@H]1CCCc2ccccc21 ZINC000054668565 181856370 /nfs/dbraw/zinc/85/63/70/181856370.db2.gz OJAIORCBMHDNAZ-HNNXBMFYSA-N 0 0 226.319 3.786 10 30 BHEERN C[C@@H]1CCC[C@H](Sc2ccc(N)cc2C#N)C1 ZINC000054689116 176145884 /nfs/dbraw/zinc/14/58/84/176145884.db2.gz LFANPCMEIXCNIE-MFKMUULPSA-N 0 0 246.379 3.811 10 30 BHEERN C[C@H]1CCC[C@H](Sc2ccc(N)cc2C#N)C1 ZINC000054689118 177138890 /nfs/dbraw/zinc/13/88/90/177138890.db2.gz LFANPCMEIXCNIE-GWCFXTLKSA-N 0 0 246.379 3.811 10 30 BHEERN C[C@@H]1CCC[C@@H](Sc2ccc(N)cc2C#N)C1 ZINC000054689120 176125487 /nfs/dbraw/zinc/12/54/87/176125487.db2.gz LFANPCMEIXCNIE-ZWNOBZJWSA-N 0 0 246.379 3.811 10 30 BHEERN C[C@H]1CCC[C@@H](Sc2ccc(N)cc2C#N)C1 ZINC000054689122 177123651 /nfs/dbraw/zinc/12/36/51/177123651.db2.gz LFANPCMEIXCNIE-GXFFZTMASA-N 0 0 246.379 3.811 10 30 BHEERN CCOc1ccc(N[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823079 170553924 /nfs/dbraw/zinc/55/39/24/170553924.db2.gz VVJOBGUBRLHXPE-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN CCOc1ccc(N[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823080 170553535 /nfs/dbraw/zinc/55/35/35/170553535.db2.gz VVJOBGUBRLHXPE-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN CCOc1ccc(N[C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054823081 170554170 /nfs/dbraw/zinc/55/41/70/170554170.db2.gz VVJOBGUBRLHXPE-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN CCOc1ccc(N[C@H]2CCCC[C@H]2C#N)cc1 ZINC000054823082 170553514 /nfs/dbraw/zinc/55/35/14/170553514.db2.gz VVJOBGUBRLHXPE-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN N#C[C@H]1CCCC[C@H]1NCc1ccccc1Cl ZINC000054823481 344457612 /nfs/dbraw/zinc/45/76/12/344457612.db2.gz PNSNYCRWQBTMPP-BXUZGUMPSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@H]1CCCC[C@@H]1NCc1ccccc1Cl ZINC000054823482 344457663 /nfs/dbraw/zinc/45/76/63/344457663.db2.gz PNSNYCRWQBTMPP-RISCZKNCSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@@H]1CCCC[C@H]1NCc1ccccc1Cl ZINC000054823483 344457732 /nfs/dbraw/zinc/45/77/32/344457732.db2.gz PNSNYCRWQBTMPP-SMDDNHRTSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccccc1Cl ZINC000054823484 344457483 /nfs/dbraw/zinc/45/74/83/344457483.db2.gz PNSNYCRWQBTMPP-FZMZJTMJSA-N 0 0 248.757 3.512 10 30 BHEERN CC(C)c1ccc(N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000054823627 167607399 /nfs/dbraw/zinc/60/73/99/167607399.db2.gz XRJCZNVEDXKRJB-DZGCQCFKSA-N 0 0 228.339 3.914 10 30 BHEERN Cc1ccc(N[C@@H]2CCCC[C@@H]2C#N)cc1C ZINC000054823895 178772352 /nfs/dbraw/zinc/77/23/52/178772352.db2.gz MWMNQJLBDXMIQR-UKRRQHHQSA-N 0 0 228.339 3.798 10 30 BHEERN Cc1ccc(N[C@@H]2CCCC[C@H]2C#N)cc1C ZINC000054823897 178772809 /nfs/dbraw/zinc/77/28/09/178772809.db2.gz MWMNQJLBDXMIQR-DZGCQCFKSA-N 0 0 228.339 3.798 10 30 BHEERN Cc1ccc(N[C@H]2CCCC[C@H]2C#N)cc1C ZINC000054823898 178777786 /nfs/dbraw/zinc/77/77/86/178777786.db2.gz MWMNQJLBDXMIQR-ZFWWWQNUSA-N 0 0 228.339 3.798 10 30 BHEERN N#C[C@H]1CCCCC[C@H]1Nc1ccc(F)cc1 ZINC000054824007 181067769 /nfs/dbraw/zinc/06/77/69/181067769.db2.gz HQDRYMADAWBKMM-BXUZGUMPSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@H]1CCCCC[C@@H]1Nc1ccc(F)cc1 ZINC000054824008 181067354 /nfs/dbraw/zinc/06/73/54/181067354.db2.gz HQDRYMADAWBKMM-RISCZKNCSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@@H]1CCCCC[C@H]1Nc1ccc(F)cc1 ZINC000054824009 181058777 /nfs/dbraw/zinc/05/87/77/181058777.db2.gz HQDRYMADAWBKMM-SMDDNHRTSA-N 0 0 232.302 3.710 10 30 BHEERN N#C[C@@H]1CCCCC[C@@H]1Nc1ccc(F)cc1 ZINC000054824010 181058967 /nfs/dbraw/zinc/05/89/67/181058967.db2.gz HQDRYMADAWBKMM-FZMZJTMJSA-N 0 0 232.302 3.710 10 30 BHEERN Cc1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1 ZINC000054824340 178778068 /nfs/dbraw/zinc/77/80/68/178778068.db2.gz RRQFMYRSFDKNQI-ZFWWWQNUSA-N 0 0 228.339 3.879 10 30 BHEERN COc1ccc(N[C@@H]2CCCCC[C@@H]2C#N)cc1 ZINC000054824361 175153805 /nfs/dbraw/zinc/15/38/05/175153805.db2.gz YQBUZPNEOKHFFV-IUODEOHRSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@H]2CCCCC[C@@H]2C#N)cc1 ZINC000054824362 175155375 /nfs/dbraw/zinc/15/53/75/175155375.db2.gz YQBUZPNEOKHFFV-DOMZBBRYSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@@H]2CCCCC[C@H]2C#N)cc1 ZINC000054824363 175153675 /nfs/dbraw/zinc/15/36/75/175153675.db2.gz YQBUZPNEOKHFFV-SWLSCSKDSA-N 0 0 244.338 3.580 10 30 BHEERN COc1ccc(N[C@H]2CCCCC[C@H]2C#N)cc1 ZINC000054824364 175155594 /nfs/dbraw/zinc/15/55/94/175155594.db2.gz YQBUZPNEOKHFFV-WFASDCNBSA-N 0 0 244.338 3.580 10 30 BHEERN N#C[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 ZINC000054824529 181068631 /nfs/dbraw/zinc/06/86/31/181068631.db2.gz YRXCFWPRFMVAEF-TZMCWYRMSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000054824530 181067793 /nfs/dbraw/zinc/06/77/93/181067793.db2.gz YRXCFWPRFMVAEF-OCCSQVGLSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 ZINC000054824531 181059120 /nfs/dbraw/zinc/05/91/20/181059120.db2.gz YRXCFWPRFMVAEF-GXTWGEPZSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000054824532 181058511 /nfs/dbraw/zinc/05/85/11/181058511.db2.gz YRXCFWPRFMVAEF-JSGCOSHPSA-N 0 0 248.757 3.512 10 30 BHEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1cccc(Cl)c1 ZINC000054825993 384742757 /nfs/dbraw/zinc/74/27/57/384742757.db2.gz DXGPMSFQICXYKH-ZKYQVNSYSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1cccc(Cl)c1 ZINC000054825995 384745111 /nfs/dbraw/zinc/74/51/11/384745111.db2.gz DXGPMSFQICXYKH-SUHUHFCYSA-N 0 0 248.757 3.683 10 30 BHEERN CCC1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054826487 384893360 /nfs/dbraw/zinc/89/33/60/384893360.db2.gz HKPYUZBMDLPJQK-HXSCFSKGSA-N 0 0 234.387 3.627 10 30 BHEERN CCC1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054826488 384890875 /nfs/dbraw/zinc/89/08/75/384890875.db2.gz HKPYUZBMDLPJQK-JYVUQVBGSA-N 0 0 234.387 3.627 10 30 BHEERN CCC1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054826489 384892289 /nfs/dbraw/zinc/89/22/89/384892289.db2.gz HKPYUZBMDLPJQK-OOJKYFRXSA-N 0 0 234.387 3.627 10 30 BHEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000054826827 369100593 /nfs/dbraw/zinc/10/05/93/369100593.db2.gz IFAOMWUSAAFWRC-NJZAAPMLSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000054826832 369101254 /nfs/dbraw/zinc/10/12/54/369101254.db2.gz IFAOMWUSAAFWRC-LNSITVRQSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccccc1Cl ZINC000054826896 384741874 /nfs/dbraw/zinc/74/18/74/384741874.db2.gz FPSBZRIOSXABJO-MISXGVKJSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccccc1Cl ZINC000054826901 384744457 /nfs/dbraw/zinc/74/44/57/384744457.db2.gz FPSBZRIOSXABJO-WDMOLILDSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000054826920 384744444 /nfs/dbraw/zinc/74/44/44/384744444.db2.gz STJHGAGFUYQTRG-ZKYQVNSYSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@H]1CCC[C@@H]1C#N)c1ccc(Cl)cc1 ZINC000054826924 322857735 /nfs/dbraw/zinc/85/77/35/322857735.db2.gz STJHGAGFUYQTRG-SUHUHFCYSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccccc1F ZINC000054826984 411528462 /nfs/dbraw/zinc/52/84/62/411528462.db2.gz WJTYVTOQYYNMIA-YWPYICTPSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccccc1F ZINC000054826988 411527992 /nfs/dbraw/zinc/52/79/92/411527992.db2.gz WJTYVTOQYYNMIA-ZOWXZIJZSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1cccc(F)c1 ZINC000054827007 369101287 /nfs/dbraw/zinc/10/12/87/369101287.db2.gz MDQVNCIOYLEHDY-NJZAAPMLSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1cccc(F)c1 ZINC000054827011 369101270 /nfs/dbraw/zinc/10/12/70/369101270.db2.gz MDQVNCIOYLEHDY-LNSITVRQSA-N 0 0 246.329 3.559 10 30 BHEERN Cc1cccc(C)c1N[C@@H]1CCCC[C@@H]1C#N ZINC000054829336 179045229 /nfs/dbraw/zinc/04/52/29/179045229.db2.gz NDEJMGPXNRXCJK-ZIAGYGMSSA-N 0 0 228.339 3.798 10 30 BHEERN Cc1cccc(C)c1N[C@H]1CCCC[C@@H]1C#N ZINC000054829339 179045386 /nfs/dbraw/zinc/04/53/86/179045386.db2.gz NDEJMGPXNRXCJK-KGLIPLIRSA-N 0 0 228.339 3.798 10 30 BHEERN Cc1cccc(C)c1N[C@@H]1CCCC[C@H]1C#N ZINC000054829341 179045140 /nfs/dbraw/zinc/04/51/40/179045140.db2.gz NDEJMGPXNRXCJK-UONOGXRCSA-N 0 0 228.339 3.798 10 30 BHEERN Cc1cccc(C)c1N[C@H]1CCCC[C@H]1C#N ZINC000054829344 179045524 /nfs/dbraw/zinc/04/55/24/179045524.db2.gz NDEJMGPXNRXCJK-KBPBESRZSA-N 0 0 228.339 3.798 10 30 BHEERN N#C[C@H]1CCCC[C@H]1NCc1cccc(Cl)c1 ZINC000054829984 369101598 /nfs/dbraw/zinc/10/15/98/369101598.db2.gz AICVJMCPTKEGNG-TZMCWYRMSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@H]1CCCC[C@@H]1NCc1cccc(Cl)c1 ZINC000054829987 369101578 /nfs/dbraw/zinc/10/15/78/369101578.db2.gz AICVJMCPTKEGNG-OCCSQVGLSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@@H]1CCCC[C@H]1NCc1cccc(Cl)c1 ZINC000054829992 369101804 /nfs/dbraw/zinc/10/18/04/369101804.db2.gz AICVJMCPTKEGNG-GXTWGEPZSA-N 0 0 248.757 3.512 10 30 BHEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccc(Cl)c1 ZINC000054829995 369101715 /nfs/dbraw/zinc/10/17/15/369101715.db2.gz AICVJMCPTKEGNG-JSGCOSHPSA-N 0 0 248.757 3.512 10 30 BHEERN Cc1cccc(CS[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054965702 179103685 /nfs/dbraw/zinc/10/36/85/179103685.db2.gz NRRPAFFFRJJFNQ-ZIAGYGMSSA-N 0 0 231.364 3.921 10 30 BHEERN Cc1cccc(CS[C@H]2CCC[C@@H]2C#N)c1 ZINC000054965703 188483946 /nfs/dbraw/zinc/48/39/46/188483946.db2.gz NRRPAFFFRJJFNQ-KGLIPLIRSA-N 0 0 231.364 3.921 10 30 BHEERN Cc1cccc(CS[C@@H]2CCC[C@H]2C#N)c1 ZINC000054965704 179103561 /nfs/dbraw/zinc/10/35/61/179103561.db2.gz NRRPAFFFRJJFNQ-UONOGXRCSA-N 0 0 231.364 3.921 10 30 BHEERN Cc1cccc(CS[C@H]2CCC[C@H]2C#N)c1 ZINC000054965705 188126706 /nfs/dbraw/zinc/12/67/06/188126706.db2.gz NRRPAFFFRJJFNQ-KBPBESRZSA-N 0 0 231.364 3.921 10 30 BHEERN N#CC[C@@H](Nc1ccccc1F)c1ccccc1 ZINC000055015597 181045155 /nfs/dbraw/zinc/04/51/55/181045155.db2.gz KRRHIXQENWBBPB-CQSZACIVSA-N 0 0 240.281 3.893 10 30 BHEERN N#CC[C@H](Nc1ccccc1F)c1ccccc1 ZINC000055015600 181045879 /nfs/dbraw/zinc/04/58/79/181045879.db2.gz KRRHIXQENWBBPB-AWEZNQCLSA-N 0 0 240.281 3.893 10 30 BHEERN C[C@H](N[C@H](CC#N)c1ccccc1)c1ccco1 ZINC000055016731 176916680 /nfs/dbraw/zinc/91/66/80/176916680.db2.gz NTBIKIBPPZEKFW-GXTWGEPZSA-N 0 0 240.306 3.585 10 30 BHEERN N#CC[C@H](c1ccccc1)n1ncc2ccccc21 ZINC000055021020 181046267 /nfs/dbraw/zinc/04/62/67/181046267.db2.gz CAEOHNAYLDXDIP-MRXNPFEDSA-N 0 0 247.301 3.539 10 30 BHEERN N#CC[C@@H](c1ccccc1)n1ncc2ccccc21 ZINC000055021022 181044949 /nfs/dbraw/zinc/04/49/49/181044949.db2.gz CAEOHNAYLDXDIP-INIZCTEOSA-N 0 0 247.301 3.539 10 30 BHEERN Cc1ccc(C(=O)[C@@H](CC#N)c2ccccc2)cc1 ZINC000055026283 178445225 /nfs/dbraw/zinc/44/52/25/178445225.db2.gz OGFVCTKANMNXQO-INIZCTEOSA-N 0 0 249.313 3.875 10 30 BHEERN CCC(CC)C(=O)[C@@H](CC#N)c1ccccc1 ZINC000055026381 168342215 /nfs/dbraw/zinc/34/22/15/168342215.db2.gz JJSDTZIQPLRLFV-AWEZNQCLSA-N 0 0 229.323 3.689 10 30 BHEERN CCC(CC)C(=O)[C@H](CC#N)c1ccccc1 ZINC000055026383 168342431 /nfs/dbraw/zinc/34/24/31/168342431.db2.gz JJSDTZIQPLRLFV-CQSZACIVSA-N 0 0 229.323 3.689 10 30 BHEERN C[C@]1(c2ccc3c(c2)Cc2ccccc2-3)CO1 ZINC000055032500 369122398 /nfs/dbraw/zinc/12/23/98/369122398.db2.gz JOEUJHPSWOJWDP-MRXNPFEDSA-N 0 0 222.287 3.503 10 30 BHEERN C[C@@]1(c2ccc3c(c2)Cc2ccccc2-3)CO1 ZINC000055032502 369123875 /nfs/dbraw/zinc/12/38/75/369123875.db2.gz JOEUJHPSWOJWDP-INIZCTEOSA-N 0 0 222.287 3.503 10 30 BHEERN C=CCC(=O)N(CCCC)Cc1ccccc1F ZINC000055271283 187707977 /nfs/dbraw/zinc/70/79/77/187707977.db2.gz ZCVABHJSINAGPQ-UHFFFAOYSA-N 0 0 249.329 3.531 10 30 BHEERN Cc1cccc([C@@H](C#N)C(=O)c2ccsc2)c1 ZINC000055332147 179176992 /nfs/dbraw/zinc/17/69/92/179176992.db2.gz VDIYQVQXNLWFEL-CYBMUJFWSA-N 0 0 241.315 3.547 10 30 BHEERN Cc1cccc([C@H](C#N)C(=O)c2ccsc2)c1 ZINC000055332148 179191786 /nfs/dbraw/zinc/19/17/86/179191786.db2.gz VDIYQVQXNLWFEL-ZDUSSCGKSA-N 0 0 241.315 3.547 10 30 BHEERN Cc1cccc([C@@H](C#N)C(=O)c2ccccc2C)c1 ZINC000055332298 179176801 /nfs/dbraw/zinc/17/68/01/179176801.db2.gz CAHFLGYHTMHGLP-MRXNPFEDSA-N 0 0 249.313 3.794 10 30 BHEERN Cc1cccc([C@H](C#N)C(=O)c2ccccc2C)c1 ZINC000055332299 179191873 /nfs/dbraw/zinc/19/18/73/179191873.db2.gz CAHFLGYHTMHGLP-INIZCTEOSA-N 0 0 249.313 3.794 10 30 BHEERN Cc1cccc(C(=O)[C@H](C#N)c2cccc(C)c2)c1 ZINC000055332320 187272128 /nfs/dbraw/zinc/27/21/28/187272128.db2.gz XHCWWCZFFJHUJZ-MRXNPFEDSA-N 0 0 249.313 3.794 10 30 BHEERN CC(C)Oc1ccc(Cl)cc1CS ZINC000057340305 519780107 /nfs/dbraw/zinc/78/01/07/519780107.db2.gz WGORADQYBZGQQK-UHFFFAOYSA-N 0 0 216.733 3.557 10 30 BHEERN CC(C)n1c2ccccc2nc1N=[N+]=[N-] ZINC000057351669 519927169 /nfs/dbraw/zinc/92/71/69/519927169.db2.gz ORFZLVBNRDBJNS-UHFFFAOYSA-N 0 0 201.233 3.559 10 30 BHEERN CCCCn1c2ccccc2nc1N=[N+]=[N-] ZINC000057351673 521375198 /nfs/dbraw/zinc/37/51/98/521375198.db2.gz BSPIEGHQBPSJPL-UHFFFAOYSA-N 0 0 215.260 3.778 10 30 BHEERN SCCCCc1ccc(Cl)s1 ZINC000057494330 188127205 /nfs/dbraw/zinc/12/72/05/188127205.db2.gz ZLKWYBLKWKZDOM-UHFFFAOYSA-N 0 0 206.763 3.654 10 30 BHEERN CC(C)(C#N)Nc1cc(Cl)ccc1Cl ZINC000057518087 166502517 /nfs/dbraw/zinc/50/25/17/166502517.db2.gz VKAPPMBDJWIJMX-UHFFFAOYSA-N 0 0 229.110 3.707 10 30 BHEERN SCc1csc(-c2cccc(Cl)c2)n1 ZINC000057533826 183315862 /nfs/dbraw/zinc/31/58/62/183315862.db2.gz IBTOWDJPCPYYCS-UHFFFAOYSA-N 0 0 241.768 3.893 10 30 BHEERN CC(C)(C#N)CCCCOc1ccccc1 ZINC000057713407 166499717 /nfs/dbraw/zinc/49/97/17/166499717.db2.gz KSDGRHZQTWQFTL-UHFFFAOYSA-N 0 0 217.312 3.785 10 30 BHEERN Cc1ccc(C(C)(C)C)cc1CCS ZINC000057938810 178449430 /nfs/dbraw/zinc/44/94/30/178449430.db2.gz YFXGLIIFTUPLIR-UHFFFAOYSA-N 0 0 208.370 3.765 10 30 BHEERN CC(C)c1ccc(-c2cc(CS)no2)cc1 ZINC000057954004 640652253 /nfs/dbraw/zinc/65/22/53/640652253.db2.gz YQLKUBSLFTUHLT-UHFFFAOYSA-N 0 0 233.336 3.895 10 30 BHEERN CCCc1ccc(-c2cc(CS)no2)cc1 ZINC000057954007 640652520 /nfs/dbraw/zinc/65/25/20/640652520.db2.gz UKRKVRCQPXTDIK-UHFFFAOYSA-N 0 0 233.336 3.724 10 30 BHEERN Cc1cc(C)c(-c2cc(CS)no2)c(C)c1 ZINC000057954011 640652678 /nfs/dbraw/zinc/65/26/78/640652678.db2.gz QVBHWHYWTNHUCK-UHFFFAOYSA-N 0 0 233.336 3.697 10 30 BHEERN CC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000058001998 385653168 /nfs/dbraw/zinc/65/31/68/385653168.db2.gz SSWAKZIHXNIMGR-AATRIKPKSA-N 0 0 202.297 3.586 10 30 BHEERN CC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000058003700 187438062 /nfs/dbraw/zinc/43/80/62/187438062.db2.gz NADXJKDCNCNFHO-AATRIKPKSA-N 0 0 215.079 3.596 10 30 BHEERN N#Cc1cccc(Cn2ccc3ccccc32)c1 ZINC000058014620 181139112 /nfs/dbraw/zinc/13/91/12/181139112.db2.gz XOSOFKUGJVMTFN-UHFFFAOYSA-N 0 0 232.286 3.561 10 30 BHEERN C=C(C)CSc1ccc(C(C)=O)cc1 ZINC000058018289 187320488 /nfs/dbraw/zinc/32/04/88/187320488.db2.gz PVGVZZRRBSJXGO-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN N#CCSCc1ccc(Cl)cc1Cl ZINC000058254549 188301627 /nfs/dbraw/zinc/30/16/27/188301627.db2.gz AOMSIUHOGQMBPR-UHFFFAOYSA-N 0 0 232.135 3.750 10 30 BHEERN N#Cc1cccc(-c2cccc(C(F)(F)F)c2)n1 ZINC000058603063 181133942 /nfs/dbraw/zinc/13/39/42/181133942.db2.gz FYQRYAIHFASLNM-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 in-vivo BHEERN CC1CCC(CNc2ccccc2C#N)CC1 ZINC000058610088 168157233 /nfs/dbraw/zinc/15/72/33/168157233.db2.gz OZVFECIJKMOVMY-UHFFFAOYSA-N 0 0 228.339 3.796 10 30 BHEERN N#Cc1cc(F)ccc1Sc1ccccc1 ZINC000058825006 181087845 /nfs/dbraw/zinc/08/78/45/181087845.db2.gz WBJPTBYSVGNEGB-UHFFFAOYSA-N 0 0 229.279 3.849 10 30 BHEERN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\c1ccco1 ZINC000058836349 385027427 /nfs/dbraw/zinc/02/74/27/385027427.db2.gz QGCRYXSWJNBAJF-GMJFFQQASA-N 0 0 230.307 3.688 10 30 BHEERN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C\c1ccco1 ZINC000058836352 168003756 /nfs/dbraw/zinc/00/37/56/168003756.db2.gz QGCRYXSWJNBAJF-TZIQTHSXSA-N 0 0 230.307 3.688 10 30 BHEERN CCCCCCCc1nc2cc(N)ccc2o1 ZINC000059082575 168659306 /nfs/dbraw/zinc/65/93/06/168659306.db2.gz VTULOMJUGNITBM-UHFFFAOYSA-N 0 0 232.327 3.923 10 30 BHEERN N#Cc1cccc2cc(-c3ccccc3)cnc12 ZINC000059086041 347227336 /nfs/dbraw/zinc/22/73/36/347227336.db2.gz AJCBCIDOEHBOQT-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 BHEERN CCCCCCCNc1ccc(C(=O)OC)cc1 ZINC000059095455 168655582 /nfs/dbraw/zinc/65/55/82/168655582.db2.gz MICADOXPFUHJOL-UHFFFAOYSA-N 0 0 249.354 3.856 10 30 BHEERN CCCCCCCNc1cccc(C(=O)OC)c1 ZINC000059095461 168655485 /nfs/dbraw/zinc/65/54/85/168655485.db2.gz ZLKBIWANQFCEQX-UHFFFAOYSA-N 0 0 249.354 3.856 10 30 BHEERN N#CC1=Nc2ccccc2C=Cc2ccccc21 ZINC000059096198 368334374 /nfs/dbraw/zinc/33/43/74/368334374.db2.gz HPUAVFRUYBZMGF-UHFFFAOYSA-N 0 0 230.270 3.815 10 30 BHEERN Cc1cccc(/N=C(\Cl)C(F)(F)F)c1 ZINC000059102809 191000740 /nfs/dbraw/zinc/00/07/40/191000740.db2.gz KHEZECWTGSRARY-ZSOIEALJSA-N 0 0 221.609 3.826 10 30 BHEERN Cc1cc(C)cc(C#Cc2ccccc2)c1 ZINC000059113840 187834146 /nfs/dbraw/zinc/83/41/46/187834146.db2.gz KDDQGNDTXHTIEZ-UHFFFAOYSA-N 0 0 206.288 3.703 10 30 BHEERN Fc1cc(Cl)cc(C#Cc2ccccc2)c1 ZINC000059126898 372144344 /nfs/dbraw/zinc/14/43/44/372144344.db2.gz YZLYYGIPKKIFQC-UHFFFAOYSA-N 0 0 230.669 3.879 10 30 BHEERN N#CCc1ccc(Br)c2ccccc12 ZINC000059163277 372147301 /nfs/dbraw/zinc/14/73/01/372147301.db2.gz FGLQUWFJASFZEZ-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN Cc1ccc(CN(C)c2cccc(C#N)c2)cc1 ZINC000059183881 178558199 /nfs/dbraw/zinc/55/81/99/178558199.db2.gz ZKEVMZQKOLKLMS-UHFFFAOYSA-N 0 0 236.318 3.503 10 30 BHEERN N#C[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1c1ccccc1 ZINC000059231898 343706729 /nfs/dbraw/zinc/70/67/29/343706729.db2.gz QGYTVVDITJXFMA-PMOUVXMZSA-N 0 0 209.292 3.506 10 30 BHEERN N#C[C@@H]1C2CCC(CC2)[C@H]1c1ccccc1 ZINC000059232011 368333741 /nfs/dbraw/zinc/33/37/41/368333741.db2.gz DFHVDCLXTYMZJS-UZVIJOLCSA-N 0 0 211.308 3.730 10 30 BHEERN Cc1ccc(C#Cc2ccccc2C)cc1 ZINC000059314041 372164714 /nfs/dbraw/zinc/16/47/14/372164714.db2.gz OXINUFJIRUKSGS-UHFFFAOYSA-N 0 0 206.288 3.703 10 30 BHEERN N#Cc1ccc2occ(-c3ccccc3)c2c1 ZINC000059338314 191000453 /nfs/dbraw/zinc/00/04/53/191000453.db2.gz MXKVICFAULCNMI-UHFFFAOYSA-N 0 0 219.243 3.971 10 30 BHEERN CCCCCCCCO[C@@H]1CCCCO1 ZINC000059448415 372186447 /nfs/dbraw/zinc/18/64/47/372186447.db2.gz MYSWYTFAQCZMAE-ZDUSSCGKSA-N 0 0 213.341 3.704 10 30 BHEERN CCCCCCCCO[C@H]1CCCCO1 ZINC000059448416 372186720 /nfs/dbraw/zinc/18/67/20/372186720.db2.gz MYSWYTFAQCZMAE-CYBMUJFWSA-N 0 0 213.341 3.704 10 30 BHEERN N#Cc1c[nH]cc1-c1ccc(Cl)cc1Cl ZINC000059495834 398074891 /nfs/dbraw/zinc/07/48/91/398074891.db2.gz LQQWFTUQARACNM-UHFFFAOYSA-N 0 0 237.089 3.860 10 30 BHEERN CCCCCCC[C@@H](C#N)N1CCCCC1 ZINC000059526466 168656633 /nfs/dbraw/zinc/65/66/33/168656633.db2.gz YODDKQIHQNJTNK-AWEZNQCLSA-N 0 0 222.376 3.725 10 30 BHEERN CCCCCCCCNC(=O)NCCCCC ZINC000059894901 349256108 /nfs/dbraw/zinc/25/61/08/349256108.db2.gz IUHJHNFBCGVCKG-UHFFFAOYSA-N 0 0 242.407 3.836 10 30 BHEERN CCCCCCCCCCNC(=O)NCCC ZINC000059894983 349256119 /nfs/dbraw/zinc/25/61/19/349256119.db2.gz PXPRBHVUPXQBQE-UHFFFAOYSA-N 0 0 242.407 3.836 10 30 BHEERN N#Cc1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 ZINC000060008229 349263404 /nfs/dbraw/zinc/26/34/04/349263404.db2.gz VXLZPJOWJRDYPH-UHFFFAOYSA-N 0 0 245.285 3.615 10 30 BHEERN N#Cc1cccc(-c2c[nH]c(-c3ccccc3)n2)c1 ZINC000060008289 181133676 /nfs/dbraw/zinc/13/36/76/181133676.db2.gz ADXFMWOKDUGCAS-UHFFFAOYSA-N 0 0 245.285 3.615 10 30 BHEERN CC[C@@](C)(C#N)SC(=S)c1ccccc1 ZINC000060011220 323090366 /nfs/dbraw/zinc/09/03/66/323090366.db2.gz PLCFUVHOKGMNCT-LBPRGKRZSA-N 0 0 235.377 3.788 10 30 BHEERN CC[C@](C)(C#N)SC(=S)c1ccccc1 ZINC000060011221 323090395 /nfs/dbraw/zinc/09/03/95/323090395.db2.gz PLCFUVHOKGMNCT-GFCCVEGCSA-N 0 0 235.377 3.788 10 30 BHEERN Cc1ccc(C#Cc2ccc(F)cc2)cc1 ZINC000060023893 342883773 /nfs/dbraw/zinc/88/37/73/342883773.db2.gz JCRMBQAZFAAAPZ-UHFFFAOYSA-N 0 0 210.251 3.534 10 30 BHEERN C[C@H](C=O)Cc1ccc(-c2ccccc2)cc1 ZINC000060025408 342883752 /nfs/dbraw/zinc/88/37/52/342883752.db2.gz CWODALVPMVYELN-ZDUSSCGKSA-N 0 0 224.303 3.731 10 30 BHEERN C[C@@H](C=O)Cc1ccc(-c2ccccc2)cc1 ZINC000060025409 342883760 /nfs/dbraw/zinc/88/37/60/342883760.db2.gz CWODALVPMVYELN-CYBMUJFWSA-N 0 0 224.303 3.731 10 30 BHEERN CC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000060075702 188128465 /nfs/dbraw/zinc/12/84/65/188128465.db2.gz HUFNZQXJULCVSL-NSCUHMNNSA-N 0 0 215.079 3.596 10 30 BHEERN CCC1(C)CCN(c2ccccc2C#N)CC1 ZINC000060941582 168447574 /nfs/dbraw/zinc/44/75/74/168447574.db2.gz MTQBEBHWGBEOMX-UHFFFAOYSA-N 0 0 228.339 3.575 10 30 BHEERN Cc1cc(Nc2ccc(C#N)cc2F)ccc1F ZINC000061119748 178192423 /nfs/dbraw/zinc/19/24/23/178192423.db2.gz KSTULHRHXFUTJF-UHFFFAOYSA-N 0 0 244.244 3.889 10 30 BHEERN N#Cc1ncccc1CSC1CCCCC1 ZINC000061665059 181171017 /nfs/dbraw/zinc/17/10/17/181171017.db2.gz KRKJTJHKRSWWIV-UHFFFAOYSA-N 0 0 232.352 3.519 10 30 BHEERN COc1ccc(C(=O)C2=CCCCC2)cc1F ZINC000061668743 175053116 /nfs/dbraw/zinc/05/31/16/175053116.db2.gz HZYZBRVHYMRQIY-UHFFFAOYSA-N 0 0 234.270 3.517 10 30 BHEERN CC(C)c1ccc(-c2nc(CC#N)cs2)cc1 ZINC000061798187 167581391 /nfs/dbraw/zinc/58/13/91/167581391.db2.gz PTIAWWJZDQCDJO-UHFFFAOYSA-N 0 0 242.347 4.000 10 30 BHEERN CC1CCC(c2nc(CC#N)cs2)CC1 ZINC000061798241 168169808 /nfs/dbraw/zinc/16/98/08/168169808.db2.gz WRIQWWBAUIANFO-UHFFFAOYSA-N 0 0 220.341 3.503 10 30 BHEERN CCC1CCC(CNc2ccnc(C#N)c2)CC1 ZINC000061811752 168516862 /nfs/dbraw/zinc/51/68/62/168516862.db2.gz NIJOXSYKLDINES-UHFFFAOYSA-N 0 0 243.354 3.582 10 30 BHEERN CC[C@H](Nc1ccnc(C#N)c1)c1ccccc1 ZINC000061812207 398298531 /nfs/dbraw/zinc/29/85/31/398298531.db2.gz AKIGXWFZTRCMIW-HNNXBMFYSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@H](Nc1ccnc(C#N)c1)C1CCCCC1 ZINC000061812256 171551729 /nfs/dbraw/zinc/55/17/29/171551729.db2.gz DWPURWGBRIAPHB-HNNXBMFYSA-N 0 0 243.354 3.724 10 30 BHEERN Cc1ccc(Cl)cc1Nc1ccnc(C#N)c1 ZINC000061814890 178664304 /nfs/dbraw/zinc/66/43/04/178664304.db2.gz PGNYAGOYVRCPAF-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN N#Cc1cc(Oc2ccc3ccccc3c2)ccn1 ZINC000061815337 181092348 /nfs/dbraw/zinc/09/23/48/181092348.db2.gz LSWQATLHCOPNFU-UHFFFAOYSA-N 0 0 246.269 3.899 10 30 BHEERN N#Cc1cc(Oc2ccc(F)cc2Cl)ccn1 ZINC000061815418 181092401 /nfs/dbraw/zinc/09/24/01/181092401.db2.gz QBHMLBZKBKZVOS-UHFFFAOYSA-N 0 0 248.644 3.538 10 30 BHEERN Cc1ccc(Oc2ccnc(C#N)c2)c(Cl)c1 ZINC000061815471 178820545 /nfs/dbraw/zinc/82/05/45/178820545.db2.gz KEQVMYQIKYJFEP-UHFFFAOYSA-N 0 0 244.681 3.707 10 30 BHEERN N#Cc1ccc(Nc2ccc(N)cc2)cc1Cl ZINC000061845625 181126897 /nfs/dbraw/zinc/12/68/97/181126897.db2.gz YELMWTGUYHYQCG-UHFFFAOYSA-N 0 0 243.697 3.537 10 30 BHEERN N#Cc1ccc(Nc2ccccc2)cc1Cl ZINC000061850651 369864998 /nfs/dbraw/zinc/86/49/98/369864998.db2.gz XQIGPUKQCSYQPI-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN Cc1csc(Nc2ccc(C#N)c(Cl)c2)n1 ZINC000061850769 179790310 /nfs/dbraw/zinc/79/03/10/179790310.db2.gz SHMQUGBRWATWGW-UHFFFAOYSA-N 0 0 249.726 3.720 10 30 BHEERN CCCN(c1ccc(C#N)c(Cl)c1)C(C)C ZINC000061850820 169182419 /nfs/dbraw/zinc/18/24/19/169182419.db2.gz YFNSVSUECVMPBG-UHFFFAOYSA-N 0 0 236.746 3.836 10 30 BHEERN CC[C@@H](C)N(CC)c1ccc(C#N)c(Cl)c1 ZINC000061850832 369864293 /nfs/dbraw/zinc/86/42/93/369864293.db2.gz RFCXEMXJQZNEQG-SNVBAGLBSA-N 0 0 236.746 3.836 10 30 BHEERN CC[C@H](C)N(CC)c1ccc(C#N)c(Cl)c1 ZINC000061850834 344046508 /nfs/dbraw/zinc/04/65/08/344046508.db2.gz RFCXEMXJQZNEQG-JTQLQIEISA-N 0 0 236.746 3.836 10 30 BHEERN N#Cc1ccc(OC2CCCCC2)cc1Cl ZINC000061851301 188486340 /nfs/dbraw/zinc/48/63/40/188486340.db2.gz SEJWUVRNXWXOEY-UHFFFAOYSA-N 0 0 235.714 3.923 10 30 BHEERN N#Cc1ccc(Sc2ccccn2)cc1Cl ZINC000061855588 187439619 /nfs/dbraw/zinc/43/96/19/187439619.db2.gz MZABQGQUKAODCV-UHFFFAOYSA-N 0 0 246.722 3.758 10 30 BHEERN CCCSc1ccc(C#N)c(Cl)c1 ZINC000061855626 345963331 /nfs/dbraw/zinc/96/33/31/345963331.db2.gz PQBDPRVVMVXQIG-UHFFFAOYSA-N 0 0 211.717 3.714 10 30 BHEERN CC(C)Sc1ccc(C#N)c(Cl)c1 ZINC000061855656 345963392 /nfs/dbraw/zinc/96/33/92/345963392.db2.gz BUHUFRXXPQDMOG-UHFFFAOYSA-N 0 0 211.717 3.712 10 30 BHEERN CC[C@H](C#N)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014188 171219245 /nfs/dbraw/zinc/21/92/45/171219245.db2.gz YGXVCDCWEMTJKZ-GXFFZTMASA-N 0 0 236.746 3.635 10 30 BHEERN C[C@@H](CC#N)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014205 134394334 /nfs/dbraw/zinc/39/43/34/134394334.db2.gz ALLLEJORADJKAI-QWRGUYRKSA-N 0 0 236.746 3.635 10 30 BHEERN C[C@H](CC#N)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062014206 134394412 /nfs/dbraw/zinc/39/44/12/134394412.db2.gz ALLLEJORADJKAI-MNOVXSKESA-N 0 0 236.746 3.635 10 30 BHEERN C[C@H](CC#N)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014254 176018341 /nfs/dbraw/zinc/01/83/41/176018341.db2.gz PVBLNMHWRPDRJC-MNOVXSKESA-N 0 0 236.746 3.635 10 30 BHEERN C[C@H](Cc1ccccc1)Nc1cccc(C#N)c1 ZINC000062169277 176724712 /nfs/dbraw/zinc/72/47/12/176724712.db2.gz WMKGKLONNJXWLS-CYBMUJFWSA-N 0 0 236.318 3.601 10 30 BHEERN O=CCCSc1cc(Cl)ccc1Cl ZINC000062546703 343742594 /nfs/dbraw/zinc/74/25/94/343742594.db2.gz JUPYVMCDLIJQQU-UHFFFAOYSA-N 0 0 235.135 3.675 10 30 BHEERN N#CC[C@H]1CCCC[C@H]1c1cccs1 ZINC000062569473 181046460 /nfs/dbraw/zinc/04/64/60/181046460.db2.gz XUQYSHXMWIOIIO-GHMZBOCLSA-N 0 0 205.326 3.936 10 30 BHEERN N#CC[C@H]1CCCC[C@@H]1c1cccs1 ZINC000062569476 181045779 /nfs/dbraw/zinc/04/57/79/181045779.db2.gz XUQYSHXMWIOIIO-MNOVXSKESA-N 0 0 205.326 3.936 10 30 BHEERN N#CC[C@@H]1CCCC[C@H]1c1cccs1 ZINC000062569478 181044936 /nfs/dbraw/zinc/04/49/36/181044936.db2.gz XUQYSHXMWIOIIO-WDEREUQCSA-N 0 0 205.326 3.936 10 30 BHEERN N#CC[C@@H]1CCCC[C@@H]1c1cccs1 ZINC000062569480 181044883 /nfs/dbraw/zinc/04/48/83/181044883.db2.gz XUQYSHXMWIOIIO-QWRGUYRKSA-N 0 0 205.326 3.936 10 30 BHEERN N#C[C@H]1CCCCC[C@H]1c1cccs1 ZINC000062569483 181067891 /nfs/dbraw/zinc/06/78/91/181067891.db2.gz XJQFHUSBXPFAFA-GHMZBOCLSA-N 0 0 205.326 3.936 10 30 BHEERN N#C[C@H]1CCCCC[C@@H]1c1cccs1 ZINC000062569486 181067738 /nfs/dbraw/zinc/06/77/38/181067738.db2.gz XJQFHUSBXPFAFA-MNOVXSKESA-N 0 0 205.326 3.936 10 30 BHEERN N#C[C@@H]1CCCCC[C@H]1c1cccs1 ZINC000062569488 181058624 /nfs/dbraw/zinc/05/86/24/181058624.db2.gz XJQFHUSBXPFAFA-WDEREUQCSA-N 0 0 205.326 3.936 10 30 BHEERN N#C[C@@H]1CCCCC[C@@H]1c1cccs1 ZINC000062569491 181058865 /nfs/dbraw/zinc/05/88/65/181058865.db2.gz XJQFHUSBXPFAFA-QWRGUYRKSA-N 0 0 205.326 3.936 10 30 BHEERN N#Cc1ccccc1Oc1cccc(F)c1F ZINC000062614762 181150091 /nfs/dbraw/zinc/15/00/91/181150091.db2.gz RLSAKCAAHHFLSP-UHFFFAOYSA-N 0 0 231.201 3.629 10 30 BHEERN Cc1ccc(F)cc1C(=O)[C@@H](C#N)CC(C)C ZINC000062665928 178684897 /nfs/dbraw/zinc/68/48/97/178684897.db2.gz VLIACZOLMIVMCP-LLVKDONJSA-N 0 0 233.286 3.503 10 30 BHEERN N#Cc1ccc(Cl)cc1Oc1ccccc1N ZINC000062785694 181112044 /nfs/dbraw/zinc/11/20/44/181112044.db2.gz YIGOCQMMUZKGLG-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN N#Cc1ccc(Cl)cc1Nc1ccccc1 ZINC000062789790 347022982 /nfs/dbraw/zinc/02/29/82/347022982.db2.gz FIXUYDUXQWDEFL-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN CCCN(c1cc(Cl)ccc1C#N)C(C)C ZINC000062789886 169182931 /nfs/dbraw/zinc/18/29/31/169182931.db2.gz ITCAYOUCCUINCL-UHFFFAOYSA-N 0 0 236.746 3.836 10 30 BHEERN CC(C)[C@@H](C)N(C)c1cc(Cl)ccc1C#N ZINC000062789920 167370648 /nfs/dbraw/zinc/37/06/48/167370648.db2.gz GICZUFCFYZPTCK-SNVBAGLBSA-N 0 0 236.746 3.692 10 30 BHEERN CC(C)[C@H](C)N(C)c1cc(Cl)ccc1C#N ZINC000062789921 187958736 /nfs/dbraw/zinc/95/87/36/187958736.db2.gz GICZUFCFYZPTCK-JTQLQIEISA-N 0 0 236.746 3.692 10 30 BHEERN N#Cc1ccc(Cl)cc1Sc1ccccn1 ZINC000062790277 181112033 /nfs/dbraw/zinc/11/20/33/181112033.db2.gz GAUHUIGIHGPIMR-UHFFFAOYSA-N 0 0 246.722 3.758 10 30 BHEERN CCC(CC)Nc1ccc(C#N)cc1Cl ZINC000062790693 168393574 /nfs/dbraw/zinc/39/35/74/168393574.db2.gz IBPYDZRIEIQSOC-UHFFFAOYSA-N 0 0 222.719 3.812 10 30 BHEERN CC(C)CCNc1ccc(C#N)cc1Cl ZINC000062790762 166868302 /nfs/dbraw/zinc/86/83/02/166868302.db2.gz MVVNUHGQDJNNRV-UHFFFAOYSA-N 0 0 222.719 3.670 10 30 BHEERN CC(C)[C@@H](C)Nc1ccc(C#N)cc1Cl ZINC000062790826 167385499 /nfs/dbraw/zinc/38/54/99/167385499.db2.gz XGTSZHNIQWBBAQ-SECBINFHSA-N 0 0 222.719 3.668 10 30 BHEERN CC(C)[C@H](C)Nc1ccc(C#N)cc1Cl ZINC000062790827 188362096 /nfs/dbraw/zinc/36/20/96/188362096.db2.gz XGTSZHNIQWBBAQ-VIFPVBQESA-N 0 0 222.719 3.668 10 30 BHEERN N#Cc1ccc(NCC2CCCC2)c(Cl)c1 ZINC000062790847 181120297 /nfs/dbraw/zinc/12/02/97/181120297.db2.gz QYCWCHSTIYDMNN-UHFFFAOYSA-N 0 0 234.730 3.814 10 30 BHEERN N#Cc1ccc(NC(C2CC2)C2CC2)c(Cl)c1 ZINC000062791077 181119204 /nfs/dbraw/zinc/11/92/04/181119204.db2.gz PSAWUHHPQPAUSX-UHFFFAOYSA-N 0 0 246.741 3.812 10 30 BHEERN N#Cc1ccc(Nc2ccccc2)c(Cl)c1 ZINC000062793510 188303646 /nfs/dbraw/zinc/30/36/46/188303646.db2.gz GEYAGAVKAUGDRI-UHFFFAOYSA-N 0 0 228.682 3.955 10 30 BHEERN C=C(C)CN(CC)c1ccc(C#N)cc1Cl ZINC000062793611 187872770 /nfs/dbraw/zinc/87/27/70/187872770.db2.gz KULZBAOGJUNINN-UHFFFAOYSA-N 0 0 234.730 3.614 10 30 BHEERN CC[C@@H](C)CN(C)c1ccc(C#N)cc1Cl ZINC000062793646 170699447 /nfs/dbraw/zinc/69/94/47/170699447.db2.gz ZMMOESNNDCEONG-SNVBAGLBSA-N 0 0 236.746 3.694 10 30 BHEERN CC[C@H](C)CN(C)c1ccc(C#N)cc1Cl ZINC000062793647 171275750 /nfs/dbraw/zinc/27/57/50/171275750.db2.gz ZMMOESNNDCEONG-JTQLQIEISA-N 0 0 236.746 3.694 10 30 BHEERN CCC[C@@H](C)N(C)c1ccc(C#N)cc1Cl ZINC000062793675 169366199 /nfs/dbraw/zinc/36/61/99/169366199.db2.gz FIXVUIKZFWWUMP-SNVBAGLBSA-N 0 0 236.746 3.836 10 30 BHEERN CCCN(CC1CC1)c1ccc(C#N)cc1Cl ZINC000062793735 169138085 /nfs/dbraw/zinc/13/80/85/169138085.db2.gz DVJQZARDCHICES-UHFFFAOYSA-N 0 0 248.757 3.838 10 30 BHEERN CC(C)N(CC1CC1)c1ccc(C#N)cc1Cl ZINC000062793791 188303496 /nfs/dbraw/zinc/30/34/96/188303496.db2.gz JROHUTDSYUIWKF-UHFFFAOYSA-N 0 0 248.757 3.836 10 30 BHEERN C[C@@H]1CCN(c2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000062793840 132388389 /nfs/dbraw/zinc/38/83/89/132388389.db2.gz JAUVZQCPGFEYGN-GHMZBOCLSA-N 0 0 248.757 3.836 10 30 BHEERN C[C@@H]1C[C@@H](C)CCN1c1ccc(C#N)cc1Cl ZINC000062793841 132388280 /nfs/dbraw/zinc/38/82/80/132388280.db2.gz JAUVZQCPGFEYGN-WDEREUQCSA-N 0 0 248.757 3.836 10 30 BHEERN N#C[C@H]1CCCC[C@H]1SC1CCCC1 ZINC000062829671 347139463 /nfs/dbraw/zinc/13/94/63/347139463.db2.gz HGLILEJLOIVSER-ZYHUDNBSSA-N 0 0 209.358 3.745 10 30 BHEERN N#C[C@H]1CCCC[C@@H]1SC1CCCC1 ZINC000062829672 347139545 /nfs/dbraw/zinc/13/95/45/347139545.db2.gz HGLILEJLOIVSER-PWSUYJOCSA-N 0 0 209.358 3.745 10 30 BHEERN N#C[C@@H]1CCCC[C@H]1SC1CCCC1 ZINC000062829673 347139623 /nfs/dbraw/zinc/13/96/23/347139623.db2.gz HGLILEJLOIVSER-CMPLNLGQSA-N 0 0 209.358 3.745 10 30 BHEERN N#C[C@@H]1CCCC[C@@H]1SC1CCCC1 ZINC000062829674 347139519 /nfs/dbraw/zinc/13/95/19/347139519.db2.gz HGLILEJLOIVSER-JQWIXIFHSA-N 0 0 209.358 3.745 10 30 BHEERN Cc1ccc(C#N)c(SCC2CCCC2)n1 ZINC000062836020 178366413 /nfs/dbraw/zinc/36/64/13/178366413.db2.gz BPGSSZDLSZPTBQ-UHFFFAOYSA-N 0 0 232.352 3.544 10 30 BHEERN N#C[C@H]1CCCC[C@H]1SCC1CCCC1 ZINC000062836081 181068789 /nfs/dbraw/zinc/06/87/89/181068789.db2.gz PNBXMONGWRVWIU-CHWSQXEVSA-N 0 0 223.385 3.992 10 30 BHEERN N#C[C@H]1CCCC[C@@H]1SCC1CCCC1 ZINC000062836082 181067950 /nfs/dbraw/zinc/06/79/50/181067950.db2.gz PNBXMONGWRVWIU-OLZOCXBDSA-N 0 0 223.385 3.992 10 30 BHEERN N#C[C@@H]1CCCC[C@H]1SCC1CCCC1 ZINC000062836083 181058955 /nfs/dbraw/zinc/05/89/55/181058955.db2.gz PNBXMONGWRVWIU-QWHCGFSZSA-N 0 0 223.385 3.992 10 30 BHEERN N#C[C@@H]1CCCC[C@@H]1SCC1CCCC1 ZINC000062836084 181058882 /nfs/dbraw/zinc/05/88/82/181058882.db2.gz PNBXMONGWRVWIU-STQMWFEESA-N 0 0 223.385 3.992 10 30 BHEERN CCC1(CC)CCN(c2ccccc2C#N)CC1 ZINC000062959408 132388830 /nfs/dbraw/zinc/38/88/30/132388830.db2.gz DANLMCCIUQIPAN-UHFFFAOYSA-N 0 0 242.366 3.965 10 30 BHEERN N#Cc1ccccc1N1CCC2(CCCC2)CC1 ZINC000062959419 132388661 /nfs/dbraw/zinc/38/86/61/132388661.db2.gz ULALRGYOKLYXKI-UHFFFAOYSA-N 0 0 240.350 3.719 10 30 BHEERN CCC(=[NH2+])Nc1c(Cl)ccc(C)c1Cl ZINC000062988429 349868763 /nfs/dbraw/zinc/86/87/63/349868763.db2.gz RVAVCJXZWVGZTQ-UHFFFAOYSA-N 0 0 231.126 3.701 10 30 BHEERN N=C(Nc1cccc(Cl)c1F)c1ccccc1 ZINC000062989459 349503017 /nfs/dbraw/zinc/50/30/17/349503017.db2.gz GCUFWRGWEBTVDL-UHFFFAOYSA-N 0 0 248.688 3.516 10 30 BHEERN N=C(Nc1c(F)cccc1F)C1CCCCC1 ZINC000062989474 181182170 /nfs/dbraw/zinc/18/21/70/181182170.db2.gz SIYMVSXIZUJFBJ-UHFFFAOYSA-N 0 0 238.281 3.534 10 30 BHEERN Cc1ccc(C(=O)C2=CCCC2)cc1Cl ZINC000063021215 350596092 /nfs/dbraw/zinc/59/60/92/350596092.db2.gz MSDUJRIEZJZGJH-UHFFFAOYSA-N 0 0 220.699 3.941 10 30 BHEERN Cc1c(N)c(C#N)sc1-c1ccc(F)c(C)c1 ZINC000063058859 177696568 /nfs/dbraw/zinc/69/65/68/177696568.db2.gz WSCYVDNYSIQQEG-UHFFFAOYSA-N 0 0 246.310 3.625 10 30 BHEERN CC1CCC(C[NH2+][C@H]2CCCCC[C@@H]2C#N)CC1 ZINC000063145388 168156313 /nfs/dbraw/zinc/15/63/13/168156313.db2.gz SKRFWVUMWSHEFX-FJBKBRRZSA-N 0 0 248.414 3.875 10 30 BHEERN CC1CCC(C[NH2+][C@H]2CCCCC[C@H]2C#N)CC1 ZINC000063145392 168157111 /nfs/dbraw/zinc/15/71/11/168157111.db2.gz SKRFWVUMWSHEFX-CKUJCDMFSA-N 0 0 248.414 3.875 10 30 BHEERN O=c1c(/C=N/c2ccccc2)coc2ccccc12 ZINC000064475181 182982566 /nfs/dbraw/zinc/98/25/66/182982566.db2.gz NCOIADJNURDGBZ-LICLKQGHSA-N 0 0 249.269 3.544 10 30 BHEERN N#Cc1cc(-c2ccccc2O)ccc1Cl ZINC000065340051 181081699 /nfs/dbraw/zinc/08/16/99/181081699.db2.gz KDXLQIHJNHKZRS-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1cc(-c2cccc(O)c2)ccc1Cl ZINC000065340052 181080385 /nfs/dbraw/zinc/08/03/85/181080385.db2.gz JJVKETCDSCNRIO-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN Cc1ccc(-c2ccc(Cl)c(C#N)c2)cc1O ZINC000065340472 178324268 /nfs/dbraw/zinc/32/42/68/178324268.db2.gz INXQKSSLRQUNBW-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(O)cc(-c2ccc(Cl)c(C#N)c2)c1 ZINC000065340473 187274217 /nfs/dbraw/zinc/27/42/17/187274217.db2.gz QJXWHLCIKGUIHA-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN N#Cc1cc(-c2ccc(O)c(F)c2)ccc1Cl ZINC000065340999 181080629 /nfs/dbraw/zinc/08/06/29/181080629.db2.gz XBAHNRYLPNRSMH-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1cc(-c2ccc(O)cc2F)ccc1Cl ZINC000065341001 181081005 /nfs/dbraw/zinc/08/10/05/181081005.db2.gz HPGYEVUQLQAAIS-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1cc(-c2cc(O)cc(F)c2)ccc1Cl ZINC000065341002 181080747 /nfs/dbraw/zinc/08/07/47/181080747.db2.gz FEBXUCDHUKTNAV-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN Cc1ccc(-c2ccc(O)c(C#N)c2)c(C)c1 ZINC000065341325 178325280 /nfs/dbraw/zinc/32/52/80/178325280.db2.gz DUGABPJPTKMWAF-UHFFFAOYSA-N 0 0 223.275 3.548 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(O)c2)c(C)c1 ZINC000065341326 178322576 /nfs/dbraw/zinc/32/25/76/178322576.db2.gz ZTAVNGAWJSIARN-UHFFFAOYSA-N 0 0 223.275 3.548 10 30 BHEERN Cc1ccc(-c2cc(O)cc(C#N)c2)c(C)c1 ZINC000065341327 178322179 /nfs/dbraw/zinc/32/21/79/178322179.db2.gz PDTWYJRXVWLUMQ-UHFFFAOYSA-N 0 0 223.275 3.548 10 30 BHEERN N#Cc1cc(-c2ccccc2Cl)ccc1O ZINC000065341385 181082010 /nfs/dbraw/zinc/08/20/10/181082010.db2.gz MGKJJQCLBZAFNG-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1ccc(-c2ccccc2Cl)cc1O ZINC000065341386 181095811 /nfs/dbraw/zinc/09/58/11/181095811.db2.gz GKAOTLFCSJVASD-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1cc(O)cc(-c2ccccc2Cl)c1 ZINC000065341387 181091362 /nfs/dbraw/zinc/09/13/62/181091362.db2.gz ZRUQFBAASVNCMV-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1cc(-c2cccc(Cl)c2)ccc1O ZINC000065341388 181081019 /nfs/dbraw/zinc/08/10/19/181081019.db2.gz BVYLNODPKLYPLH-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1ccc(-c2cccc(Cl)c2)cc1O ZINC000065341389 181095148 /nfs/dbraw/zinc/09/51/48/181095148.db2.gz FSAJZRIXZDSKKG-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1cc(O)cc(-c2cccc(Cl)c2)c1 ZINC000065341390 181091314 /nfs/dbraw/zinc/09/13/14/181091314.db2.gz CCBNMWOJPSGWSL-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1cc(-c2ccc(Cl)cc2)ccc1O ZINC000065341391 181080379 /nfs/dbraw/zinc/08/03/79/181080379.db2.gz LOOZWPKQBJYPNF-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1ccc(-c2ccc(Cl)cc2)cc1O ZINC000065341392 181095510 /nfs/dbraw/zinc/09/55/10/181095510.db2.gz VSFRZKZHZPVUJK-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1cc(O)cc(-c2ccc(Cl)cc2)c1 ZINC000065341393 181091371 /nfs/dbraw/zinc/09/13/71/181091371.db2.gz APLHFAFFPIDTFY-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(O)c2)c(Cl)c1 ZINC000065341479 178323124 /nfs/dbraw/zinc/32/31/24/178323124.db2.gz HMIHNIBTDLFHFU-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1ccc(-c2cc(O)cc(C#N)c2)c(Cl)c1 ZINC000065341480 178321023 /nfs/dbraw/zinc/32/10/23/178321023.db2.gz VEOQBTZUEBWQSK-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1ccc(-c2ccc(O)c(C#N)c2)cc1Cl ZINC000065341484 178325889 /nfs/dbraw/zinc/32/58/89/178325889.db2.gz SWAJQEKFSVUHCV-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1ccc(-c2ccc(C#N)c(O)c2)cc1Cl ZINC000065341485 178323280 /nfs/dbraw/zinc/32/32/80/178323280.db2.gz QUXMASMIFWZDQQ-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1ccc(-c2cc(O)cc(C#N)c2)cc1Cl ZINC000065341486 178321655 /nfs/dbraw/zinc/32/16/55/178321655.db2.gz ILRRZFCBZMLLGV-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(Cl)cc(-c2ccc(O)c(C#N)c2)c1 ZINC000065341487 178063635 /nfs/dbraw/zinc/06/36/35/178063635.db2.gz BMHAKVDQHVZYIX-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(Cl)cc(-c2ccc(C#N)c(O)c2)c1 ZINC000065341488 178063644 /nfs/dbraw/zinc/06/36/44/178063644.db2.gz HSNGFKSVRJPZJW-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(Cl)cc(-c2cc(O)cc(C#N)c2)c1 ZINC000065341489 178062073 /nfs/dbraw/zinc/06/20/73/178062073.db2.gz JWWMYPWCSVTEOG-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(Cl)ccc1-c1ccc(O)c(C#N)c1 ZINC000065341490 178064823 /nfs/dbraw/zinc/06/48/23/178064823.db2.gz YSADIJURYUSWIW-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(Cl)ccc1-c1ccc(C#N)c(O)c1 ZINC000065341491 178064694 /nfs/dbraw/zinc/06/46/94/178064694.db2.gz IKSKYWNRKPLRLC-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN Cc1cc(Cl)ccc1-c1cc(O)cc(C#N)c1 ZINC000065341492 178065197 /nfs/dbraw/zinc/06/51/97/178065197.db2.gz GWUSXAHJJBCLOT-UHFFFAOYSA-N 0 0 243.693 3.893 10 30 BHEERN N#Cc1cc(-c2cc(F)cc(Cl)c2)ccc1O ZINC000065341505 181080367 /nfs/dbraw/zinc/08/03/67/181080367.db2.gz OQMSSUJLPGYCSS-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1ccc(-c2cc(F)cc(Cl)c2)cc1O ZINC000065341506 181095538 /nfs/dbraw/zinc/09/55/38/181095538.db2.gz FAGHGSDKLPYSKI-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1cc(O)cc(-c2cc(F)cc(Cl)c2)c1 ZINC000065341507 181091466 /nfs/dbraw/zinc/09/14/66/181091466.db2.gz XWWGZPYJSNKYKI-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1cc(-c2ccc(F)c(Cl)c2)ccc1O ZINC000065341508 181081162 /nfs/dbraw/zinc/08/11/62/181081162.db2.gz CLBGDLRRLBXPNN-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1ccc(-c2ccc(F)c(Cl)c2)cc1O ZINC000065341509 181095240 /nfs/dbraw/zinc/09/52/40/181095240.db2.gz HEQJRZCORPCQQO-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1cc(O)cc(-c2ccc(F)c(Cl)c2)c1 ZINC000065341510 181091565 /nfs/dbraw/zinc/09/15/65/181091565.db2.gz XZMAJDPTTGRKJL-UHFFFAOYSA-N 0 0 247.656 3.723 10 30 BHEERN N#Cc1ccc(-c2ccc(Cl)c(O)c2)cc1 ZINC000065343076 181095163 /nfs/dbraw/zinc/09/51/63/181095163.db2.gz JLMMEPAGKKZRJI-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1ccc(-c2cc(O)cc(Cl)c2)cc1 ZINC000065343078 181094718 /nfs/dbraw/zinc/09/47/18/181094718.db2.gz QVZIWNWWOZEYEN-UHFFFAOYSA-N 0 0 229.666 3.584 10 30 BHEERN N#Cc1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000066054808 188129747 /nfs/dbraw/zinc/12/97/47/188129747.db2.gz HFIBRMHRYDDOPI-UHFFFAOYSA-N 0 0 246.269 3.880 10 30 BHEERN CCCCCC/C=C/C=C/C(=O)OCC ZINC000066258388 188224412 /nfs/dbraw/zinc/22/44/12/188224412.db2.gz GKZHQLHOAZNYIW-HULFFUFUSA-N 0 0 210.317 3.632 10 30 BHEERN N#Cc1ccc2[nH]c(Cc3ccccc3)cc2c1 ZINC000066347705 181131146 /nfs/dbraw/zinc/13/11/46/181131146.db2.gz VKYBDBGOLWABIR-UHFFFAOYSA-N 0 0 232.286 3.630 10 30 BHEERN C=C(Br)CC1CCCCC1 ZINC000066362099 187363331 /nfs/dbraw/zinc/36/33/31/187363331.db2.gz TYIANRSGVBXVAS-UHFFFAOYSA-N 0 0 203.123 3.865 10 30 BHEERN N#Cc1cc(-c2ccccc2)c2ccccc2n1 ZINC000067172055 181080912 /nfs/dbraw/zinc/08/09/12/181080912.db2.gz SYJXCMHVTIICMK-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 BHEERN CC(C)[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000068769897 388717244 /nfs/dbraw/zinc/71/72/44/388717244.db2.gz NZDMDBRJGQHSPJ-LLVKDONJSA-N 0 0 239.322 3.563 10 30 BHEERN CC(C)[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000068769899 388717281 /nfs/dbraw/zinc/71/72/81/388717281.db2.gz NZDMDBRJGQHSPJ-NSHDSACASA-N 0 0 239.322 3.563 10 30 BHEERN O=C1C=CO[C@H](c2cccc(Cl)c2Cl)C1 ZINC000069850298 373877032 /nfs/dbraw/zinc/87/70/32/373877032.db2.gz ORHPJCARSWBZSO-JTQLQIEISA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@@H](c2cccc(Cl)c2Cl)C1 ZINC000069850299 373876866 /nfs/dbraw/zinc/87/68/66/373876866.db2.gz ORHPJCARSWBZSO-SNVBAGLBSA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000069850450 360702858 /nfs/dbraw/zinc/70/28/58/360702858.db2.gz XESUNPVPVHODAF-NSHDSACASA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@@H](c2ccc(Cl)cc2Cl)C1 ZINC000069850451 360702817 /nfs/dbraw/zinc/70/28/17/360702817.db2.gz XESUNPVPVHODAF-LLVKDONJSA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000069850462 360702841 /nfs/dbraw/zinc/70/28/41/360702841.db2.gz NNBIPRWZTBPJGS-NSHDSACASA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@@H](c2cc(Cl)cc(Cl)c2)C1 ZINC000069850463 360703013 /nfs/dbraw/zinc/70/30/13/360703013.db2.gz NNBIPRWZTBPJGS-LLVKDONJSA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000069850480 360702781 /nfs/dbraw/zinc/70/27/81/360702781.db2.gz WHLWHDZBNNCDDF-NSHDSACASA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000069850481 360703011 /nfs/dbraw/zinc/70/30/11/360703011.db2.gz WHLWHDZBNNCDDF-LLVKDONJSA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@H](c2c(Cl)cccc2Cl)C1 ZINC000069850502 360702986 /nfs/dbraw/zinc/70/29/86/360702986.db2.gz HIBGIMSNLUPIJS-JTQLQIEISA-N 0 0 243.089 3.538 10 30 BHEERN O=C1C=CO[C@@H](c2c(Cl)cccc2Cl)C1 ZINC000069850504 360703000 /nfs/dbraw/zinc/70/30/00/360703000.db2.gz HIBGIMSNLUPIJS-SNVBAGLBSA-N 0 0 243.089 3.538 10 30 BHEERN CC1CC(C#N)(c2ccc(Cl)cc2)C1 ZINC000070068578 361396579 /nfs/dbraw/zinc/39/65/79/361396579.db2.gz QZWUJCYEQJXFMI-UHFFFAOYSA-N 0 0 205.688 3.531 10 30 BHEERN CC1CC(C#N)(c2ccccc2Cl)C1 ZINC000070068586 361398049 /nfs/dbraw/zinc/39/80/49/361398049.db2.gz FWOCRHQAKRBVFX-UHFFFAOYSA-N 0 0 205.688 3.531 10 30 BHEERN N#Cc1ccnc(Oc2ccc(F)c(Cl)c2)c1 ZINC000070168571 181158344 /nfs/dbraw/zinc/15/83/44/181158344.db2.gz WCNNSCUHDMQDRO-UHFFFAOYSA-N 0 0 248.644 3.538 10 30 BHEERN C=CCc1ccc(O)c(CC=C(C)C)c1 ZINC000070455170 560047557 /nfs/dbraw/zinc/04/75/57/560047557.db2.gz ZLTVIWHUNXKVML-UHFFFAOYSA-N 0 0 202.297 3.629 10 30 biogenic,in-vitro BHEERN C=CCc1ccc(O)c(C(C)(C)C=C)c1 ZINC000070455171 560047602 /nfs/dbraw/zinc/04/76/02/560047602.db2.gz QTIAVMHJHYYHCN-UHFFFAOYSA-N 0 0 202.297 3.584 10 30 biogenic,in-vitro BHEERN CCCCCCCCC/C=C/C(=O)OC ZINC000070455489 571780256 /nfs/dbraw/zinc/78/02/56/571780256.db2.gz YWSDDOFJTUOVMX-VAWYXSNFSA-N 0 0 212.333 3.856 10 30 endogenous,in-man BHEERN C[C@H](Nc1ccc(C#N)cc1F)C1CCCC1 ZINC000070543700 325015722 /nfs/dbraw/zinc/01/57/22/325015722.db2.gz GOLQXLBUWCADIK-JTQLQIEISA-N 0 0 232.302 3.688 10 30 BHEERN C[C@@H](Nc1ccc(C#N)cc1F)C1CCCC1 ZINC000070543701 325015724 /nfs/dbraw/zinc/01/57/24/325015724.db2.gz GOLQXLBUWCADIK-SNVBAGLBSA-N 0 0 232.302 3.688 10 30 BHEERN C[C@H](Nc1ccc(F)cc1C#N)C1CCCC1 ZINC000070543702 325015623 /nfs/dbraw/zinc/01/56/23/325015623.db2.gz CXDMFVLJSCIVPT-JTQLQIEISA-N 0 0 232.302 3.688 10 30 BHEERN C[C@@H](Nc1ccc(F)cc1C#N)C1CCCC1 ZINC000070543703 371044478 /nfs/dbraw/zinc/04/44/78/371044478.db2.gz CXDMFVLJSCIVPT-SNVBAGLBSA-N 0 0 232.302 3.688 10 30 BHEERN CC(=O)/C=C/c1csc2ccccc12 ZINC000070586458 361574103 /nfs/dbraw/zinc/57/41/03/361574103.db2.gz BVSIPOAYWAJGGP-VOTSOKGWSA-N 0 0 202.278 3.504 10 30 BHEERN C=CCCC(=O)c1ccc(C(C)C)cc1 ZINC000070593430 361579761 /nfs/dbraw/zinc/57/97/61/361579761.db2.gz KVWLQPRHMMOPMP-UHFFFAOYSA-N 0 0 202.297 3.959 10 30 BHEERN C=CCCC(=O)c1cccc2ccccc21 ZINC000070593551 361579438 /nfs/dbraw/zinc/57/94/38/361579438.db2.gz GNGQOZUSFXINKE-UHFFFAOYSA-N 0 0 210.276 3.989 10 30 BHEERN C=CCCC(=O)c1ccc2ccccc2c1 ZINC000070593552 345790700 /nfs/dbraw/zinc/79/07/00/345790700.db2.gz WIAUUUGTXIPCSX-UHFFFAOYSA-N 0 0 210.276 3.989 10 30 BHEERN C=CCCC(=O)c1ccc(F)cc1Cl ZINC000070593565 361579708 /nfs/dbraw/zinc/57/97/08/361579708.db2.gz XLVAZXSIFMGFSS-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN C=CCCC(=O)c1ccc(Cl)cc1F ZINC000070593581 361579113 /nfs/dbraw/zinc/57/91/13/361579113.db2.gz LKEOEYDZQJIOFX-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN C=CCCC(=O)c1ccc(F)c(Cl)c1 ZINC000070593583 343333925 /nfs/dbraw/zinc/33/39/25/343333925.db2.gz LKLBRUIBXNHPBQ-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN C=CCC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000070593645 361579729 /nfs/dbraw/zinc/57/97/29/361579729.db2.gz SYQZVIXVLGSTNE-NSHDSACASA-N 0 0 230.229 3.705 10 30 BHEERN C=CCC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000070593646 361579731 /nfs/dbraw/zinc/57/97/31/361579731.db2.gz SYQZVIXVLGSTNE-LLVKDONJSA-N 0 0 230.229 3.705 10 30 BHEERN C=CCCC(=O)c1ccc(Br)s1 ZINC000070597571 361583121 /nfs/dbraw/zinc/58/31/21/361583121.db2.gz XKFTWHMLMKMNNN-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN C=CCCC(=O)c1cc(Br)cs1 ZINC000070598641 361580180 /nfs/dbraw/zinc/58/01/80/361580180.db2.gz ZMYKPXYPQBGVLY-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN O=CCCCc1ccc(Cl)c(Cl)c1 ZINC000070738883 182850323 /nfs/dbraw/zinc/85/03/23/182850323.db2.gz NNCQRSFHPGMSBN-UHFFFAOYSA-N 0 0 217.095 3.515 10 30 BHEERN CC[C@@H]1CC[C@H](Nc2cccc(C#N)c2)C1 ZINC000070748278 325028183 /nfs/dbraw/zinc/02/81/83/325028183.db2.gz FWAXDPJBTHTYSU-RISCZKNCSA-N 0 0 214.312 3.549 10 30 BHEERN CC[C@H]1CC[C@H](Nc2cccc(C#N)c2)C1 ZINC000070748279 325028294 /nfs/dbraw/zinc/02/82/94/325028294.db2.gz FWAXDPJBTHTYSU-FZMZJTMJSA-N 0 0 214.312 3.549 10 30 BHEERN CC[C@@H]1CC[C@@H](Nc2cccc(C#N)c2)C1 ZINC000070748280 325028060 /nfs/dbraw/zinc/02/80/60/325028060.db2.gz FWAXDPJBTHTYSU-BXUZGUMPSA-N 0 0 214.312 3.549 10 30 BHEERN CC[C@H]1CC[C@@H](Nc2cccc(C#N)c2)C1 ZINC000070748283 325028313 /nfs/dbraw/zinc/02/83/13/325028313.db2.gz FWAXDPJBTHTYSU-SMDDNHRTSA-N 0 0 214.312 3.549 10 30 BHEERN CC[C@@H]1CCCC[C@@H]1Nc1cccc(C#N)c1 ZINC000070977614 170968006 /nfs/dbraw/zinc/96/80/06/170968006.db2.gz XMWLWJRQMKTAEE-HIFRSBDPSA-N 0 0 228.339 3.939 10 30 BHEERN CCCN(CCC)c1cc(Cl)ccc1C#N ZINC000071128795 169152695 /nfs/dbraw/zinc/15/26/95/169152695.db2.gz QPKAQEKIUNCMDT-UHFFFAOYSA-N 0 0 236.746 3.838 10 30 BHEERN N#Cc1ccc(Oc2cc(F)ccc2F)cc1 ZINC000071167743 181129122 /nfs/dbraw/zinc/12/91/22/181129122.db2.gz VBQLHFGPUKXJPD-UHFFFAOYSA-N 0 0 231.201 3.629 10 30 BHEERN N#Cc1ccccc1Oc1cc(F)ccc1F ZINC000071167744 181150251 /nfs/dbraw/zinc/15/02/51/181150251.db2.gz ZDSTXBUPWDPNQS-UHFFFAOYSA-N 0 0 231.201 3.629 10 30 BHEERN N#Cc1ccc(Oc2cc(F)ccc2F)c(F)c1 ZINC000071167747 181129113 /nfs/dbraw/zinc/12/91/13/181129113.db2.gz AYQFOOGAZFDOJM-UHFFFAOYSA-N 0 0 249.191 3.768 10 30 BHEERN N#Cc1ccc(Nc2ccc3c(c2)CCCN3)cc1 ZINC000071215002 181126931 /nfs/dbraw/zinc/12/69/31/181126931.db2.gz GQYAMRTUVMDWSP-UHFFFAOYSA-N 0 0 249.317 3.660 10 30 BHEERN O=C(/C=C/C1=CCCC=C1)C1=CCCCC1 ZINC000071404695 368411410 /nfs/dbraw/zinc/41/14/10/368411410.db2.gz HXDNPMOYMRPDMH-VAWYXSNFSA-N 0 0 214.308 3.889 10 30 BHEERN CCCOc1ccc(C#N)c2ccccc12 ZINC000071453788 169316206 /nfs/dbraw/zinc/31/62/06/169316206.db2.gz BTDHJXWXPUHHSS-UHFFFAOYSA-N 0 0 211.264 3.500 10 30 BHEERN CC(C)Oc1c(Cl)cc(Cl)cc1C#N ZINC000071462972 167285396 /nfs/dbraw/zinc/28/53/96/167285396.db2.gz NZCODDZTUPLQIA-UHFFFAOYSA-N 0 0 230.094 3.652 10 30 BHEERN CCCOc1c(Cl)cc(Cl)cc1C#N ZINC000071463010 169313602 /nfs/dbraw/zinc/31/36/02/169313602.db2.gz PZBGTMXZEQQUAN-UHFFFAOYSA-N 0 0 230.094 3.654 10 30 BHEERN N#Cc1c(Cl)[nH]c2c1ccc(Cl)c2Cl ZINC000071466172 181073000 /nfs/dbraw/zinc/07/30/00/181073000.db2.gz RUELEYHENVEHBR-UHFFFAOYSA-N 0 0 245.496 4.000 10 30 BHEERN N#Cc1c(Cl)[nH]c2c1cc(Cl)cc2Cl ZINC000071466211 181073025 /nfs/dbraw/zinc/07/30/25/181073025.db2.gz PXRCQNCTBWLXCV-UHFFFAOYSA-N 0 0 245.496 4.000 10 30 BHEERN N#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12 ZINC000071466251 181072983 /nfs/dbraw/zinc/07/29/83/181072983.db2.gz CIASEDSKXNOKMG-UHFFFAOYSA-N 0 0 245.496 4.000 10 30 BHEERN N#Cc1c(Cl)[nH]c2cc(Cl)cc(Cl)c12 ZINC000071466290 181072997 /nfs/dbraw/zinc/07/29/97/181072997.db2.gz KNPHXDOEDJSZFI-UHFFFAOYSA-N 0 0 245.496 4.000 10 30 BHEERN C=C(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000071508465 343964266 /nfs/dbraw/zinc/96/42/66/343964266.db2.gz NFGXMZNWNIAHCH-UHFFFAOYSA-N 0 0 202.297 3.743 10 30 BHEERN C=C(C)C(=O)c1ccc(CCCC)cc1 ZINC000071508466 343686940 /nfs/dbraw/zinc/68/69/40/343686940.db2.gz ZVJYTRKPGDCRAH-UHFFFAOYSA-N 0 0 202.297 3.788 10 30 BHEERN C=C(C)C(=O)c1ccc(CC(C)C)cc1 ZINC000071508468 188186854 /nfs/dbraw/zinc/18/68/54/188186854.db2.gz HCLOUDQFXWTIPK-UHFFFAOYSA-N 0 0 202.297 3.644 10 30 BHEERN C=C(C)C(=O)c1c(C)c(C)cc(C)c1C ZINC000071508474 188186327 /nfs/dbraw/zinc/18/63/27/188186327.db2.gz FXQUOIMSEPFCSX-UHFFFAOYSA-N 0 0 202.297 3.679 10 30 BHEERN C=C(C)CC(=O)c1c(F)cccc1Cl ZINC000071518577 362006806 /nfs/dbraw/zinc/00/68/06/362006806.db2.gz IDTDMGPSPIVEKQ-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN CC(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000071519201 362006076 /nfs/dbraw/zinc/00/60/76/362006076.db2.gz SWNGPJQYNOQOPQ-NSCUHMNNSA-N 0 0 215.079 3.596 10 30 BHEERN C=C(C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000071520617 188288504 /nfs/dbraw/zinc/28/85/04/188288504.db2.gz YINJFBBDSRMWDZ-UHFFFAOYSA-N 0 0 218.296 3.623 10 30 BHEERN C=CC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000071531572 362006386 /nfs/dbraw/zinc/00/63/86/362006386.db2.gz PFYMVDLIAMUPFA-UHFFFAOYSA-N 0 0 224.259 3.848 10 30 BHEERN C=C(C)CC(=O)c1ccccc1Br ZINC000071549238 187359776 /nfs/dbraw/zinc/35/97/76/187359776.db2.gz UXJGIYUKWUNPSQ-UHFFFAOYSA-N 0 0 239.112 3.598 10 30 BHEERN CSC1=CC(=O)/C(=C/c2ccccc2)S1 ZINC000071602919 175455188 /nfs/dbraw/zinc/45/51/88/175455188.db2.gz DHFAGGXMBJSCHU-XFFZJAGNSA-N 0 0 234.345 3.548 10 30 BHEERN C=CC[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000071973700 387125100 /nfs/dbraw/zinc/12/51/00/387125100.db2.gz NBRSVPXFJZHZPY-RYUDHWBXSA-N 0 0 239.359 3.646 10 30 BHEERN C=CCc1cc(-c2ccc(F)cc2)ccc1O ZINC000072114948 187533552 /nfs/dbraw/zinc/53/35/52/187533552.db2.gz LHEDCLWSEXBYKR-UHFFFAOYSA-N 0 0 228.266 3.927 10 30 BHEERN C=CCc1cc(-c2cccc(OC)c2)ccc1O ZINC000072120372 187359163 /nfs/dbraw/zinc/35/91/63/187359163.db2.gz CHYQQLFQBUMXIH-UHFFFAOYSA-N 0 0 240.302 3.796 10 30 BHEERN C=CCc1cc(-c2ccc(OC)cc2)ccc1O ZINC000072142279 385970466 /nfs/dbraw/zinc/97/04/66/385970466.db2.gz JPBRTICFLQMGKN-UHFFFAOYSA-N 0 0 240.302 3.796 10 30 BHEERN C=CCN(CC)C(=O)CC/C=C/c1ccccc1 ZINC000072236035 166325777 /nfs/dbraw/zinc/32/57/77/166325777.db2.gz MHRFMTSCNJFOBH-XYOKQWHBSA-N 0 0 243.350 3.515 10 30 BHEERN COc1ccc(/N=C(/Cl)C(F)(F)F)cc1 ZINC000072400016 175049550 /nfs/dbraw/zinc/04/95/50/175049550.db2.gz CIRVADWNFWYATJ-RIYZIHGNSA-N 0 0 237.608 3.526 10 30 in-vitro BHEERN C=CCC1=C(C)Sc2ccccc2NC1=O ZINC000072416386 343951965 /nfs/dbraw/zinc/95/19/65/343951965.db2.gz ZLAUJZGCSXRQFC-UHFFFAOYSA-N 0 0 231.320 3.581 10 30 BHEERN Cc1cc(C#N)c2c(c1)[C@H](C)CC(C)(C)N2 ZINC000072417464 384140810 /nfs/dbraw/zinc/14/08/10/384140810.db2.gz YVZDZBTVSWTRKK-SNVBAGLBSA-N 0 0 214.312 3.564 10 30 BHEERN Cc1cc(C#N)c2c(c1)[C@@H](C)CC(C)(C)N2 ZINC000072417465 384141014 /nfs/dbraw/zinc/14/10/14/384141014.db2.gz YVZDZBTVSWTRKK-JTQLQIEISA-N 0 0 214.312 3.564 10 30 BHEERN C=CCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000072481975 385926528 /nfs/dbraw/zinc/92/65/28/385926528.db2.gz JWARENQJRFYKMD-UHFFFAOYSA-N 0 0 239.359 3.790 10 30 BHEERN CC(C)(C)Sc1cccc(F)c1C#N ZINC000072710173 344308841 /nfs/dbraw/zinc/30/88/41/344308841.db2.gz PIRJYGMPSTWCHR-UHFFFAOYSA-N 0 0 209.289 3.588 10 30 BHEERN CCCCCCCCCC(=O)[C@@H](O)C(C)C ZINC000073158332 188115307 /nfs/dbraw/zinc/11/53/07/188115307.db2.gz ODUVWKFKFCYFDC-AWEZNQCLSA-N 0 0 228.376 3.713 10 30 BHEERN CCCCCCCCCC(=O)[C@H](O)CCC ZINC000073196744 188115379 /nfs/dbraw/zinc/11/53/79/188115379.db2.gz PWAVSBFYJVACGW-CYBMUJFWSA-N 0 0 228.376 3.857 10 30 BHEERN CCCCCCCCCC(=O)[C@@H](O)CCC ZINC000073196745 188288460 /nfs/dbraw/zinc/28/84/60/188288460.db2.gz PWAVSBFYJVACGW-ZDUSSCGKSA-N 0 0 228.376 3.857 10 30 BHEERN C=CCOc1ccc2oc(=S)ccc2c1 ZINC000073310487 188115297 /nfs/dbraw/zinc/11/52/97/188115297.db2.gz BFJPCOLVRFNXSH-UHFFFAOYSA-N 0 0 218.277 3.727 10 30 BHEERN C#Cc1ccc2c(ccc3ccccc32)c1 ZINC000073374230 357447765 /nfs/dbraw/zinc/44/77/65/357447765.db2.gz OEMQNFYGCFXEEJ-UHFFFAOYSA-N 0 0 202.256 3.974 10 30 BHEERN CCn1c2ccc(C(C)C)cc2nc1CS ZINC000074297428 172144679 /nfs/dbraw/zinc/14/46/79/172144679.db2.gz AMMHERRABREJRM-UHFFFAOYSA-N 0 0 234.368 3.609 10 30 BHEERN C#CCCCOc1ccc(C(C)(C)C)cc1 ZINC000075421104 188221250 /nfs/dbraw/zinc/22/12/50/188221250.db2.gz KBHZIMSNZRFKGH-UHFFFAOYSA-N 0 0 216.324 3.776 10 30 BHEERN C=C(Cl)C[C@]1(C=O)CC2CCC1CC2 ZINC000075622293 188133324 /nfs/dbraw/zinc/13/33/24/188133324.db2.gz AXOXPONYGHXXLQ-HTAVTVPLSA-N 0 0 212.720 3.524 10 30 BHEERN C=C(Cl)C[C@@]1(C=O)CC2CCC1CC2 ZINC000075622296 188491869 /nfs/dbraw/zinc/49/18/69/188491869.db2.gz AXOXPONYGHXXLQ-MCIGGMRASA-N 0 0 212.720 3.524 10 30 BHEERN N#Cc1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000075872949 181094689 /nfs/dbraw/zinc/09/46/89/181094689.db2.gz PBXASNIXCCQDLX-UHFFFAOYSA-N 0 0 215.202 3.503 10 30 BHEERN Cc1ccc(F)cc1Oc1ccccc1C#N ZINC000075881629 178692220 /nfs/dbraw/zinc/69/22/20/178692220.db2.gz DRJGINHPOSSCJC-UHFFFAOYSA-N 0 0 227.238 3.798 10 30 BHEERN N#CC1(c2ccccc2C(F)(F)F)CCC1 ZINC000075933916 181031393 /nfs/dbraw/zinc/03/13/93/181031393.db2.gz QUHCHEMGZAPDOX-UHFFFAOYSA-N 0 0 225.213 3.651 10 30 BHEERN N#Cc1ccc(/C=C\c2ccccc2C#N)cc1 ZINC000077027091 187534295 /nfs/dbraw/zinc/53/42/95/187534295.db2.gz FVENBNYAMBDRRJ-KTKRTIGZSA-N 0 0 230.270 3.600 10 30 BHEERN N#Cc1ccc(/C=C/c2ccccc2C#N)cc1 ZINC000077027096 188221981 /nfs/dbraw/zinc/22/19/81/188221981.db2.gz FVENBNYAMBDRRJ-MDZDMXLPSA-N 0 0 230.270 3.600 10 30 BHEERN CC(C)Oc1ccc(CS)cc1Cl ZINC000077308626 167294097 /nfs/dbraw/zinc/29/40/97/167294097.db2.gz QCBNQEQFPVGENN-UHFFFAOYSA-N 0 0 216.733 3.557 10 30 BHEERN C#CCN1c2ccccc2Sc2ccccc21 ZINC000077312646 132235772 /nfs/dbraw/zinc/23/57/72/132235772.db2.gz HKJXSXLOBLUWBF-UHFFFAOYSA-N 0 0 237.327 3.923 10 30 in-vitro BHEERN Cc1ccc(C2=CC(=O)CCC2)cc1Cl ZINC000077331515 178511905 /nfs/dbraw/zinc/51/19/05/178511905.db2.gz HEMNKXVLVRLWKD-UHFFFAOYSA-N 0 0 220.699 3.785 10 30 BHEERN CCCOc1ccc(C2=CC(=O)CCC2)cc1 ZINC000077359709 169317801 /nfs/dbraw/zinc/31/78/01/169317801.db2.gz OQJFWIYGYMIORC-UHFFFAOYSA-N 0 0 230.307 3.612 10 30 BHEERN CC(C)Oc1ccc(C2=CC(=O)CCC2)cc1 ZINC000077359720 167291946 /nfs/dbraw/zinc/29/19/46/167291946.db2.gz WOUQPGYNUKNOPS-UHFFFAOYSA-N 0 0 230.307 3.610 10 30 BHEERN CC(C)c1ccc(C2(C#N)CCC(=O)CC2)cc1 ZINC000077388136 388674825 /nfs/dbraw/zinc/67/48/25/388674825.db2.gz UWQDAYYQHINEQH-UHFFFAOYSA-N 0 0 241.334 3.714 10 30 BHEERN N#CCc1cccc(Sc2ccccc2)c1 ZINC000078100397 368336800 /nfs/dbraw/zinc/33/68/00/368336800.db2.gz VZKYOLXXCQKMPM-UHFFFAOYSA-N 0 0 225.316 3.904 10 30 BHEERN C=CC[C@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC000078310616 347386232 /nfs/dbraw/zinc/38/62/32/347386232.db2.gz HGRPZPNBLXHCGI-UONOGXRCSA-N 0 0 232.323 3.703 10 30 BHEERN C=CC[C@@H]1COC(C)(C)O[C@@H]1c1ccccc1 ZINC000078310618 368347948 /nfs/dbraw/zinc/34/79/48/368347948.db2.gz HGRPZPNBLXHCGI-ZIAGYGMSSA-N 0 0 232.323 3.703 10 30 BHEERN CCC(C)N=Nc1nc2cc(C)cc(C)c2s1 ZINC000078397707 384443779 /nfs/dbraw/zinc/44/37/79/384443779.db2.gz LGAFGCOGWJGMOW-XNTDXEJSSA-N 0 0 247.367 3.533 10 30 BHEERN COc1ccc2cccc3c2c1[C@H](CC#N)CC3 ZINC000078774247 343016886 /nfs/dbraw/zinc/01/68/86/343016886.db2.gz VJROXKBFMIMZDA-ZDUSSCGKSA-N 0 0 237.302 3.792 10 30 BHEERN COc1ccc2cccc3c2c1[C@@H](CC#N)CC3 ZINC000078774250 343017010 /nfs/dbraw/zinc/01/70/10/343017010.db2.gz VJROXKBFMIMZDA-CYBMUJFWSA-N 0 0 237.302 3.792 10 30 BHEERN O=C1C=C2CC[C@@H](c3ccccc3)C[C@H]2CC1 ZINC000079160164 343759056 /nfs/dbraw/zinc/75/90/56/343759056.db2.gz PKKVWXHWXKJGJM-ZIAGYGMSSA-N 0 0 226.319 3.860 10 30 BHEERN O=C1C=C2CC[C@H](c3ccccc3)C[C@H]2CC1 ZINC000079160166 343758639 /nfs/dbraw/zinc/75/86/39/343758639.db2.gz PKKVWXHWXKJGJM-UONOGXRCSA-N 0 0 226.319 3.860 10 30 BHEERN O=C1C=C2CC[C@@H](c3ccccc3)C[C@@H]2CC1 ZINC000079160168 343758543 /nfs/dbraw/zinc/75/85/43/343758543.db2.gz PKKVWXHWXKJGJM-KGLIPLIRSA-N 0 0 226.319 3.860 10 30 BHEERN O=C1C=C2CC[C@H](c3ccccc3)C[C@@H]2CC1 ZINC000079160170 343758361 /nfs/dbraw/zinc/75/83/61/343758361.db2.gz PKKVWXHWXKJGJM-KBPBESRZSA-N 0 0 226.319 3.860 10 30 BHEERN C(/C=N/c1ccccc1)=N\c1ccccc1 ZINC000079198975 344354820 /nfs/dbraw/zinc/35/48/20/344354820.db2.gz QAHVEIHCWHKZET-JOBJLJCHSA-N 0 0 208.264 3.791 10 30 BHEERN N#Cc1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000079643328 181073778 /nfs/dbraw/zinc/07/37/78/181073778.db2.gz AGYNWNALSTYWGF-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN CC[C@@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000080118626 535809851 /nfs/dbraw/zinc/80/98/51/535809851.db2.gz FBZZWNBKZOQNKC-CQSZACIVSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@H]1CC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000080453211 325480678 /nfs/dbraw/zinc/48/06/78/325480678.db2.gz BQAQAPPSPOAKPE-SWLSCSKDSA-N 0 0 228.339 3.743 10 30 BHEERN CCCCCC/C=C\C(=O)C(F)(F)F ZINC000080494932 188118181 /nfs/dbraw/zinc/11/81/81/188118181.db2.gz GBZCFQFQXMJNSG-FPLPWBNLSA-N 0 0 208.223 3.644 10 30 BHEERN CCCCCOc1ccc(CS)cc1 ZINC000080812202 644289716 /nfs/dbraw/zinc/28/97/16/644289716.db2.gz JIYATZYEWTZFCP-UHFFFAOYSA-N 0 0 210.342 3.685 10 30 BHEERN CC[C@@]1(C)OC(c2ccc(SC)cc2)=CC1=O ZINC000082025622 343120270 /nfs/dbraw/zinc/12/02/70/343120270.db2.gz CIWJLCLHNPDZIN-CQSZACIVSA-N 0 0 248.347 3.517 10 30 BHEERN CC[C@]1(C)OC(c2ccc(SC)cc2)=CC1=O ZINC000082025623 343120152 /nfs/dbraw/zinc/12/01/52/343120152.db2.gz CIWJLCLHNPDZIN-AWEZNQCLSA-N 0 0 248.347 3.517 10 30 BHEERN C=C(CC)c1ccc(Br)cc1 ZINC000082163990 187406450 /nfs/dbraw/zinc/40/64/50/187406450.db2.gz RGATWDYVVSRVCF-UHFFFAOYSA-N 0 0 211.102 3.872 10 30 BHEERN COc1cccc(Oc2ccccc2CC#N)c1 ZINC000082305065 175284895 /nfs/dbraw/zinc/28/48/95/175284895.db2.gz ZOHXZMLSFJOQEH-UHFFFAOYSA-N 0 0 239.274 3.554 10 30 BHEERN Cc1ccc(C(=O)/C=C/c2ccc(N)cc2)s1 ZINC000082308244 178369109 /nfs/dbraw/zinc/36/91/09/178369109.db2.gz VCRJNQICVHTTAU-VMPITWQZSA-N 0 0 243.331 3.535 10 30 BHEERN CC(C)(C)c1cc(C#N)c2cc(F)ccc2n1 ZINC000082467629 187794116 /nfs/dbraw/zinc/79/41/16/187794116.db2.gz YKTXHQXZAIVSBM-UHFFFAOYSA-N 0 0 228.270 3.543 10 30 BHEERN CC[C@H](Nc1ccc(F)cc1C#N)C(C)C ZINC000082516485 322824259 /nfs/dbraw/zinc/82/42/59/322824259.db2.gz BLWVXFHKHGRPRL-LBPRGKRZSA-N 0 0 220.291 3.544 10 30 BHEERN CC[C@@H](Nc1ccc(F)cc1C#N)C(C)C ZINC000082516486 385329013 /nfs/dbraw/zinc/32/90/13/385329013.db2.gz BLWVXFHKHGRPRL-GFCCVEGCSA-N 0 0 220.291 3.544 10 30 BHEERN CCC(CC)[C@@H](C)Nc1ccccc1C#N ZINC000082633204 168399983 /nfs/dbraw/zinc/39/99/83/168399983.db2.gz TVJHXHZNMQFWOH-LLVKDONJSA-N 0 0 216.328 3.795 10 30 BHEERN N#Cc1sc2c(c1C(F)(F)F)C1(CCC1)C2 ZINC000083235873 181178412 /nfs/dbraw/zinc/17/84/12/181178412.db2.gz STYXMZBVXQZYKT-UHFFFAOYSA-N 0 0 243.253 3.616 10 30 BHEERN C=CCSc1nnc(/C=C\c2ccccc2)o1 ZINC000083253276 636872976 /nfs/dbraw/zinc/87/29/76/636872976.db2.gz KNCUAPLKRWYIMR-HJWRWDBZSA-N 0 0 244.319 3.518 10 30 BHEERN Cc1ccc(Br)cc1CCCC#N ZINC000083256249 178362321 /nfs/dbraw/zinc/36/23/21/178362321.db2.gz WDZBUSYNHFJNFY-UHFFFAOYSA-N 0 0 238.128 3.604 10 30 BHEERN Cc1cc(C(C)(C)C)ccc1CCS ZINC000083266970 188178868 /nfs/dbraw/zinc/17/88/68/188178868.db2.gz HRKLKXZTWGCSBI-UHFFFAOYSA-N 0 0 208.370 3.765 10 30 BHEERN N#CCc1ccc(Cl)c2ccccc12 ZINC000083307222 188178966 /nfs/dbraw/zinc/17/89/66/188178966.db2.gz QMIPXEWUEHZLBR-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN O=C(/C=C/C=C\c1ccco1)c1ccccc1 ZINC000083325761 644403444 /nfs/dbraw/zinc/40/34/44/644403444.db2.gz QQNBODTUWUYURK-WNEGIOFOSA-N 0 0 224.259 3.732 10 30 BHEERN N#Cc1cc2cccc(Br)c2s1 ZINC000083337965 181093980 /nfs/dbraw/zinc/09/39/80/181093980.db2.gz JZYUFQYAEIDRKY-UHFFFAOYSA-N 0 0 238.109 3.535 10 30 BHEERN Cc1cccc(C)c1CNc1ccccc1C#N ZINC000083363854 179038780 /nfs/dbraw/zinc/03/87/80/179038780.db2.gz TZZBIKJKRUSMGY-UHFFFAOYSA-N 0 0 236.318 3.787 10 30 BHEERN CC[C@@]1(C#N)C=CC(c2ccccc2)=CC1 ZINC000083406796 171195190 /nfs/dbraw/zinc/19/51/90/171195190.db2.gz GAQIPJYDPJVUKE-OAHLLOKOSA-N 0 0 209.292 3.950 10 30 BHEERN N#CC1(c2ccc(F)cc2F)CCCCC1 ZINC000083882285 181031360 /nfs/dbraw/zinc/03/13/60/181031360.db2.gz GJCMAAIIVRTVJX-UHFFFAOYSA-N 0 0 221.250 3.690 10 30 BHEERN CCCCCCC=CC=CC=NNN=O ZINC000083923068 188297034 /nfs/dbraw/zinc/29/70/34/188297034.db2.gz ZEPDNBQRELJMRH-SNUJAXHWSA-N 0 0 209.293 3.896 10 30 in-vitro BHEERN C[C@@H](CC#N)c1ccc(C(F)(F)F)cc1 ZINC000083988621 368846293 /nfs/dbraw/zinc/84/62/93/368846293.db2.gz VWFWPQWTEUMIER-QMMMGPOBSA-N 0 0 213.202 3.723 10 30 BHEERN C[C@H](CC#N)c1ccc(C(F)(F)F)cc1 ZINC000083988623 368846763 /nfs/dbraw/zinc/84/67/63/368846763.db2.gz VWFWPQWTEUMIER-MRVPVSSYSA-N 0 0 213.202 3.723 10 30 BHEERN N#CC1(c2ccc(-c3ccccc3)cc2)CC1 ZINC000084488165 368857068 /nfs/dbraw/zinc/85/70/68/368857068.db2.gz XEVZEABICZWQBJ-UHFFFAOYSA-N 0 0 219.287 3.909 10 30 BHEERN N#Cc1ccc(-c2ccc(N)cc2F)c(Cl)c1 ZINC000084653828 181095347 /nfs/dbraw/zinc/09/53/47/181095347.db2.gz AUSFWCYPGUGPQD-UHFFFAOYSA-N 0 0 246.672 3.600 10 30 BHEERN N#Cc1cc(Cl)ccc1-c1ccc(N)cc1F ZINC000084654356 181086151 /nfs/dbraw/zinc/08/61/51/181086151.db2.gz UHKZUNKFWHBGKV-UHFFFAOYSA-N 0 0 246.672 3.600 10 30 BHEERN Cc1ccc2c(c1)c(C#N)cn2Cc1ccccc1 ZINC000084863826 178958120 /nfs/dbraw/zinc/95/81/20/178958120.db2.gz UITXDGRVLOIIDQ-UHFFFAOYSA-N 0 0 246.313 3.870 10 30 BHEERN Cc1cccc2c(C#N)cn(Cc3ccccc3)c21 ZINC000084874560 179209399 /nfs/dbraw/zinc/20/93/99/179209399.db2.gz LLSHCSIOFNGWCF-UHFFFAOYSA-N 0 0 246.313 3.870 10 30 BHEERN CCCCCCCC[C@@H](C)C(=O)OC ZINC000085605545 168654595 /nfs/dbraw/zinc/65/45/95/168654595.db2.gz ZWSMRUGTQTWTII-LLVKDONJSA-N 0 0 200.322 3.546 10 30 BHEERN C=C1CC[C@H]2O[C@@]2(C)CC[C@H]2[C@@H]1CC2(C)C ZINC000085644667 290785342 /nfs/dbraw/zinc/78/53/42/290785342.db2.gz NVEQFIOZRFFVFW-COMQUAJESA-N 0 0 220.356 3.936 10 30 biogenic,in-vitro BHEERN Cc1nsc(N[C@@H](C)c2cccs2)c1C#N ZINC000086254593 385002295 /nfs/dbraw/zinc/00/22/95/385002295.db2.gz HXKXMSDBYSEJKC-QMMMGPOBSA-N 0 0 249.364 3.558 10 30 BHEERN Cc1nsc(N[C@H](C)c2cccs2)c1C#N ZINC000086254595 180523425 /nfs/dbraw/zinc/52/34/25/180523425.db2.gz HXKXMSDBYSEJKC-MRVPVSSYSA-N 0 0 249.364 3.558 10 30 BHEERN C=CCC1(O)CCC(C(C)(C)CC)CC1 ZINC000086712508 538558992 /nfs/dbraw/zinc/55/89/92/538558992.db2.gz ABCGJIVYMZYMQN-UHFFFAOYSA-N 0 0 210.361 3.920 10 30 BHEERN FC(F)(F)Sc1ccc(CS)cc1 ZINC000086895270 644266469 /nfs/dbraw/zinc/26/64/69/644266469.db2.gz RRKVBCPSZMCKPZ-UHFFFAOYSA-N 0 0 224.272 3.728 10 30 BHEERN SC1c2ccccc2Cc2ccccc21 ZINC000086895310 644266838 /nfs/dbraw/zinc/26/68/38/644266838.db2.gz SHKBKLPVRMZOGH-UHFFFAOYSA-N 0 0 212.317 3.610 10 30 BHEERN C=CCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088235185 256808044 /nfs/dbraw/zinc/80/80/44/256808044.db2.gz CNLRROLTFJNAEV-LBPRGKRZSA-N 0 0 249.329 3.668 10 30 BHEERN CCCC(F)(F)C(F)(F)C(F)(F)F ZINC000088241158 168585468 /nfs/dbraw/zinc/58/54/68/168585468.db2.gz XMEPUXUKDYDDDY-UHFFFAOYSA-N 0 0 212.108 3.619 10 30 BHEERN CCCCCCCO[C@@H]1CCCCO1 ZINC000088245343 343120307 /nfs/dbraw/zinc/12/03/07/343120307.db2.gz HESNMEWIDJZZQZ-LBPRGKRZSA-N 0 0 200.322 3.500 10 30 BHEERN CCCCCCCO[C@H]1CCCCO1 ZINC000088245345 368908726 /nfs/dbraw/zinc/90/87/26/368908726.db2.gz HESNMEWIDJZZQZ-GFCCVEGCSA-N 0 0 200.322 3.500 10 30 BHEERN C=CCOc1cc2ccccc2cc1C(C)=O ZINC000088386958 345751898 /nfs/dbraw/zinc/75/18/98/345751898.db2.gz MKXJKZIRNIRUSK-UHFFFAOYSA-N 0 0 226.275 3.607 10 30 BHEERN C=CC(=O)C(c1ccccc1)c1ccccc1 ZINC000088498969 344240304 /nfs/dbraw/zinc/24/03/04/344240304.db2.gz JOOFBXHKDLXZNU-UHFFFAOYSA-N 0 0 222.287 3.574 10 30 BHEERN CC(=O)/C=C/c1cccc2sccc21 ZINC000089195298 188144113 /nfs/dbraw/zinc/14/41/13/188144113.db2.gz OJLUXHGBJMBCIF-AATRIKPKSA-N 0 0 202.278 3.504 10 30 BHEERN CCO/C=N/c1ccc2ccsc2c1 ZINC000089195392 520390532 /nfs/dbraw/zinc/39/05/32/520390532.db2.gz BNUFEYLLIUKVJP-XYOKQWHBSA-N 0 0 205.282 3.598 10 30 BHEERN C=C(C)CCc1ccccc1-c1ncc[nH]1 ZINC000089202689 383944823 /nfs/dbraw/zinc/94/48/23/383944823.db2.gz POTSWMQQEGXRLV-UHFFFAOYSA-N 0 0 212.296 3.585 10 30 BHEERN C(=N/c1ccccc1)\c1cccc2cc[nH]c21 ZINC000089209310 166229945 /nfs/dbraw/zinc/22/99/45/166229945.db2.gz PSACOYHKXCXPQK-GZTJUZNOSA-N 0 0 220.275 3.919 10 30 BHEERN C=C(C)Sc1nc2ncc(C)cc2s1 ZINC000089229368 188451677 /nfs/dbraw/zinc/45/16/77/188451677.db2.gz BVRZFKJRPYXQKG-UHFFFAOYSA-N 0 0 222.338 3.625 10 30 BHEERN C=CCSc1nc2ncc(Cl)cc2s1 ZINC000089229442 166429166 /nfs/dbraw/zinc/42/91/66/166429166.db2.gz KNCCGUZPYKIZNO-UHFFFAOYSA-N 0 0 242.756 3.623 10 30 BHEERN C[C@@H](C=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000089556432 360428011 /nfs/dbraw/zinc/42/80/11/360428011.db2.gz NGIADKDKJSMVAF-NSHDSACASA-N 0 0 222.287 3.560 10 30 BHEERN C[C@H](C=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000089556433 360427663 /nfs/dbraw/zinc/42/76/63/360427663.db2.gz NGIADKDKJSMVAF-LLVKDONJSA-N 0 0 222.287 3.560 10 30 BHEERN CC1CCC(CNc2ccc(CC#N)cc2)CC1 ZINC000089575999 256577694 /nfs/dbraw/zinc/57/76/94/256577694.db2.gz SUPVRNRZIBUEGW-UHFFFAOYSA-N 0 0 242.366 3.991 10 30 BHEERN C[C@@H](Cc1ccccc1)/N=C/c1ccccc1F ZINC000090427773 644591385 /nfs/dbraw/zinc/59/13/85/644591385.db2.gz ZHYWRJFQAKYQQP-HTMJNSLASA-N 0 0 241.309 3.876 10 30 BHEERN C[C@H](Cc1ccccc1)/N=C/c1ccccc1F ZINC000090427779 644591401 /nfs/dbraw/zinc/59/14/01/644591401.db2.gz ZHYWRJFQAKYQQP-RNEAKCBISA-N 0 0 241.309 3.876 10 30 BHEERN CCO/C=C/C(=O)c1ccc2ccccc2c1 ZINC000090460386 170179564 /nfs/dbraw/zinc/17/95/64/170179564.db2.gz FNWMBIZGEHARSQ-MDZDMXLPSA-N 0 0 226.275 3.573 10 30 BHEERN CCO/C=C/C(=O)c1cccc2ccccc21 ZINC000090460394 344269238 /nfs/dbraw/zinc/26/92/38/344269238.db2.gz NBTHWWVNEWVCIA-ZHACJKMWSA-N 0 0 226.275 3.573 10 30 BHEERN COc1cc(C)cc(Oc2cccc(C#N)c2)c1 ZINC000090528429 388850969 /nfs/dbraw/zinc/85/09/69/388850969.db2.gz MDYQLAYZDMTULR-UHFFFAOYSA-N 0 0 239.274 3.668 10 30 BHEERN Cc1nc(C(C)(C)C)cc(-c2ccco2)c1C#N ZINC000090562606 179892975 /nfs/dbraw/zinc/89/29/75/179892975.db2.gz GWLOTZHZYRCAEA-UHFFFAOYSA-N 0 0 240.306 3.819 10 30 BHEERN N#Cc1c2ccccc2ccc1-c1ccccn1 ZINC000090562650 181073115 /nfs/dbraw/zinc/07/31/15/181073115.db2.gz RAOAZOCOMQZNHT-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 BHEERN C[C@H]1C=C[C@H](C)N1c1ccc(C#N)c2ccccc21 ZINC000090563313 187243515 /nfs/dbraw/zinc/24/35/15/187243515.db2.gz SPESJSJVDJOMGR-STQMWFEESA-N 0 0 248.329 3.865 10 30 BHEERN C[C@@H]1C=C[C@@H](C)N1c1ccc(C#N)c2ccccc21 ZINC000090563316 187243471 /nfs/dbraw/zinc/24/34/71/187243471.db2.gz SPESJSJVDJOMGR-CHWSQXEVSA-N 0 0 248.329 3.865 10 30 BHEERN N#Cc1ccc2scc(C(F)(F)F)c2c1 ZINC000090567597 188305178 /nfs/dbraw/zinc/30/51/78/188305178.db2.gz ZLPMBORNSHARBS-UHFFFAOYSA-N 0 0 227.210 3.792 10 30 BHEERN N#Cc1cccc(Oc2cc(O)cc(Cl)c2)c1 ZINC000090567848 181142720 /nfs/dbraw/zinc/14/27/20/181142720.db2.gz SBDDEKMWSHYMEF-UHFFFAOYSA-N 0 0 245.665 3.710 10 30 BHEERN N#Cc1cnc(-c2ccccc2)cc1-c1ccco1 ZINC000090568221 181161646 /nfs/dbraw/zinc/16/16/46/181161646.db2.gz ZLNZMDUOMYLFCP-UHFFFAOYSA-N 0 0 246.269 3.880 10 30 BHEERN CC(C)=CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000090623856 368989883 /nfs/dbraw/zinc/98/98/83/368989883.db2.gz YMNGELYMDBWYRJ-UHFFFAOYSA-N 0 0 228.213 3.854 10 30 BHEERN O=Cc1ccc2occ(C#Cc3ccccc3)c2c1 ZINC000090669291 386262662 /nfs/dbraw/zinc/26/26/62/386262662.db2.gz ALHZIMBGWLZHSC-UHFFFAOYSA-N 0 0 246.265 3.645 10 30 BHEERN C=Cc1ccc(-c2snc(Cl)c2C#N)cc1 ZINC000090735066 188271931 /nfs/dbraw/zinc/27/19/31/188271931.db2.gz RBQQWLJVSHECBK-UHFFFAOYSA-N 0 0 246.722 3.978 10 30 BHEERN N#CCc1cc(Cl)c2ccccc2c1 ZINC000091301961 181048084 /nfs/dbraw/zinc/04/80/84/181048084.db2.gz ZWICQGTYLYPEDA-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN Cc1ccc(C)c([C@@H](C=O)c2ccccc2)c1 ZINC000091352745 524204984 /nfs/dbraw/zinc/20/49/84/524204984.db2.gz JVYHSGHCUCIZAC-INIZCTEOSA-N 0 0 224.303 3.634 10 30 BHEERN Cc1ccc(C)c([C@H](C=O)c2ccccc2)c1 ZINC000091352749 524210298 /nfs/dbraw/zinc/21/02/98/524210298.db2.gz JVYHSGHCUCIZAC-MRXNPFEDSA-N 0 0 224.303 3.634 10 30 BHEERN N#Cc1c(Cl)cccc1-c1ccccc1 ZINC000091365441 181073543 /nfs/dbraw/zinc/07/35/43/181073543.db2.gz ONMVVPCZYAQCSA-UHFFFAOYSA-N 0 0 213.667 3.879 10 30 BHEERN N#Cc1cncc(-c2ccccc2C(F)(F)F)c1 ZINC000091366152 181164121 /nfs/dbraw/zinc/16/41/21/181164121.db2.gz QEVNTQWUSIMZSX-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN N#Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000091366201 181164119 /nfs/dbraw/zinc/16/41/19/181164119.db2.gz ZQGIIMBAHXUTRX-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN N#Cc1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000091366209 398292141 /nfs/dbraw/zinc/29/21/41/398292141.db2.gz VNPBBQAGKHOPSA-UHFFFAOYSA-N 0 0 249.100 3.927 10 30 BHEERN N#Cc1cncc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000091366230 188319525 /nfs/dbraw/zinc/31/95/25/188319525.db2.gz KESDMBYQAUXDPB-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN N#Cc1cc2ccccc2nc1-c1ccccc1 ZINC000091691755 181093984 /nfs/dbraw/zinc/09/39/84/181093984.db2.gz QHGZYCJXIVNYPN-UHFFFAOYSA-N 0 0 230.270 3.773 10 30 BHEERN C=CCC(C)(C)CNC(=O)OCc1ccccc1 ZINC000091692306 518686875 /nfs/dbraw/zinc/68/68/75/518686875.db2.gz VFWLNFHLABDENZ-UHFFFAOYSA-N 0 0 247.338 3.515 10 30 BHEERN N#Cc1cc(-c2ccccc2)nc2ccc(F)cc12 ZINC000091692472 181080607 /nfs/dbraw/zinc/08/06/07/181080607.db2.gz YQNCHVHYHUNPHM-UHFFFAOYSA-N 0 0 248.260 3.913 10 30 BHEERN C=CCc1ccccc1Oc1nc(CC)ns1 ZINC000092582736 345640143 /nfs/dbraw/zinc/64/01/43/345640143.db2.gz CHWBSMNWFAODPB-UHFFFAOYSA-N 0 0 246.335 3.621 10 30 BHEERN C[C@H](Nc1snc(Cl)c1C#N)C(C)(C)C ZINC000092672926 343961187 /nfs/dbraw/zinc/96/11/87/343961187.db2.gz JFTCKEYULHCMFU-LURJTMIESA-N 0 0 243.763 3.515 10 30 BHEERN CCC1CCC(Nc2snc(C)c2C#N)CC1 ZINC000092912448 344432731 /nfs/dbraw/zinc/43/27/31/344432731.db2.gz HPAIOVKCOUOZDR-UHFFFAOYSA-N 0 0 249.383 3.704 10 30 BHEERN N#Cc1ccc(Oc2ncc(Cl)cc2F)cc1 ZINC000094053486 371194185 /nfs/dbraw/zinc/19/41/85/371194185.db2.gz KORKSJIDLJHCSB-UHFFFAOYSA-N 0 0 248.644 3.538 10 30 BHEERN CC(C)[C@@H]1CCC=C2C[C@H](C)[C@@H](C=O)C[C@H]21 ZINC000095117316 167465900 /nfs/dbraw/zinc/46/59/00/167465900.db2.gz MBYXHMPZSCQJAC-PMOUVXMZSA-N 0 0 220.356 3.840 10 30 BHEERN N#CC(F)(F)c1ccc(Cl)c(Cl)c1 ZINC000095218342 181027674 /nfs/dbraw/zinc/02/76/74/181027674.db2.gz RDWQDPNRXQBAEB-UHFFFAOYSA-N 0 0 222.021 3.609 10 30 BHEERN C=C(C)/C=C/c1cccc2[nH]cc(C=O)c21 ZINC000095571880 187500414 /nfs/dbraw/zinc/50/04/14/187500414.db2.gz AXOXRKLGTGXWJN-VOTSOKGWSA-N 0 0 211.264 3.570 10 30 BHEERN C=CCc1cccc(F)c1C(F)(F)F ZINC000095631388 538610332 /nfs/dbraw/zinc/61/03/32/538610332.db2.gz RWHBLGIJHKIGIZ-UHFFFAOYSA-N 0 0 204.166 3.573 10 30 BHEERN CCc1ccc(C#Cc2ccccc2)cc1 ZINC000095632159 346080052 /nfs/dbraw/zinc/08/00/52/346080052.db2.gz IIHCBXLKRQANHA-UHFFFAOYSA-N 0 0 206.288 3.649 10 30 BHEERN CC(C)[C@@H]1CC[C@H](C)[C@@H]2CCC(=O)C=C12 ZINC000095742335 187288065 /nfs/dbraw/zinc/28/80/65/187288065.db2.gz AQNMVDGKNNYAEW-DRZSPHRISA-N 0 0 206.329 3.594 10 30 BHEERN C=C(C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000095755570 346080468 /nfs/dbraw/zinc/08/04/68/346080468.db2.gz NHZCEQHMHMGVAC-UHFFFAOYSA-N 0 0 226.250 3.722 10 30 BHEERN CCCCCCCCCCC/C(N)=N\O ZINC000095810840 350660878 /nfs/dbraw/zinc/66/08/78/350660878.db2.gz KVACUYQANHDHQF-UHFFFAOYSA-N 0 0 214.353 3.654 10 30 BHEERN N#CCCCc1ccc(Cl)c(Cl)c1 ZINC000095829622 188321028 /nfs/dbraw/zinc/32/10/28/188321028.db2.gz YZGXEAKPVOFBSJ-UHFFFAOYSA-N 0 0 214.095 3.840 10 30 BHEERN N#CCCCc1cccc(C(F)(F)F)c1 ZINC000095883321 384404994 /nfs/dbraw/zinc/40/49/94/384404994.db2.gz MJLKOKAURMZPFG-UHFFFAOYSA-N 0 0 213.202 3.552 10 30 BHEERN C#Cc1c2ccccc2cc2ccccc12 ZINC000095908457 187362175 /nfs/dbraw/zinc/36/21/75/187362175.db2.gz WSZBYXQREMPYLP-UHFFFAOYSA-N 0 0 202.256 3.974 10 30 BHEERN C=C(CC(C)C)c1nc2ccccc2[nH]1 ZINC000095923574 188224134 /nfs/dbraw/zinc/22/41/34/188224134.db2.gz PYBWWOGAZBCJIB-UHFFFAOYSA-N 0 0 200.285 3.622 10 30 BHEERN C=C(CCCC)c1nc2ccccc2[nH]1 ZINC000095924076 386556121 /nfs/dbraw/zinc/55/61/21/386556121.db2.gz IYKYCJFKOFYGKI-UHFFFAOYSA-N 0 0 200.285 3.766 10 30 BHEERN CC(C)c1cc(C#N)cc(C(C)C)c1O ZINC000095930228 188321141 /nfs/dbraw/zinc/32/11/41/188321141.db2.gz FVOUUJRIRBYIOB-UHFFFAOYSA-N 0 0 203.285 3.511 10 30 BHEERN C=C(C)Oc1c(Cl)cccc1Cl ZINC000095934337 187536140 /nfs/dbraw/zinc/53/61/40/187536140.db2.gz SEBNNSRIVWPJHC-UHFFFAOYSA-N 0 0 203.068 3.906 10 30 BHEERN N#Cc1ccccc1-c1nc2ccccc2s1 ZINC000095935084 181144403 /nfs/dbraw/zinc/14/44/03/181144403.db2.gz MESGPNCEJPYOFI-UHFFFAOYSA-N 0 0 236.299 3.835 10 30 BHEERN C=C1[C@@H]2CC[C@@H](C2)[C@]1(C)CC/C=C(/C)CO ZINC000095935221 187362244 /nfs/dbraw/zinc/36/22/44/187362244.db2.gz OJYKYCDSGQGTRJ-MESUHTNNSA-N 0 0 220.356 3.698 10 30 BHEERN C=C(C)c1ccc(F)cc1C(F)(F)F ZINC000095935611 386556502 /nfs/dbraw/zinc/55/65/02/386556502.db2.gz DQONTLWERBJJRV-UHFFFAOYSA-N 0 0 204.166 3.878 10 30 BHEERN O=CCCc1cccc(Oc2ccccc2)c1 ZINC000095938104 384417443 /nfs/dbraw/zinc/41/74/43/384417443.db2.gz IAFFBDLQWKQKPU-UHFFFAOYSA-N 0 0 226.275 3.610 10 30 BHEERN CCOC1=CC(=O)C12CCC(C(C)(C)C)CC2 ZINC000095938326 170320306 /nfs/dbraw/zinc/32/03/06/170320306.db2.gz IENUXOMVXJQOOT-UHFFFAOYSA-N 0 0 236.355 3.712 10 30 BHEERN C=CCC[C@H](C)Nc1cc(F)ccc1F ZINC000096034350 166301379 /nfs/dbraw/zinc/30/13/79/166301379.db2.gz NTQUNGFUOZBPFD-VIFPVBQESA-N 0 0 211.255 3.731 10 30 BHEERN C=CCC[C@@H](C)Nc1cc(F)ccc1F ZINC000096034351 166295027 /nfs/dbraw/zinc/29/50/27/166295027.db2.gz NTQUNGFUOZBPFD-SECBINFHSA-N 0 0 211.255 3.731 10 30 BHEERN Fc1cc(CC(F)(F)F)ccc1C(F)(F)F ZINC000096102643 384212078 /nfs/dbraw/zinc/21/20/78/384212078.db2.gz MNBBDBOIQDEHFO-UHFFFAOYSA-N 0 0 246.125 3.949 10 30 BHEERN CCCCO/C=C/C(=O)c1cccc(Cl)c1 ZINC000096308289 388814358 /nfs/dbraw/zinc/81/43/58/388814358.db2.gz OFYGQOVLNUNAMB-VQHVLOKHSA-N 0 0 238.714 3.853 10 30 BHEERN FC(F)(F)C#Cc1cccc(C(F)(F)F)c1 ZINC000096675144 527661685 /nfs/dbraw/zinc/66/16/85/527661685.db2.gz VKBNZYKOLSOUJY-UHFFFAOYSA-N 0 0 238.130 3.619 10 30 BHEERN C#CCn1cnc(-c2ccccc2)c1/C(C)=C\C ZINC000096843932 644841588 /nfs/dbraw/zinc/84/15/88/644841588.db2.gz VQBWCUQEGBTNMY-ACAGNQJTSA-N 0 0 236.318 3.607 10 30 BHEERN N#Cc1cc(F)ccc1SCc1ccccc1 ZINC000097053938 181088195 /nfs/dbraw/zinc/08/81/95/181088195.db2.gz ZYHBQVDOHOMTRC-UHFFFAOYSA-N 0 0 243.306 3.990 10 30 BHEERN O=C(/C=C\c1ccco1)c1ccccc1Cl ZINC000098025314 384542192 /nfs/dbraw/zinc/54/21/92/384542192.db2.gz CJFXYIJZMOEFAS-FPLPWBNLSA-N 0 0 232.666 3.829 10 30 BHEERN CC(C)Oc1ccc(CCCCC#N)cc1 ZINC000098124037 167292572 /nfs/dbraw/zinc/29/25/72/167292572.db2.gz VVUKGAKXKNVMCD-UHFFFAOYSA-N 0 0 217.312 3.710 10 30 BHEERN CC(C)Oc1ccc(CCCCC#N)cc1F ZINC000098125970 167291635 /nfs/dbraw/zinc/29/16/35/167291635.db2.gz LGOKTTVANYQVMI-UHFFFAOYSA-N 0 0 235.302 3.849 10 30 BHEERN N#Cc1c[nH]c(-c2ccc3ccccc3c2)c1 ZINC000098177906 181079506 /nfs/dbraw/zinc/07/95/06/181079506.db2.gz FAHSPDGECUUIPO-UHFFFAOYSA-N 0 0 218.259 3.707 10 30 BHEERN N#Cc1cccc(Cc2nccc3ccccc32)c1 ZINC000098179207 187290744 /nfs/dbraw/zinc/29/07/44/187290744.db2.gz MXVRQLXYEWPQRA-UHFFFAOYSA-N 0 0 244.297 3.697 10 30 BHEERN COc1ccc([C@@H](C=O)C2CCCCC2)cc1 ZINC000098179280 191061873 /nfs/dbraw/zinc/06/18/73/191061873.db2.gz BLSVCLKHBCMJCW-HNNXBMFYSA-N 0 0 232.323 3.558 10 30 BHEERN COc1ccc([C@H](C=O)C2CCCCC2)cc1 ZINC000098179281 384599014 /nfs/dbraw/zinc/59/90/14/384599014.db2.gz BLSVCLKHBCMJCW-OAHLLOKOSA-N 0 0 232.323 3.558 10 30 BHEERN C=C(c1ccc(Br)cc1)C1CC1 ZINC000098179593 386679824 /nfs/dbraw/zinc/67/98/24/386679824.db2.gz HKBGRZDUYWYGHW-UHFFFAOYSA-N 0 0 223.113 3.872 10 30 BHEERN N#Cc1oc2ccc(O)cc2c1-c1ccccc1 ZINC000098179729 181177003 /nfs/dbraw/zinc/17/70/03/181177003.db2.gz HQOWJSKZKVYUOY-UHFFFAOYSA-N 0 0 235.242 3.677 10 30 BHEERN C#Cc1ccccc1-c1ccccc1C=C ZINC000098181102 187536740 /nfs/dbraw/zinc/53/67/40/187536740.db2.gz AUDCUAYMHBRQKZ-UHFFFAOYSA-N 0 0 204.272 3.978 10 30 BHEERN C#Cc1ccccc1-c1cc(C)cc(C)c1 ZINC000098181103 187873157 /nfs/dbraw/zinc/87/31/57/187873157.db2.gz BWRYCGOQAJHWEG-UHFFFAOYSA-N 0 0 206.288 3.952 10 30 BHEERN C#Cc1ccc(-c2ccccc2Cl)cc1 ZINC000098181110 166220178 /nfs/dbraw/zinc/22/01/78/166220178.db2.gz RUTMLYUEOVNIKC-UHFFFAOYSA-N 0 0 212.679 3.988 10 30 BHEERN C#Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000098181113 166220197 /nfs/dbraw/zinc/22/01/97/166220197.db2.gz SAIYZSYSSLLGMS-UHFFFAOYSA-N 0 0 212.679 3.988 10 30 BHEERN C#Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000098181114 166220180 /nfs/dbraw/zinc/22/01/80/166220180.db2.gz KZWPOBXMZZFDFU-UHFFFAOYSA-N 0 0 212.679 3.988 10 30 BHEERN C#Cc1ccc(-c2ccccc2)cc1Cl ZINC000098181115 166220194 /nfs/dbraw/zinc/22/01/94/166220194.db2.gz TUYWUBQBFQZCLY-UHFFFAOYSA-N 0 0 212.679 3.988 10 30 BHEERN CCCc1c(Cl)c(Cl)nc(Cl)c1C#N ZINC000098181160 169561528 /nfs/dbraw/zinc/56/15/28/169561528.db2.gz GGRAXLLCACZNNT-UHFFFAOYSA-N 0 0 249.528 3.866 10 30 BHEERN CC/C(=N\O)c1ccc(Cl)c(Cl)c1 ZINC000098192199 344519840 /nfs/dbraw/zinc/51/98/40/344519840.db2.gz DRUZGZRQYGJQPJ-FMIVXFBMSA-N 0 0 218.083 3.582 10 30 BHEERN CC/C=C/C(F)(F)C(F)(F)C(F)(F)F ZINC000098210401 188322247 /nfs/dbraw/zinc/32/22/47/188322247.db2.gz OJGIFDMSTFVZSM-ONEGZZNKSA-N 0 0 224.119 3.786 10 30 BHEERN CC(F)(F)OCCCC(F)(F)C(F)(F)F ZINC000098210570 384604940 /nfs/dbraw/zinc/60/49/40/384604940.db2.gz ADWSAFFLSHZIKB-UHFFFAOYSA-N 0 0 242.134 3.594 10 30 BHEERN CCCCCCCOCCCCCCO ZINC000100025814 384611356 /nfs/dbraw/zinc/61/13/56/384611356.db2.gz DHXXSRSZUAHCTJ-UHFFFAOYSA-N 0 0 216.365 3.526 10 30 BHEERN O/N=C1\CC[C@@H](c2ccccc2)c2ccccc21 ZINC000100026269 181829016 /nfs/dbraw/zinc/82/90/16/181829016.db2.gz CUNFMDVPFQXOLA-CMTMBAJVSA-N 0 0 237.302 3.791 10 30 BHEERN O/N=C1\CC[C@H](c2ccccc2)c2ccccc21 ZINC000100026274 384610985 /nfs/dbraw/zinc/61/09/85/384610985.db2.gz CUNFMDVPFQXOLA-PHODEOQFSA-N 0 0 237.302 3.791 10 30 BHEERN Cc1ccc(/C=N/c2ccc(C#N)cc2)cc1 ZINC000100033145 187290622 /nfs/dbraw/zinc/29/06/22/187290622.db2.gz UQBQQMKBXSJPDJ-GZTJUZNOSA-N 0 0 220.275 3.617 10 30 BHEERN Cc1ccc(/N=C/c2ccc(C#N)cc2)cc1 ZINC000100033176 178358995 /nfs/dbraw/zinc/35/89/95/178358995.db2.gz IRCYPZGHGCCFMZ-GZTJUZNOSA-N 0 0 220.275 3.617 10 30 BHEERN N#Cc1ccc(/N=C/c2ccc(Cl)cc2)cc1 ZINC000100033805 384611455 /nfs/dbraw/zinc/61/14/55/384611455.db2.gz GONDMLUXUOZZNS-LICLKQGHSA-N 0 0 240.693 3.962 10 30 BHEERN CCCCCCC#Cc1ccccc1C=O ZINC000100034635 191117248 /nfs/dbraw/zinc/11/72/48/191117248.db2.gz NLLBZRLVLJWMBG-UHFFFAOYSA-N 0 0 214.308 3.821 10 30 BHEERN CC(=O)c1ccc(N=Cc2cccs2)cc1 ZINC000100039037 191062033 /nfs/dbraw/zinc/06/20/33/191062033.db2.gz OONFHWFVJJQXIL-NTEUORMPSA-N 0 0 229.304 3.701 10 30 BHEERN Cc1c(/N=C/c2cccs2)cccc1[N+](=O)[O-] ZINC000100039131 384611278 /nfs/dbraw/zinc/61/12/78/384611278.db2.gz ZGJUENWNOUNWRU-MDWZMJQESA-N 0 0 246.291 3.715 10 30 BHEERN Cc1ccccc1C#CCc1ccccc1 ZINC000100039364 188516844 /nfs/dbraw/zinc/51/68/44/188516844.db2.gz LCFVNOPFCICOIS-UHFFFAOYSA-N 0 0 206.288 3.589 10 30 BHEERN O/N=C\C(=C(\Cl)C(F)(F)F)c1ccccc1 ZINC000100039572 527588920 /nfs/dbraw/zinc/58/89/20/527588920.db2.gz ADLJYFYSDNWAMU-TWCIDKHUSA-N 0 0 249.619 3.659 10 30 BHEERN CC(=O)c1ccc(N=Cc2ccc(F)cc2)cc1 ZINC000100042044 322972823 /nfs/dbraw/zinc/97/28/23/322972823.db2.gz GVCBVTGBFQTTFB-LICLKQGHSA-N 0 0 241.265 3.779 10 30 BHEERN CC(=O)c1cccc(N=Cc2ccc(F)cc2)c1 ZINC000100042047 166471218 /nfs/dbraw/zinc/47/12/18/166471218.db2.gz RGDYWIDNRKCTKH-LICLKQGHSA-N 0 0 241.265 3.779 10 30 BHEERN Cc1ccc(O)c(/N=C/c2ccc(F)cc2)c1 ZINC000100042153 384612238 /nfs/dbraw/zinc/61/22/38/384612238.db2.gz PERNMEZVJZOVRO-CXUHLZMHSA-N 0 0 229.254 3.590 10 30 BHEERN C/C(=N\O)c1ccc(C2CCCCC2)cc1 ZINC000100067389 219841533 /nfs/dbraw/zinc/84/15/33/219841533.db2.gz CQGBYUVOBDHUCU-RVDMUPIBSA-N 0 0 217.312 3.933 10 30 BHEERN CCCCCCCC(=O)c1cccnc1 ZINC000100071118 519967907 /nfs/dbraw/zinc/96/79/07/519967907.db2.gz HXYIZHKBIDOHKS-UHFFFAOYSA-N 0 0 205.301 3.625 10 30 BHEERN CCCCCCCC(=O)Oc1ccc(C=O)cc1 ZINC000100073193 168648577 /nfs/dbraw/zinc/64/85/77/168648577.db2.gz CRNAPIOANHRWDJ-UHFFFAOYSA-N 0 0 248.322 3.765 10 30 BHEERN CC[C@H](C)C(F)=C(F)C(=O)c1ccco1 ZINC000100081556 171246469 /nfs/dbraw/zinc/24/64/69/171246469.db2.gz AARACQVYEANZAI-YLZOWGOUSA-N 0 0 214.211 3.659 10 30 BHEERN Fc1ccc(/C=N\c2ccc(F)cc2)cc1 ZINC000100083044 384616908 /nfs/dbraw/zinc/61/69/08/384616908.db2.gz FRNJXANITCYEMD-SXGWCWSVSA-N 0 0 217.218 3.715 10 30 BHEERN Cc1ccc(O)c(/N=C\c2cccs2)c1 ZINC000100132157 178783837 /nfs/dbraw/zinc/78/38/37/178783837.db2.gz NLJMPZLJRDIZQW-JYRVWZFOSA-N 0 0 217.293 3.513 10 30 BHEERN CC[C@]1(c2cccc(OC)c2)CCCC/C1=N/O ZINC000100158664 384621765 /nfs/dbraw/zinc/62/17/65/384621765.db2.gz DXQBIKXUBNQJPG-VZHUHSAUSA-N 0 0 247.338 3.747 10 30 BHEERN CCCCCc1ccc(/C(C)=N\O)cc1 ZINC000100164899 384621733 /nfs/dbraw/zinc/62/17/33/384621733.db2.gz WMBIDOSUXWMCSJ-KAMYIIQDSA-N 0 0 205.301 3.618 10 30 BHEERN Cc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100204276 187458699 /nfs/dbraw/zinc/45/86/99/187458699.db2.gz PZHYCUFBBDDVKW-GDNBJRDFSA-N 0 0 240.262 3.654 10 30 BHEERN Cc1cc([N+](=O)[O-])ccc1/N=C\c1cccs1 ZINC000100214181 178271544 /nfs/dbraw/zinc/27/15/44/178271544.db2.gz LPVXDJLVAQACSK-JYRVWZFOSA-N 0 0 246.291 3.715 10 30 BHEERN Cc1ccc(/N=C\c2cccs2)cc1 ZINC000100214515 178359626 /nfs/dbraw/zinc/35/96/26/178359626.db2.gz GYARZCLYECUPMA-LCYFTJDESA-N 0 0 201.294 3.807 10 30 BHEERN Cc1ccc([N+](=O)[O-])cc1/N=C\c1cccs1 ZINC000100214605 384623100 /nfs/dbraw/zinc/62/31/00/384623100.db2.gz ISJOPSXWNJNGGY-JYRVWZFOSA-N 0 0 246.291 3.715 10 30 BHEERN CCOc1ccc(/N=C\c2ccc(F)cc2)cc1 ZINC000100220298 384296884 /nfs/dbraw/zinc/29/68/84/384296884.db2.gz DYNUXENLLANORQ-BOPFTXTBSA-N 0 0 243.281 3.975 10 30 BHEERN CCOc1ccc(/N=C\c2cccs2)cc1 ZINC000100220302 384623446 /nfs/dbraw/zinc/62/34/46/384623446.db2.gz QZPYBAUMMRHNJG-UVTDQMKNSA-N 0 0 231.320 3.897 10 30 BHEERN COc1ccc(/N=C\c2ccc(F)cc2)cc1 ZINC000100225189 175050131 /nfs/dbraw/zinc/05/01/31/175050131.db2.gz RAXZKIAJTMJMLN-YBEGLDIGSA-N 0 0 229.254 3.585 10 30 BHEERN CCCCCCCCCCC[C@H](O)CCO ZINC000100225364 168650320 /nfs/dbraw/zinc/65/03/20/168650320.db2.gz OTJSXUHOVUGHJG-AWEZNQCLSA-N 0 0 230.392 3.651 10 30 BHEERN COc1cccc(/C=N\c2ccc(F)cc2)c1 ZINC000100226104 175241810 /nfs/dbraw/zinc/24/18/10/175241810.db2.gz LTYSYYBPLPAZGI-YBEGLDIGSA-N 0 0 229.254 3.585 10 30 BHEERN C/C(=N/O)c1ccc(-c2ccccc2)cc1 ZINC000100237397 384625094 /nfs/dbraw/zinc/62/50/94/384625094.db2.gz GPYKKVAVBZNFOZ-PTNGSMBKSA-N 0 0 211.264 3.552 10 30 BHEERN CCOc1ccc(/C=N\c2ccc(F)cc2)cc1 ZINC000100243452 397920289 /nfs/dbraw/zinc/92/02/89/397920289.db2.gz SFVJMQHBQRAPAL-BOPFTXTBSA-N 0 0 243.281 3.975 10 30 BHEERN CCCCCCCc1cccc(O)c1O ZINC000100250777 384627946 /nfs/dbraw/zinc/62/79/46/384627946.db2.gz VDSNRFLNTUUEME-UHFFFAOYSA-N 0 0 208.301 3.611 10 30 BHEERN CC[C@@H]1CCC(O)=C1C(=O)c1ccccc1 ZINC000100261309 191062816 /nfs/dbraw/zinc/06/28/16/191062816.db2.gz NCGCUCKPPZZINZ-SNVBAGLBSA-N 0 0 216.280 3.501 10 30 BHEERN CC[C@H]1CCC(O)=C1C(=O)c1ccccc1 ZINC000100261312 187290869 /nfs/dbraw/zinc/29/08/69/187290869.db2.gz NCGCUCKPPZZINZ-JTQLQIEISA-N 0 0 216.280 3.501 10 30 BHEERN CCC[C@@H](C)/C=N/c1ccccc1C(=O)OC ZINC000100281899 169347538 /nfs/dbraw/zinc/34/75/38/169347538.db2.gz DLMYZQZLWRLQNN-HGLKBHAMSA-N 0 0 233.311 3.612 10 30 BHEERN CCC[C@H](C)/C=N/c1ccccc1C(=O)OC ZINC000100281903 384630008 /nfs/dbraw/zinc/63/00/08/384630008.db2.gz DLMYZQZLWRLQNN-KBVGCWLLSA-N 0 0 233.311 3.612 10 30 BHEERN CCCCCC/C=C\I ZINC000100291380 387354226 /nfs/dbraw/zinc/35/42/26/387354226.db2.gz SJZDDNSUIVLYIN-FPLPWBNLSA-N 0 0 238.112 3.906 10 30 BHEERN CCCCCCCC(=O)Oc1ccc(O)cc1 ZINC000100295216 519965906 /nfs/dbraw/zinc/96/59/06/519965906.db2.gz LFSWQJOBXQBXAT-UHFFFAOYSA-N 0 0 236.311 3.658 10 30 BHEERN CCCCCCCC[C@@H](C(C)=O)C(=O)OCC ZINC000100297999 168654227 /nfs/dbraw/zinc/65/42/27/168654227.db2.gz APTZVOCKCUIHMY-ZDUSSCGKSA-N 0 0 242.359 3.505 10 30 BHEERN CCCCCCCC[C@H](C(C)=O)C(=O)OCC ZINC000100298004 384631896 /nfs/dbraw/zinc/63/18/96/384631896.db2.gz APTZVOCKCUIHMY-CYBMUJFWSA-N 0 0 242.359 3.505 10 30 BHEERN CCCCCCCCCC[C@H](O)CC#N ZINC000100301705 384633860 /nfs/dbraw/zinc/63/38/60/384633860.db2.gz BMSKXVOVAICYGJ-ZDUSSCGKSA-N 0 0 211.349 3.792 10 30 BHEERN CCCCCCCCCC[C@@H](O)CC#N ZINC000100301706 384633155 /nfs/dbraw/zinc/63/31/55/384633155.db2.gz BMSKXVOVAICYGJ-CYBMUJFWSA-N 0 0 211.349 3.792 10 30 BHEERN O/N=C/C(=C(\Cl)C(F)(F)F)c1ccccc1 ZINC000100306625 384633730 /nfs/dbraw/zinc/63/37/30/384633730.db2.gz ADLJYFYSDNWAMU-PVLPBTDDSA-N 0 0 249.619 3.659 10 30 BHEERN NC(=S)/N=C1\CCCCC1=C1CCCCC1 ZINC000100312083 181314961 /nfs/dbraw/zinc/31/49/61/181314961.db2.gz KMOMEZXJMZYVQF-NTCAYCPXSA-N 0 0 236.384 3.506 10 30 BHEERN COc1ccc(/C=N\c2ccc(F)cc2)cc1 ZINC000100354272 175049870 /nfs/dbraw/zinc/04/98/70/175049870.db2.gz ZICFPEHQRZAFBZ-YBEGLDIGSA-N 0 0 229.254 3.585 10 30 BHEERN N#Cc1ccccc1/N=C/c1ccc(Cl)cc1 ZINC000100399217 181144358 /nfs/dbraw/zinc/14/43/58/181144358.db2.gz JKSKTVNVWTVFHU-LICLKQGHSA-N 0 0 240.693 3.962 10 30 BHEERN CCC/C=C\C=N\c1ccccc1C(=O)OC ZINC000100407827 187458562 /nfs/dbraw/zinc/45/85/62/187458562.db2.gz IGAVEPCBGZDTJY-JWSRNPNGSA-N 0 0 231.295 3.532 10 30 BHEERN CCC/C=C/C=N/c1ccccc1C(=O)OC ZINC000100407829 384640120 /nfs/dbraw/zinc/64/01/20/384640120.db2.gz IGAVEPCBGZDTJY-DVVLCRQDSA-N 0 0 231.295 3.532 10 30 BHEERN FC(F)=C(F)OC(F)(F)OC(F)=C(F)F ZINC000100424188 384639585 /nfs/dbraw/zinc/63/95/85/384639585.db2.gz GLHFHOMOSBNTAR-UHFFFAOYSA-N 0 0 244.037 3.640 10 30 BHEERN COc1ccc(/N=C\c2ccc(C)cc2)cc1 ZINC000100480198 175049845 /nfs/dbraw/zinc/04/98/45/175049845.db2.gz UFPMTVFOMMJDMG-WJDWOHSUSA-N 0 0 225.291 3.754 10 30 BHEERN Cc1ccc(/N=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100480216 178359607 /nfs/dbraw/zinc/35/96/07/178359607.db2.gz GSOZSSDYIVFJRF-GDNBJRDFSA-N 0 0 240.262 3.654 10 30 BHEERN N#Cc1ccc(/C=N\c2ccc(Cl)cc2)cc1 ZINC000100489436 384644828 /nfs/dbraw/zinc/64/48/28/384644828.db2.gz VATCYDHOZGUYKB-YVLHZVERSA-N 0 0 240.693 3.962 10 30 BHEERN CCOc1ccc(/N=C\c2ccc(O)cc2)cc1 ZINC000100489441 170535405 /nfs/dbraw/zinc/53/54/05/170535405.db2.gz MEYXUKYINZWWBO-WJDWOHSUSA-N 0 0 241.290 3.542 10 30 BHEERN COc1cccc(/N=C(\Cl)C(F)(F)F)c1 ZINC000100584553 175241784 /nfs/dbraw/zinc/24/17/84/175241784.db2.gz WUVOWVWHUFECNR-ZSOIEALJSA-N 0 0 237.608 3.526 10 30 BHEERN COc1ccccc1/N=C(\Cl)C(F)(F)F ZINC000100584559 175315583 /nfs/dbraw/zinc/31/55/83/175315583.db2.gz WZDYMUAGDOZJKY-ZSOIEALJSA-N 0 0 237.608 3.526 10 30 BHEERN Cc1ccccc1/N=C(\Cl)C(F)(F)F ZINC000100584567 179244349 /nfs/dbraw/zinc/24/43/49/179244349.db2.gz FHAFGVPXPVEATM-ZSOIEALJSA-N 0 0 221.609 3.826 10 30 BHEERN Fc1ccc(/N=C(\Cl)C(F)(F)F)cc1 ZINC000100681225 358427830 /nfs/dbraw/zinc/42/78/30/358427830.db2.gz RQMRLWLPPFJICW-AUWJEWJLSA-N 0 0 225.572 3.657 10 30 BHEERN CCCCCCCC[C@H]1OC(C)=CC1=O ZINC000100776031 571821300 /nfs/dbraw/zinc/82/13/00/571821300.db2.gz ZLLDSWALGJWTSW-CYBMUJFWSA-N 0 0 210.317 3.609 10 30 endogenous,in-man BHEERN C=C1CCC[C@]2(C)CC[C@@H](C(C)C)C(=O)[C@@H]12 ZINC000100778272 571827205 /nfs/dbraw/zinc/82/72/05/571827205.db2.gz TYQALBNCJWAILN-GZBFAFLISA-N 0 0 220.356 3.984 10 30 endogenous,in-man BHEERN C=C[C@]1(C)Cc2occ(C)c2C(=O)[C@@H]1C(=C)C ZINC000100824325 519304928 /nfs/dbraw/zinc/30/49/28/519304928.db2.gz ZVMJXSJCBLRAPD-DZGCQCFKSA-N 0 0 230.307 3.711 10 30 endogenous,in-man BHEERN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccco1 ZINC000100903083 187291024 /nfs/dbraw/zinc/29/10/24/187291024.db2.gz QGCRYXSWJNBAJF-PVUWTNIMSA-N 0 0 230.307 3.688 10 30 BHEERN CC(/C=C/C1=C(C)CCCC1(C)C)=N\O ZINC000101409731 191064307 /nfs/dbraw/zinc/06/43/07/191064307.db2.gz NXLBMDQTCMKAMF-DQBULIGTSA-N 0 0 207.317 3.919 10 30 BHEERN C=C(c1ccccc1)c1ccc(C#N)cc1 ZINC000101494261 368340460 /nfs/dbraw/zinc/34/04/60/368340460.db2.gz SWJJWQGNKYPTLZ-UHFFFAOYSA-N 0 0 205.260 3.620 10 30 BHEERN Cc1cccc(NC=CC(=O)c2ccccc2)c1 ZINC000101642602 179120795 /nfs/dbraw/zinc/12/07/95/179120795.db2.gz LTBVSOCTICIKMT-KHPPLWFESA-N 0 0 237.302 3.804 10 30 BHEERN CCCCCCCOc1ccccc1O ZINC000101816118 343056412 /nfs/dbraw/zinc/05/64/12/343056412.db2.gz SQTNPSPACFIFKU-UHFFFAOYSA-N 0 0 208.301 3.741 10 30 BHEERN C[C@@H]1CCCCC1N=Nc1nc2ccccc2[nH]1 ZINC000102648994 176062482 /nfs/dbraw/zinc/06/24/82/176062482.db2.gz BPOAICCYARPGCI-YFYRARJZSA-N 0 0 242.326 3.541 10 30 BHEERN C[C@H]1CCCCC1N=Nc1nc2ccccc2[nH]1 ZINC000102648996 177069700 /nfs/dbraw/zinc/06/97/00/177069700.db2.gz BPOAICCYARPGCI-FVKJSVPQSA-N 0 0 242.326 3.541 10 30 BHEERN CCCCCCC[C@](C)([NH2+][C@@H](C)CC)C(=O)[O-] ZINC000103113251 168657565 /nfs/dbraw/zinc/65/75/65/168657565.db2.gz WTYQKJSRDRSAIL-JSGCOSHPSA-N 0 0 243.391 3.578 10 30 BHEERN CO/N=C(C)/C=C/[C@H]1C(C)=CCCC1(C)C ZINC000103202188 173491721 /nfs/dbraw/zinc/49/17/21/173491721.db2.gz AELHASQYTOGISV-UWADRJDOSA-N 0 0 221.344 3.947 10 30 BHEERN Cc1ccc(/C=C2\Nc3ccccc3C2=O)cc1 ZINC000103284421 178356084 /nfs/dbraw/zinc/35/60/84/178356084.db2.gz LSSJMZKOASZVNW-GDNBJRDFSA-N 0 0 235.286 3.644 10 30 BHEERN CCCCCCC[C@@H](C#N)NC1CCCC1 ZINC000103310479 520066051 /nfs/dbraw/zinc/06/60/51/520066051.db2.gz RXAROJRVTDJKQQ-AWEZNQCLSA-N 0 0 222.376 3.771 10 30 BHEERN C/C(=N\O)c1ccc(OCCC(C)(C)C)cc1 ZINC000103330419 188336879 /nfs/dbraw/zinc/33/68/79/188336879.db2.gz ZNZGAPCDAUDOKY-RVDMUPIBSA-N 0 0 235.327 3.700 10 30 BHEERN C/C(=N\O)c1cccc(OCCC(C)(C)C)c1 ZINC000103330425 188336656 /nfs/dbraw/zinc/33/66/56/188336656.db2.gz VBPBGJZVFZYNAE-RVDMUPIBSA-N 0 0 235.327 3.700 10 30 BHEERN F/C(=C\CC(F)(F)F)C(F)(F)C(F)(F)F ZINC000103531066 180876694 /nfs/dbraw/zinc/87/66/94/180876694.db2.gz JQLNYOXDUCQDCG-IWQZZHSRSA-N 0 0 246.072 3.990 10 30 BHEERN FC(F)=CCC(F)(F)C(F)(F)C(F)(F)F ZINC000103531184 187291582 /nfs/dbraw/zinc/29/15/82/187291582.db2.gz YYXVLOSLRTWERQ-UHFFFAOYSA-N 0 0 246.072 3.990 10 30 BHEERN FC(F)(F)OCCCC(F)(F)C(F)(F)F ZINC000103537746 180888173 /nfs/dbraw/zinc/88/81/73/180888173.db2.gz ZQAFEQYJNYQKQK-UHFFFAOYSA-N 0 0 246.097 3.501 10 30 BHEERN CC1=CC=CC(=C2Nc3ccccc3S2)C1=O ZINC000103639334 188271500 /nfs/dbraw/zinc/27/15/00/188271500.db2.gz VRAFTOXPPSEOHY-GXDHUFHOSA-N 0 0 241.315 3.501 10 30 BHEERN CC1=CC(=O)C(=C2Nc3ccccc3S2)C=C1 ZINC000103639339 168091019 /nfs/dbraw/zinc/09/10/19/168091019.db2.gz VTAVWIPCSDWPRW-UVTDQMKNSA-N 0 0 241.315 3.501 10 30 BHEERN CCCCCCCCn1cc(C(=O)CC)cn1 ZINC000103685165 188323635 /nfs/dbraw/zinc/32/36/35/188323635.db2.gz ZYJQALLXHFYHAO-UHFFFAOYSA-N 0 0 236.359 3.836 10 30 BHEERN CCCCCCCCCC[C@@H](C#N)CO ZINC000103864369 168650541 /nfs/dbraw/zinc/65/05/41/168650541.db2.gz IVQJLWQEKBONAA-ZDUSSCGKSA-N 0 0 211.349 3.649 10 30 BHEERN Cc1ccc(C#N)c(N2c3ccccc3C[C@@H]2C)c1 ZINC000103995521 178363048 /nfs/dbraw/zinc/36/30/48/178363048.db2.gz IBICZOBDTRLNGN-ZDUSSCGKSA-N 0 0 248.329 3.949 10 30 BHEERN Cc1ccc(C#N)c(N2c3ccccc3C[C@H]2C)c1 ZINC000103995526 178363522 /nfs/dbraw/zinc/36/35/22/178363522.db2.gz IBICZOBDTRLNGN-CYBMUJFWSA-N 0 0 248.329 3.949 10 30 BHEERN Cc1ccc(C#N)c(N(C)C2CCC(C)CC2)c1 ZINC000104013476 187291420 /nfs/dbraw/zinc/29/14/20/187291420.db2.gz IOMPYNUCWMGGQT-UHFFFAOYSA-N 0 0 242.366 3.882 10 30 BHEERN CCC(CC)CN(CC)c1ccc(C#N)cc1 ZINC000104015064 168349556 /nfs/dbraw/zinc/34/95/56/168349556.db2.gz ZFRQOGJLSWAGIJ-UHFFFAOYSA-N 0 0 230.355 3.821 10 30 BHEERN CCCCCCCc1[nH]nc(N)c1CC(C)C ZINC000104085778 168659108 /nfs/dbraw/zinc/65/91/08/168659108.db2.gz HRPDMLGNXBVPSL-UHFFFAOYSA-N 0 0 237.391 3.703 10 30 BHEERN N#CCc1ccc(Oc2cccc(Cl)n2)cc1 ZINC000104105648 187631798 /nfs/dbraw/zinc/63/17/98/187631798.db2.gz IOTUIAUKQWCBIH-UHFFFAOYSA-N 0 0 244.681 3.593 10 30 BHEERN N#Cc1c(F)cccc1Oc1cccc(Cl)n1 ZINC000104108182 181077587 /nfs/dbraw/zinc/07/75/87/181077587.db2.gz FNBLQOXFQSNKHN-UHFFFAOYSA-N 0 0 248.644 3.538 10 30 BHEERN Cc1ccc(C#N)cc1Nc1cccc(Cl)n1 ZINC000104108190 178367056 /nfs/dbraw/zinc/36/70/56/178367056.db2.gz CPCQJOWWHGTWEG-UHFFFAOYSA-N 0 0 243.697 3.659 10 30 BHEERN C[C@@H]1Cc2ccccc2N(c2ccccc2C#N)C1 ZINC000104181988 132435458 /nfs/dbraw/zinc/43/54/58/132435458.db2.gz ONFYAUKJQWBEQP-CYBMUJFWSA-N 0 0 248.329 3.889 10 30 BHEERN C[C@H]1Cc2ccccc2N(c2ccccc2C#N)C1 ZINC000104181990 132435728 /nfs/dbraw/zinc/43/57/28/132435728.db2.gz ONFYAUKJQWBEQP-ZDUSSCGKSA-N 0 0 248.329 3.889 10 30 BHEERN C[C@@H]1CC=CC[C@@H]1COc1ccc(F)cc1C#N ZINC000104232279 176059422 /nfs/dbraw/zinc/05/94/22/176059422.db2.gz ZMLIUPGOHGXHAN-VXGBXAGGSA-N 0 0 245.297 3.678 10 30 BHEERN C[C@@H]1CC=CC[C@H]1COc1ccc(F)cc1C#N ZINC000104232287 176061479 /nfs/dbraw/zinc/06/14/79/176061479.db2.gz ZMLIUPGOHGXHAN-NEPJUHHUSA-N 0 0 245.297 3.678 10 30 BHEERN C[C@H]1CC=CC[C@H]1COc1ccc(F)cc1C#N ZINC000104232291 177068914 /nfs/dbraw/zinc/06/89/14/177068914.db2.gz ZMLIUPGOHGXHAN-RYUDHWBXSA-N 0 0 245.297 3.678 10 30 BHEERN N#Cc1cc(F)ccc1Oc1ccc(F)c(F)c1 ZINC000104233864 181087929 /nfs/dbraw/zinc/08/79/29/181087929.db2.gz OTIALJNIZWIKSB-UHFFFAOYSA-N 0 0 249.191 3.768 10 30 BHEERN N#Cc1cc(F)ccc1OC1CCCCCC1 ZINC000104233875 181088277 /nfs/dbraw/zinc/08/82/77/181088277.db2.gz BEQHMRLXCCAOOB-UHFFFAOYSA-N 0 0 233.286 3.799 10 30 BHEERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(F)cc1C#N ZINC000104235383 176078958 /nfs/dbraw/zinc/07/89/58/176078958.db2.gz JTHZVLPDJFVLIO-RISCZKNCSA-N 0 0 246.329 3.712 10 30 BHEERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(F)cc1C#N ZINC000104235387 177081584 /nfs/dbraw/zinc/08/15/84/177081584.db2.gz JTHZVLPDJFVLIO-FZMZJTMJSA-N 0 0 246.329 3.712 10 30 BHEERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(F)cc1C#N ZINC000104235390 176086475 /nfs/dbraw/zinc/08/64/75/176086475.db2.gz JTHZVLPDJFVLIO-BXUZGUMPSA-N 0 0 246.329 3.712 10 30 BHEERN C[C@H]1CCCC[C@H]1N(C)c1ccc(F)cc1C#N ZINC000104235394 177086859 /nfs/dbraw/zinc/08/68/59/177086859.db2.gz JTHZVLPDJFVLIO-SMDDNHRTSA-N 0 0 246.329 3.712 10 30 BHEERN N#Cc1cc(F)ccc1Nc1ccc(F)cc1F ZINC000104238287 181088560 /nfs/dbraw/zinc/08/85/60/181088560.db2.gz BHBBXJIZCITZDN-UHFFFAOYSA-N 0 0 248.207 3.719 10 30 BHEERN N#Cc1cc(F)ccc1Nc1cc(F)cc(F)c1 ZINC000104238298 181088180 /nfs/dbraw/zinc/08/81/80/181088180.db2.gz NEFKRCQSKQCAIK-UHFFFAOYSA-N 0 0 248.207 3.719 10 30 BHEERN N#Cc1cc(F)ccc1Sc1ccccc1F ZINC000104238327 181087936 /nfs/dbraw/zinc/08/79/36/181087936.db2.gz QRUDQERKMYDGTH-UHFFFAOYSA-N 0 0 247.269 3.988 10 30 BHEERN Cc1cccc(N(C)c2ccc(F)cc2C#N)c1 ZINC000104241288 179117443 /nfs/dbraw/zinc/11/74/43/179117443.db2.gz RZGPVWYRCZOSSQ-UHFFFAOYSA-N 0 0 240.281 3.774 10 30 BHEERN N#Cc1cc(F)ccc1Nc1cccc(F)c1F ZINC000104247724 181088189 /nfs/dbraw/zinc/08/81/89/181088189.db2.gz CRTILFAJINMRKX-UHFFFAOYSA-N 0 0 248.207 3.719 10 30 BHEERN C[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1C#N ZINC000104249033 176083069 /nfs/dbraw/zinc/08/30/69/176083069.db2.gz OFRBZCCWEREKQY-MFKMUULPSA-N 0 0 233.286 3.655 10 30 BHEERN C[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1C#N ZINC000104249036 177084056 /nfs/dbraw/zinc/08/40/56/177084056.db2.gz OFRBZCCWEREKQY-GWCFXTLKSA-N 0 0 233.286 3.655 10 30 BHEERN C[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1C#N ZINC000104249039 176089918 /nfs/dbraw/zinc/08/99/18/176089918.db2.gz OFRBZCCWEREKQY-ZWNOBZJWSA-N 0 0 233.286 3.655 10 30 BHEERN C[C@H]1CCCC[C@H]1Oc1ccc(F)cc1C#N ZINC000104249042 177090781 /nfs/dbraw/zinc/09/07/81/177090781.db2.gz OFRBZCCWEREKQY-GXFFZTMASA-N 0 0 233.286 3.655 10 30 BHEERN N#Cc1cc(F)ccc1Sc1ccc(O)cc1 ZINC000104250290 181088507 /nfs/dbraw/zinc/08/85/07/181088507.db2.gz KYGCUVXDMNMYNJ-UHFFFAOYSA-N 0 0 245.278 3.554 10 30 BHEERN N#Cc1cc(F)ccc1Oc1ccc(F)cc1F ZINC000104250469 181088146 /nfs/dbraw/zinc/08/81/46/181088146.db2.gz MZQCGXZRMOXTBN-UHFFFAOYSA-N 0 0 249.191 3.768 10 30 BHEERN CCC(CC)CN(CC)c1ccc(F)cc1C#N ZINC000104252014 168349903 /nfs/dbraw/zinc/34/99/03/168349903.db2.gz SZMTXKAJCQXFME-UHFFFAOYSA-N 0 0 248.345 3.960 10 30 BHEERN N#Cc1cc(F)ccc1Oc1ccccc1F ZINC000104252036 181088081 /nfs/dbraw/zinc/08/80/81/181088081.db2.gz WWYHFUNWFMFGGS-UHFFFAOYSA-N 0 0 231.201 3.629 10 30 BHEERN N#C[C@H](Nc1ccccc1)c1cccc(F)c1F ZINC000104252084 181066233 /nfs/dbraw/zinc/06/62/33/181066233.db2.gz MTSOYYMGKBMUQC-ZDUSSCGKSA-N 0 0 244.244 3.642 10 30 BHEERN N#C[C@@H](Nc1ccccc1)c1cccc(F)c1F ZINC000104252088 181057511 /nfs/dbraw/zinc/05/75/11/181057511.db2.gz MTSOYYMGKBMUQC-CYBMUJFWSA-N 0 0 244.244 3.642 10 30 BHEERN N#Cc1cc(F)ccc1Oc1ccc(F)cc1 ZINC000104253373 181088192 /nfs/dbraw/zinc/08/81/92/181088192.db2.gz MQUDKZHGSBPPPN-UHFFFAOYSA-N 0 0 231.201 3.629 10 30 BHEERN C=C[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH2+]CC ZINC000104334353 188051539 /nfs/dbraw/zinc/05/15/39/188051539.db2.gz UCTHFRLFTYJINQ-QWHCGFSZSA-N 0 0 233.355 3.619 10 30 BHEERN C#CCC[C@@H]1C[C@H](c2ccccc2)CCC1=O ZINC000104346961 166152791 /nfs/dbraw/zinc/15/27/91/166152791.db2.gz QLBJZBZQHQSYRV-HUUCEWRRSA-N 0 0 226.319 3.553 10 30 BHEERN C#CCC[C@H]1C[C@H](c2ccccc2)CCC1=O ZINC000104346965 166152306 /nfs/dbraw/zinc/15/23/06/166152306.db2.gz QLBJZBZQHQSYRV-CABCVRRESA-N 0 0 226.319 3.553 10 30 BHEERN C#CCC[C@@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000104346969 166151673 /nfs/dbraw/zinc/15/16/73/166151673.db2.gz QLBJZBZQHQSYRV-LSDHHAIUSA-N 0 0 226.319 3.553 10 30 BHEERN C#CCC[C@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000104346973 166152076 /nfs/dbraw/zinc/15/20/76/166152076.db2.gz QLBJZBZQHQSYRV-GJZGRUSLSA-N 0 0 226.319 3.553 10 30 BHEERN C#CCC[C@H](O)C1(c2ccccc2)CCCCC1 ZINC000104348220 166151465 /nfs/dbraw/zinc/15/14/65/166151465.db2.gz IZDKNAYZUZLEOP-INIZCTEOSA-N 0 0 242.362 3.663 10 30 BHEERN C#CCC[C@@H](O)C1(c2ccccc2)CCCCC1 ZINC000104348222 166152262 /nfs/dbraw/zinc/15/22/62/166152262.db2.gz IZDKNAYZUZLEOP-MRXNPFEDSA-N 0 0 242.362 3.663 10 30 BHEERN C[C@@H]1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000104363431 176103674 /nfs/dbraw/zinc/10/36/74/176103674.db2.gz HVPGFYOCZVOFGR-LLVKDONJSA-N 0 0 248.757 3.838 10 30 BHEERN C[C@H]1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000104363433 177105330 /nfs/dbraw/zinc/10/53/30/177105330.db2.gz HVPGFYOCZVOFGR-NSHDSACASA-N 0 0 248.757 3.838 10 30 BHEERN CC[C@@H]1CCCC[C@H]1N(C)c1cccc(C#N)c1 ZINC000104388668 170970354 /nfs/dbraw/zinc/97/03/54/170970354.db2.gz XZUJKKABYISPIQ-GDBMZVCRSA-N 0 0 242.366 3.963 10 30 BHEERN CC[C@H]1CCCC[C@H]1N(C)c1cccc(C#N)c1 ZINC000104388673 171611005 /nfs/dbraw/zinc/61/10/05/171611005.db2.gz XZUJKKABYISPIQ-GOEBONIOSA-N 0 0 242.366 3.963 10 30 BHEERN CC1(C[NH2+][C@@H](CC#N)c2ccccc2)CCCC1 ZINC000104449732 168043993 /nfs/dbraw/zinc/04/39/93/168043993.db2.gz JVAZPEMZQOFZAJ-HNNXBMFYSA-N 0 0 242.366 3.811 10 30 BHEERN CCCCCC[C@@H]1O[C@H]1CC(F)(F)F ZINC000104835561 168675733 /nfs/dbraw/zinc/67/57/33/168675733.db2.gz TXSJQAUXSZRDAY-IUCAKERBSA-N 0 0 210.239 3.677 10 30 BHEERN C=C[C@@H](c1ccccc1)C1(O)CCCCC1 ZINC000104837805 191122004 /nfs/dbraw/zinc/12/20/04/191122004.db2.gz WLEDQYKDSVIDLT-AWEZNQCLSA-N 0 0 216.324 3.651 10 30 BHEERN C=C[C@H](c1ccccc1)C1(O)CCCCC1 ZINC000104837808 191122225 /nfs/dbraw/zinc/12/22/25/191122225.db2.gz WLEDQYKDSVIDLT-CQSZACIVSA-N 0 0 216.324 3.651 10 30 BHEERN CC#CC(Br)=C1CCCCC1 ZINC000104839259 187537791 /nfs/dbraw/zinc/53/77/91/187537791.db2.gz WDSWSSQBKONLFH-UHFFFAOYSA-N 0 0 213.118 3.623 10 30 BHEERN C=C1C[C@@H](CCCCCCCC)OC1=O ZINC000104845364 191122000 /nfs/dbraw/zinc/12/20/00/191122000.db2.gz DHWBXQIRWNFCCJ-GFCCVEGCSA-N 0 0 210.317 3.609 10 30 BHEERN C=C1C[C@H](CCCCCCCC)OC1=O ZINC000104845366 187644586 /nfs/dbraw/zinc/64/45/86/187644586.db2.gz DHWBXQIRWNFCCJ-LBPRGKRZSA-N 0 0 210.317 3.609 10 30 BHEERN CCCCCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000106222957 588260601 /nfs/dbraw/zinc/26/06/01/588260601.db2.gz OFYJAILTTWSSDA-UHFFFAOYSA-N 0 0 239.334 3.591 10 30 BHEERN C=CCCC(=O)c1c(C)cc(C)cc1C ZINC000106880876 369214804 /nfs/dbraw/zinc/21/48/04/369214804.db2.gz OBZOOARBOMUOTO-UHFFFAOYSA-N 0 0 202.297 3.761 10 30 BHEERN CC(C)(C=O)c1ccc(-c2ccccc2)cc1 ZINC000107087160 343537007 /nfs/dbraw/zinc/53/70/07/343537007.db2.gz IYOFBRITFXKDDI-UHFFFAOYSA-N 0 0 224.303 3.830 10 30 BHEERN CCCCCCCCC[C@@H](O)COCCC ZINC000107551987 168651380 /nfs/dbraw/zinc/65/13/80/168651380.db2.gz PMUWEDQXWGOMIL-CQSZACIVSA-N 0 0 230.392 3.915 10 30 BHEERN CCCCCCCCNc1ccccn1 ZINC000107789701 520038911 /nfs/dbraw/zinc/03/89/11/520038911.db2.gz PDYALOHYMSTKLG-UHFFFAOYSA-N 0 0 206.333 3.854 10 30 BHEERN CCCCCCCC(O)=CC(=O)C(C)C ZINC000108308407 538075056 /nfs/dbraw/zinc/07/50/56/538075056.db2.gz NJASAPXPNQBGNA-UHFFFAOYSA-N 0 0 212.333 3.531 10 30 BHEERN CCCCCCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000108582542 645452876 /nfs/dbraw/zinc/45/28/76/645452876.db2.gz LMCZYZGUEBGJGT-UONOGXRCSA-N 0 0 222.376 3.629 10 30 BHEERN CCCCCCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000108582545 645453163 /nfs/dbraw/zinc/45/31/63/645453163.db2.gz LMCZYZGUEBGJGT-KBPBESRZSA-N 0 0 222.376 3.629 10 30 BHEERN C/C(=N/O)c1ccc(Cl)c(Cl)c1Cl ZINC000108859827 187293046 /nfs/dbraw/zinc/29/30/46/187293046.db2.gz MXPMSWCYSMRTCW-QCDXTXTGSA-N 0 0 238.501 3.845 10 30 BHEERN CCCCCCCCCCCCc1nn[nH]n1 ZINC000110371941 368750095 /nfs/dbraw/zinc/75/00/95/368750095.db2.gz BZPBWSWQQGPODG-UHFFFAOYSA-N 0 0 238.379 3.663 10 30 BHEERN CC(=O)C=C(C)Nc1cccc(C(F)(F)F)c1 ZINC000110474858 490251749 /nfs/dbraw/zinc/25/17/49/490251749.db2.gz KXRHFRNOXDARAF-SOFGYWHQSA-N 0 0 243.228 3.610 10 30 BHEERN C[C@@H]1CCC[C@H](Nc2ccc(F)cc2C#N)[C@@H]1C ZINC000111026530 176145157 /nfs/dbraw/zinc/14/51/57/176145157.db2.gz GVZGZZIOZLTMHE-GYSYKLTISA-N 0 0 246.329 3.934 10 30 BHEERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ccc(F)cc1C#N ZINC000111026533 177138393 /nfs/dbraw/zinc/13/83/93/177138393.db2.gz GVZGZZIOZLTMHE-WDMOLILDSA-N 0 0 246.329 3.934 10 30 BHEERN C[C@@H]1CCC[C@@H](Nc2ccc(F)cc2C#N)[C@@H]1C ZINC000111026535 176124536 /nfs/dbraw/zinc/12/45/36/176124536.db2.gz GVZGZZIOZLTMHE-JTNHKYCSSA-N 0 0 246.329 3.934 10 30 BHEERN C[C@H]1[C@H](Nc2ccc(F)cc2C#N)CCC[C@@H]1C ZINC000111026538 188162941 /nfs/dbraw/zinc/16/29/41/188162941.db2.gz GVZGZZIOZLTMHE-MISXGVKJSA-N 0 0 246.329 3.934 10 30 BHEERN C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccco1 ZINC000111142636 411219958 /nfs/dbraw/zinc/21/99/58/411219958.db2.gz KEVBEBSSOZUJDL-QMMMGPOBSA-N 0 0 248.232 3.603 10 30 BHEERN C[C@@H](Nc1c(F)cc(C#N)cc1F)c1ccco1 ZINC000111142639 175928695 /nfs/dbraw/zinc/92/86/95/175928695.db2.gz KEVBEBSSOZUJDL-MRVPVSSYSA-N 0 0 248.232 3.603 10 30 BHEERN CC[C@H](Nc1c(F)cc(C#N)cc1F)C(C)C ZINC000111143814 323156413 /nfs/dbraw/zinc/15/64/13/323156413.db2.gz ZNSDUDKFMPQWHC-LBPRGKRZSA-N 0 0 238.281 3.683 10 30 BHEERN CC[C@@H](Nc1c(F)cc(C#N)cc1F)C(C)C ZINC000111143818 323156386 /nfs/dbraw/zinc/15/63/86/323156386.db2.gz ZNSDUDKFMPQWHC-GFCCVEGCSA-N 0 0 238.281 3.683 10 30 BHEERN C#Cc1ccc2cc3ccccc3cc2c1 ZINC000111474805 345752614 /nfs/dbraw/zinc/75/26/14/345752614.db2.gz DGHUTFJRBDDVFF-UHFFFAOYSA-N 0 0 202.256 3.974 10 30 BHEERN CCC(CC)[C@@H](C)Nc1ccc(C#N)cc1F ZINC000111728362 168399427 /nfs/dbraw/zinc/39/94/27/168399427.db2.gz YMXUZQCIUOOKBW-SNVBAGLBSA-N 0 0 234.318 3.934 10 30 BHEERN C=C1CC[C@H](C)C(C)(C)[C@H]1/C=C\C(C)=O ZINC000111852807 188339645 /nfs/dbraw/zinc/33/96/45/188339645.db2.gz MVPDTCQYNRKWJA-HRPRIBIWSA-N 0 0 206.329 3.760 10 30 BHEERN C=CC(=O)OC[C@H](C)CCCCCCC ZINC000111900149 383886826 /nfs/dbraw/zinc/88/68/26/383886826.db2.gz DYJRZZRIXYRTMH-GFCCVEGCSA-N 0 0 212.333 3.712 10 30 BHEERN C=CC(=O)OC[C@@H](C)CCCCCCC ZINC000111900151 383885865 /nfs/dbraw/zinc/88/58/65/383885865.db2.gz DYJRZZRIXYRTMH-LBPRGKRZSA-N 0 0 212.333 3.712 10 30 BHEERN O=CCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000113035127 343120371 /nfs/dbraw/zinc/12/03/71/343120371.db2.gz ITYHZZRQKMCSIG-UHFFFAOYSA-N 0 0 246.256 3.686 10 30 BHEERN Cc1cc(C(C)(C)C#N)ccc1Br ZINC000113289751 524198960 /nfs/dbraw/zinc/19/89/60/524198960.db2.gz AZUKMMFEPRVVEF-UHFFFAOYSA-N 0 0 238.128 3.559 10 30 BHEERN C[C@H](Nc1ccc(F)cc1C#N)c1cccs1 ZINC000113317057 176932967 /nfs/dbraw/zinc/93/29/67/176932967.db2.gz CHQVIZBHPDPYPQ-VIFPVBQESA-N 0 0 246.310 3.932 10 30 BHEERN C[C@@H](Nc1ccc(F)cc1C#N)c1cccs1 ZINC000113317060 384889558 /nfs/dbraw/zinc/88/95/58/384889558.db2.gz CHQVIZBHPDPYPQ-SECBINFHSA-N 0 0 246.310 3.932 10 30 BHEERN CCCCCCCCCCC[S@@](C)=O ZINC000113334487 368890168 /nfs/dbraw/zinc/89/01/68/368890168.db2.gz RTRMEPPVPFBYMG-AWEZNQCLSA-N 0 0 218.406 3.896 10 30 BHEERN CCCCCCCCCCC[S@](C)=O ZINC000113334489 368889856 /nfs/dbraw/zinc/88/98/56/368889856.db2.gz RTRMEPPVPFBYMG-CQSZACIVSA-N 0 0 218.406 3.896 10 30 BHEERN C=C(C)C(=O)OCCCCCc1ccccc1 ZINC000113358285 345753573 /nfs/dbraw/zinc/75/35/73/345753573.db2.gz RXPPWNDYCIQFQB-UHFFFAOYSA-N 0 0 232.323 3.519 10 30 BHEERN C=C(C)c1ccc2cc(C(=O)OC)ccc2c1 ZINC000113430876 345754064 /nfs/dbraw/zinc/75/40/64/345754064.db2.gz WIDRXQDHTTVBDX-UHFFFAOYSA-N 0 0 226.275 3.660 10 30 BHEERN C=C(C)CCOc1ccc(Br)cc1 ZINC000113492680 188233687 /nfs/dbraw/zinc/23/36/87/188233687.db2.gz AVSHJPVQDXVPIX-UHFFFAOYSA-N 0 0 241.128 3.794 10 30 BHEERN FC(F)=CC(F)(C(F)(F)F)C(F)(F)F ZINC000113599949 344670022 /nfs/dbraw/zinc/67/00/22/344670022.db2.gz UDLSJLBLIOSNHV-UHFFFAOYSA-N 0 0 232.045 3.600 10 30 BHEERN C=CCc1cccc2c1CCC(SC)=N2 ZINC000113812852 345755389 /nfs/dbraw/zinc/75/53/89/345755389.db2.gz FUZKRNSSYGNAMF-UHFFFAOYSA-N 0 0 217.337 3.754 10 30 BHEERN CC(C)(C)c1ccccc1OCC#CCl ZINC000113874547 344679116 /nfs/dbraw/zinc/67/91/16/344679116.db2.gz GQOMGYZKRMOJBI-UHFFFAOYSA-N 0 0 222.715 3.563 10 30 BHEERN O=C1C=C(Nc2ccccc2)CC2(CCC2)C1 ZINC000113934438 368912442 /nfs/dbraw/zinc/91/24/42/368912442.db2.gz SLYSUPACOXSYFO-UHFFFAOYSA-N 0 0 227.307 3.516 10 30 BHEERN CC(C)(C)CCC(=O)c1ccc(C#N)cc1 ZINC000113987075 345755241 /nfs/dbraw/zinc/75/52/41/345755241.db2.gz MJPPFMXKGMPLMI-UHFFFAOYSA-N 0 0 215.296 3.567 10 30 BHEERN O/N=C(\Cl)Cc1cccc(-c2ccccc2)c1 ZINC000113991017 368914462 /nfs/dbraw/zinc/91/44/62/368914462.db2.gz LJHNNUARHBSDIB-PEZBUJJGSA-N 0 0 245.709 3.923 10 30 BHEERN N#CC1(c2ccc(C(F)(F)F)c(F)c2)CCC1 ZINC000114251095 345755854 /nfs/dbraw/zinc/75/58/54/345755854.db2.gz BCIVJHWGQSNHNK-UHFFFAOYSA-N 0 0 243.203 3.790 10 30 BHEERN N#CC1(c2ccc(C(F)(F)F)cc2F)CCC1 ZINC000114251225 345755884 /nfs/dbraw/zinc/75/58/84/345755884.db2.gz CAZLKZFOITVWLX-UHFFFAOYSA-N 0 0 243.203 3.790 10 30 BHEERN O=CCCc1sc2ccccc2c1Cl ZINC000114337139 370553359 /nfs/dbraw/zinc/55/33/59/370553359.db2.gz FZYHMPQXSQYXMH-UHFFFAOYSA-N 0 0 224.712 3.686 10 30 BHEERN C=C(C(=O)c1ccccc1)c1ccccc1 ZINC000114532670 343121012 /nfs/dbraw/zinc/12/10/12/343121012.db2.gz ZTKPNSXSOUTJFJ-UHFFFAOYSA-N 0 0 208.260 3.583 10 30 BHEERN C[C@H](C#N)c1c(Cl)cccc1Cl ZINC000114616529 344424313 /nfs/dbraw/zinc/42/43/13/344424313.db2.gz HSYOQRRRWBJWPV-ZCFIWIBFSA-N 0 0 200.068 3.620 10 30 BHEERN C(#Cc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000115185190 368978652 /nfs/dbraw/zinc/97/86/52/368978652.db2.gz BZGCBJFXKQSIGJ-UHFFFAOYSA-N 0 0 217.271 3.568 10 30 BHEERN CCC(C=O)(c1ccccc1)c1ccccc1 ZINC000115340161 344707986 /nfs/dbraw/zinc/70/79/86/344707986.db2.gz JCRVIOGXBGOFER-UHFFFAOYSA-N 0 0 224.303 3.582 10 30 BHEERN CC1=C(c2ccc(F)cc2)[C@@H](CC=O)CC1 ZINC000115909486 344720582 /nfs/dbraw/zinc/72/05/82/344720582.db2.gz FUCZJRQHNKSIQH-GFCCVEGCSA-N 0 0 218.271 3.598 10 30 BHEERN CC1=C(c2ccc(F)cc2)[C@H](CC=O)CC1 ZINC000115909490 343120936 /nfs/dbraw/zinc/12/09/36/343120936.db2.gz FUCZJRQHNKSIQH-LBPRGKRZSA-N 0 0 218.271 3.598 10 30 BHEERN CSc1cncc(C#Cc2cccc(C)c2)c1 ZINC000116291405 342923636 /nfs/dbraw/zinc/92/36/36/342923636.db2.gz WUIZVWGEOMKKQE-UHFFFAOYSA-N 0 0 239.343 3.512 10 30 BHEERN FC(F)(F)c1cncc(C#Cc2ccccc2)c1 ZINC000116293240 409668026 /nfs/dbraw/zinc/66/80/26/409668026.db2.gz PYNLAUFDXLQJEM-UHFFFAOYSA-N 0 0 247.219 3.500 10 30 BHEERN CCc1c2ccsc2c(C)cc1OCC#N ZINC000116344062 344729423 /nfs/dbraw/zinc/72/94/23/344729423.db2.gz ZOBPYYMCKMETHF-UHFFFAOYSA-N 0 0 231.320 3.675 10 30 BHEERN C=C(C)c1ccc(OCc2ccccc2)cn1 ZINC000116401062 370767299 /nfs/dbraw/zinc/76/72/99/370767299.db2.gz BPYVMCJBDIQXDD-UHFFFAOYSA-N 0 0 225.291 3.694 10 30 BHEERN N#Cc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000116653869 342931359 /nfs/dbraw/zinc/93/13/59/342931359.db2.gz AMEDCWFRHRYVBY-UHFFFAOYSA-N 0 0 245.285 3.615 10 30 BHEERN C=C1CCC(COCc2ccccc2)CC1 ZINC000116884713 370850204 /nfs/dbraw/zinc/85/02/04/370850204.db2.gz DPVFQJDQJZUFMD-UHFFFAOYSA-N 0 0 216.324 3.950 10 30 BHEERN N#Cc1ccc(-c2cc(-c3ccccc3)no2)cc1 ZINC000117138940 342945334 /nfs/dbraw/zinc/94/53/34/342945334.db2.gz WTLKWFCKLANCEC-UHFFFAOYSA-N 0 0 246.269 3.880 10 30 BHEERN N#Cc1ccc(-c2cc(-c3ccccc3)on2)cc1 ZINC000117154717 342947434 /nfs/dbraw/zinc/94/74/34/342947434.db2.gz MGWCYJVJQRSTBW-UHFFFAOYSA-N 0 0 246.269 3.880 10 30 BHEERN CCCCCCCc1cc(F)ccc1N ZINC000117358947 347170461 /nfs/dbraw/zinc/17/04/61/347170461.db2.gz QRWCQTDGPRDCDD-UHFFFAOYSA-N 0 0 209.308 3.921 10 30 BHEERN N#Cc1cc(-c2cccc(C(F)(F)F)c2)ccn1 ZINC000117575565 370934972 /nfs/dbraw/zinc/93/49/72/370934972.db2.gz XTEGVOYCKWQTJQ-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN N#Cc1cc(-c2ccccc2C(F)(F)F)ccn1 ZINC000117576414 370934659 /nfs/dbraw/zinc/93/46/59/370934659.db2.gz DHYFUAYZWCJVHJ-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN C[C@@H]1CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@]31CO1 ZINC000117585046 368342745 /nfs/dbraw/zinc/34/27/45/368342745.db2.gz JOFOGAWAGWXVMG-RKEKIRQTSA-N 0 0 220.356 3.628 10 30 BHEERN C[C@@H]1CC[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@]31CO1 ZINC000117585049 368342778 /nfs/dbraw/zinc/34/27/78/368342778.db2.gz JOFOGAWAGWXVMG-MUGBGTHKSA-N 0 0 220.356 3.628 10 30 BHEERN CC(C)=CC(=O)c1ccc2ccccc2c1 ZINC000117873351 343019347 /nfs/dbraw/zinc/01/93/47/343019347.db2.gz MBQUUMGSOLWKEY-UHFFFAOYSA-N 0 0 210.276 3.989 10 30 BHEERN Cc1cc(C)c(-c2cccc(CC#N)n2)c(C)c1 ZINC000117941958 343024135 /nfs/dbraw/zinc/02/41/35/343024135.db2.gz NUADNHWHSSKUGR-UHFFFAOYSA-N 0 0 236.318 3.740 10 30 BHEERN CCc1cc(OCc2ccccc2)ccc1C#N ZINC000118117919 343040016 /nfs/dbraw/zinc/04/00/16/343040016.db2.gz JBSBTEMVBDQUMT-UHFFFAOYSA-N 0 0 237.302 3.700 10 30 BHEERN C=CCC(CC=C)c1ccc2c(c1)OCO2 ZINC000118247785 343045656 /nfs/dbraw/zinc/04/56/56/343045656.db2.gz OLOLJZWQLJXOHG-UHFFFAOYSA-N 0 0 216.280 3.651 10 30 BHEERN CC1(C)CCC(C)(C)c2cc(C#N)ccc21 ZINC000118346793 368344894 /nfs/dbraw/zinc/34/48/94/368344894.db2.gz MHTZJQCDPRSBKF-UHFFFAOYSA-N 0 0 213.324 3.907 10 30 BHEERN CC[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000118367734 170915324 /nfs/dbraw/zinc/91/53/24/170915324.db2.gz BLQJQHJQDDCSEO-OAHLLOKOSA-N 0 0 237.306 3.516 10 30 BHEERN CC[C@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000118367737 171550583 /nfs/dbraw/zinc/55/05/83/171550583.db2.gz BLQJQHJQDDCSEO-HNNXBMFYSA-N 0 0 237.306 3.516 10 30 BHEERN C=CCc1ccc(Br)c(Cl)c1 ZINC000118578664 344557191 /nfs/dbraw/zinc/55/71/91/344557191.db2.gz CFVHZWVACMLLDV-UHFFFAOYSA-N 0 0 231.520 3.831 10 30 BHEERN C=C1Cc2ccc(OCc3ccccc3)cc21 ZINC000118612289 371042306 /nfs/dbraw/zinc/04/23/06/371042306.db2.gz UNWUKHNQUWXMER-UHFFFAOYSA-N 0 0 222.287 3.835 10 30 BHEERN C=C1CCN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000118663900 371048951 /nfs/dbraw/zinc/04/89/51/371048951.db2.gz SODGKNMSOWLWHW-UHFFFAOYSA-N 0 0 245.322 3.845 10 30 BHEERN CC1(C)c2ccccc2-c2ccc(C#N)cc21 ZINC000118701919 343052803 /nfs/dbraw/zinc/05/28/03/343052803.db2.gz JSISIFNXLUGFSV-UHFFFAOYSA-N 0 0 219.287 3.865 10 30 BHEERN COc1ccc([C@@H](S)c2ccccc2)cc1 ZINC000118889879 589203080 /nfs/dbraw/zinc/20/30/80/589203080.db2.gz SJVIKHDJMVEMMJ-AWEZNQCLSA-N 0 0 230.332 3.714 10 30 BHEERN COc1ccc([C@H](S)c2ccccc2)cc1 ZINC000118889881 589203224 /nfs/dbraw/zinc/20/32/24/589203224.db2.gz SJVIKHDJMVEMMJ-CQSZACIVSA-N 0 0 230.332 3.714 10 30 BHEERN CCC(F)(F)/C(F)=C(\F)C(F)(F)F ZINC000118907047 344832200 /nfs/dbraw/zinc/83/22/00/344832200.db2.gz VMAQWIWYDVTELO-ONEGZZNKSA-N 0 0 210.092 3.745 10 30 BHEERN C[C@H](NCC#N)c1ccc(-c2ccccc2)cc1 ZINC000120098231 345363549 /nfs/dbraw/zinc/36/35/49/345363549.db2.gz XLDAISTTXTXLEP-ZDUSSCGKSA-N 0 0 236.318 3.528 10 30 BHEERN C[C@@H](NCC#N)c1ccc(-c2ccccc2)cc1 ZINC000120098375 345411242 /nfs/dbraw/zinc/41/12/42/345411242.db2.gz XLDAISTTXTXLEP-CYBMUJFWSA-N 0 0 236.318 3.528 10 30 BHEERN N#Cc1c(F)cccc1-c1c(F)cccc1F ZINC000122175240 362939550 /nfs/dbraw/zinc/93/95/50/362939550.db2.gz LHGXOCKGLPICHM-UHFFFAOYSA-N 0 0 233.192 3.643 10 30 BHEERN C=CCC(CC=C)C(=O)NC1CCC(CC)CC1 ZINC000122650390 324051796 /nfs/dbraw/zinc/05/17/96/324051796.db2.gz CTHHRUPGZOSJBJ-UHFFFAOYSA-N 0 0 249.398 3.840 10 30 BHEERN C/C=C/CCNc1ccc(Cl)cc1C#N ZINC000123771085 384696465 /nfs/dbraw/zinc/69/64/65/384696465.db2.gz IDDOKFKTRMMZFZ-NSCUHMNNSA-N 0 0 220.703 3.590 10 30 BHEERN C/C=C/CCNc1ccc(C#N)c(Cl)c1 ZINC000123771338 187326768 /nfs/dbraw/zinc/32/67/68/187326768.db2.gz ZFQOONHUTUSOIX-NSCUHMNNSA-N 0 0 220.703 3.590 10 30 BHEERN C/C=C/CCNc1cc(Cl)ccc1C#N ZINC000124671427 388752778 /nfs/dbraw/zinc/75/27/78/388752778.db2.gz JOBGSAMVHGLGMV-NSCUHMNNSA-N 0 0 220.703 3.590 10 30 BHEERN C=CCCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000125255340 358535369 /nfs/dbraw/zinc/53/53/69/358535369.db2.gz KMQLDGFFUTXWIP-DOMZBBRYSA-N 0 0 243.350 3.707 10 30 BHEERN C=CCCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125255532 358535928 /nfs/dbraw/zinc/53/59/28/358535928.db2.gz KMQLDGFFUTXWIP-WFASDCNBSA-N 0 0 243.350 3.707 10 30 BHEERN C=CCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000125255754 358535530 /nfs/dbraw/zinc/53/55/30/358535530.db2.gz KMQLDGFFUTXWIP-IUODEOHRSA-N 0 0 243.350 3.707 10 30 BHEERN C=CCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125255975 358535315 /nfs/dbraw/zinc/53/53/15/358535315.db2.gz KMQLDGFFUTXWIP-SWLSCSKDSA-N 0 0 243.350 3.707 10 30 BHEERN CCCCCCCCCCC(=O)N[C@H](C)C#N ZINC000125299135 590160892 /nfs/dbraw/zinc/16/08/92/590160892.db2.gz KDNSMURTCQJIPY-CYBMUJFWSA-N 0 0 238.375 3.545 10 30 BHEERN Cc1cscc1NCc1cccc(C#N)c1 ZINC000125446674 324641341 /nfs/dbraw/zinc/64/13/41/324641341.db2.gz GLQIRIXTSNFVSL-UHFFFAOYSA-N 0 0 228.320 3.540 10 30 BHEERN Cc1cscc1NCc1ccc(C#N)cc1 ZINC000125455845 324641966 /nfs/dbraw/zinc/64/19/66/324641966.db2.gz WOUHIIZKSBXROU-UHFFFAOYSA-N 0 0 228.320 3.540 10 30 BHEERN Cc1cscc1NCc1ccc(C#N)s1 ZINC000125459009 371353640 /nfs/dbraw/zinc/35/36/40/371353640.db2.gz AYXJLPDNHZQQBA-UHFFFAOYSA-N 0 0 234.349 3.602 10 30 BHEERN Cc1cscc1NCc1cc(C#N)cs1 ZINC000125459993 388788380 /nfs/dbraw/zinc/78/83/80/388788380.db2.gz VXWXQUQOZLTNAA-UHFFFAOYSA-N 0 0 234.349 3.602 10 30 BHEERN CCCCCCCCn1cc[nH]c1=S ZINC000126709936 344182634 /nfs/dbraw/zinc/18/26/34/344182634.db2.gz JZIYHHHGDNUQTJ-UHFFFAOYSA-N 0 0 212.362 3.532 10 30 BHEERN C=CCC[C@@H](C)Nc1ccccc1COC ZINC000126903279 133642249 /nfs/dbraw/zinc/64/22/49/133642249.db2.gz JXVQXSBNBJMXQE-GFCCVEGCSA-N 0 0 219.328 3.600 10 30 BHEERN SCc1ccc(Cl)cc1Br ZINC000126951833 342806717 /nfs/dbraw/zinc/80/67/17/342806717.db2.gz FIAUVEWIJXLARV-UHFFFAOYSA-N 0 0 237.549 3.532 10 30 BHEERN CCCCCCCC(=O)N[C@@H](C)C(C)C ZINC000127648823 636654048 /nfs/dbraw/zinc/65/40/48/636654048.db2.gz SOHHLZCBYVODOV-LBPRGKRZSA-N 0 0 213.365 3.508 10 30 BHEERN CCCCCCCC(=O)N[C@H](C)C(C)C ZINC000127649066 636654507 /nfs/dbraw/zinc/65/45/07/636654507.db2.gz SOHHLZCBYVODOV-GFCCVEGCSA-N 0 0 213.365 3.508 10 30 BHEERN C=CCCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127913809 136226707 /nfs/dbraw/zinc/22/67/07/136226707.db2.gz WUBZUPLQGSGUFG-ZDUSSCGKSA-N 0 0 247.338 3.608 10 30 BHEERN C=CCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127914034 323174220 /nfs/dbraw/zinc/17/42/20/323174220.db2.gz WUBZUPLQGSGUFG-CYBMUJFWSA-N 0 0 247.338 3.608 10 30 BHEERN C=CCC(=O)c1cc(Cl)ccc1Cl ZINC000128149753 345291725 /nfs/dbraw/zinc/29/17/25/345291725.db2.gz XTLKWVWRRFVBAR-UHFFFAOYSA-N 0 0 215.079 3.752 10 30 BHEERN C=C[C@H](CC(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000128529495 353289030 /nfs/dbraw/zinc/28/90/30/353289030.db2.gz AYUIXGSNMTYFKE-ZIAGYGMSSA-N 0 0 245.366 3.507 10 30 BHEERN C=C[C@H](CC(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000128529698 353288949 /nfs/dbraw/zinc/28/89/49/353288949.db2.gz AYUIXGSNMTYFKE-UONOGXRCSA-N 0 0 245.366 3.507 10 30 BHEERN C=C[C@@H](CC(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000128529944 353289908 /nfs/dbraw/zinc/28/99/08/353289908.db2.gz AYUIXGSNMTYFKE-KGLIPLIRSA-N 0 0 245.366 3.507 10 30 BHEERN C=C[C@@H](CC(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000128530187 353289865 /nfs/dbraw/zinc/28/98/65/353289865.db2.gz AYUIXGSNMTYFKE-KBPBESRZSA-N 0 0 245.366 3.507 10 30 BHEERN CC[C@H](Nc1ccc(C#N)nc1)c1cccs1 ZINC000129199023 385737789 /nfs/dbraw/zinc/73/77/89/385737789.db2.gz DOBUFNNRIIOVLE-LBPRGKRZSA-N 0 0 243.335 3.578 10 30 BHEERN CC[C@@H](Nc1ccc(C#N)nc1)c1cccs1 ZINC000129199261 353314627 /nfs/dbraw/zinc/31/46/27/353314627.db2.gz DOBUFNNRIIOVLE-GFCCVEGCSA-N 0 0 243.335 3.578 10 30 BHEERN N#C[C@@H](SC1CCCC1)C1CCCC1 ZINC000129597282 345259674 /nfs/dbraw/zinc/25/96/74/345259674.db2.gz JYZNFLUAYFQYSD-GFCCVEGCSA-N 0 0 209.358 3.745 10 30 BHEERN N#C[C@H](SC1CCCC1)C1CCCC1 ZINC000129597506 345259921 /nfs/dbraw/zinc/25/99/21/345259921.db2.gz JYZNFLUAYFQYSD-LBPRGKRZSA-N 0 0 209.358 3.745 10 30 BHEERN C=CCC[C@H](C)Nc1cccc(-n2cccn2)c1 ZINC000130639915 325076079 /nfs/dbraw/zinc/07/60/79/325076079.db2.gz ZHAGKTQERFUGMF-ZDUSSCGKSA-N 0 0 241.338 3.639 10 30 BHEERN C=CCC[C@@H](C)Nc1cccc(-n2cccn2)c1 ZINC000130640133 325076429 /nfs/dbraw/zinc/07/64/29/325076429.db2.gz ZHAGKTQERFUGMF-CYBMUJFWSA-N 0 0 241.338 3.639 10 30 BHEERN C=C(C)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000131283172 371581008 /nfs/dbraw/zinc/58/10/08/371581008.db2.gz RVWMRPRGKAWDHP-JTQLQIEISA-N 0 0 216.111 3.569 10 30 BHEERN C=C(C)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000131283342 371580832 /nfs/dbraw/zinc/58/08/32/371580832.db2.gz RVWMRPRGKAWDHP-SNVBAGLBSA-N 0 0 216.111 3.569 10 30 BHEERN C=C(Cl)CNc1ccc(F)c(Cl)c1 ZINC000131705403 353371227 /nfs/dbraw/zinc/37/12/27/353371227.db2.gz ZKRYHKRZQMFMQP-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN Cc1ccc(Sc2ccc(N)c(C#N)c2)cc1 ZINC000131726258 371659832 /nfs/dbraw/zinc/65/98/32/371659832.db2.gz PDZYHHHUZHLLIF-UHFFFAOYSA-N 0 0 240.331 3.600 10 30 BHEERN N#CC(F)(F)c1ccc(Cl)cc1Cl ZINC000131729753 371662805 /nfs/dbraw/zinc/66/28/05/371662805.db2.gz QAOCWFCBHVHWQB-UHFFFAOYSA-N 0 0 222.021 3.609 10 30 BHEERN Cc1ccccc1Sc1ccc(N)c(C#N)c1 ZINC000131730907 371659583 /nfs/dbraw/zinc/65/95/83/371659583.db2.gz XXYHOIMJZIVVEV-UHFFFAOYSA-N 0 0 240.331 3.600 10 30 BHEERN Cc1cccc(Sc2ccc(N)c(C#N)c2)c1 ZINC000131731096 371659888 /nfs/dbraw/zinc/65/98/88/371659888.db2.gz NNDLPYUAFYPOAK-UHFFFAOYSA-N 0 0 240.331 3.600 10 30 BHEERN Cc1cc(Cl)c(N[C@@H](C)C#N)cc1Cl ZINC000132141230 371756822 /nfs/dbraw/zinc/75/68/22/371756822.db2.gz SEWLZSPKFOMBKJ-ZETCQYMHSA-N 0 0 229.110 3.626 10 30 BHEERN Cc1cc(Cl)c(N[C@H](C)C#N)cc1Cl ZINC000132141407 371757705 /nfs/dbraw/zinc/75/77/05/371757705.db2.gz SEWLZSPKFOMBKJ-SSDOTTSWSA-N 0 0 229.110 3.626 10 30 BHEERN C[C@H](S)c1cc(Br)ccc1F ZINC000132151135 371756761 /nfs/dbraw/zinc/75/67/61/371756761.db2.gz FQJWPXRKRYIORQ-YFKPBYRVSA-N 0 0 235.121 3.579 10 30 BHEERN C[C@@H](S)c1cc(Br)ccc1F ZINC000132151304 371757776 /nfs/dbraw/zinc/75/77/76/371757776.db2.gz FQJWPXRKRYIORQ-RXMQYKEDSA-N 0 0 235.121 3.579 10 30 BHEERN C[C@H](S)c1ccc(Br)cc1F ZINC000132151555 371756916 /nfs/dbraw/zinc/75/69/16/371756916.db2.gz WXZSMNZBHRMDIZ-YFKPBYRVSA-N 0 0 235.121 3.579 10 30 BHEERN C[C@@H](S)c1ccc(Br)cc1F ZINC000132151708 371757833 /nfs/dbraw/zinc/75/78/33/371757833.db2.gz WXZSMNZBHRMDIZ-RXMQYKEDSA-N 0 0 235.121 3.579 10 30 BHEERN C=CCNc1cc(Cl)c(C)cc1Cl ZINC000132155044 371756974 /nfs/dbraw/zinc/75/69/74/371756974.db2.gz NALRJGQNVUNQHZ-UHFFFAOYSA-N 0 0 216.111 3.900 10 30 BHEERN C=CC[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000132228465 371770564 /nfs/dbraw/zinc/77/05/64/371770564.db2.gz RDRPXRMUVSFOJJ-SECBINFHSA-N 0 0 227.760 3.555 10 30 BHEERN C=CC[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000132228657 371770160 /nfs/dbraw/zinc/77/01/60/371770160.db2.gz RDRPXRMUVSFOJJ-VIFPVBQESA-N 0 0 227.760 3.555 10 30 BHEERN Cc1occc1Sc1cc(C)nc(C)c1C#N ZINC000133046714 178219495 /nfs/dbraw/zinc/21/94/95/178219495.db2.gz RSCHLRACMMIPAS-UHFFFAOYSA-N 0 0 244.319 3.623 10 30 BHEERN CC#CCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000133092152 371986467 /nfs/dbraw/zinc/98/64/67/371986467.db2.gz WLUYPTBALSFGMM-UHFFFAOYSA-N 0 0 227.090 3.590 10 30 BHEERN C#CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000133093559 398322178 /nfs/dbraw/zinc/32/21/78/398322178.db2.gz OJNOTKBNQDDOQK-UHFFFAOYSA-N 0 0 227.090 3.590 10 30 BHEERN C[C@H](Nc1cccc(F)c1C#N)C(C)(C)C ZINC000133143625 398322865 /nfs/dbraw/zinc/32/28/65/398322865.db2.gz HVQIPPKFZSDLKD-VIFPVBQESA-N 0 0 220.291 3.544 10 30 BHEERN C[C@@H](Nc1cccc(F)c1C#N)C(C)(C)C ZINC000133143802 398322618 /nfs/dbraw/zinc/32/26/18/398322618.db2.gz HVQIPPKFZSDLKD-SECBINFHSA-N 0 0 220.291 3.544 10 30 BHEERN [N-]=[N+]=Nc1nc2ccc(Cl)cc2s1 ZINC000133988590 372145347 /nfs/dbraw/zinc/14/53/47/372145347.db2.gz NVDUWOPKMAHAEL-UHFFFAOYSA-N 0 0 210.649 3.892 10 30 BHEERN C=C(Cl)CNc1c(F)cccc1Cl ZINC000135247356 353550045 /nfs/dbraw/zinc/55/00/45/353550045.db2.gz QLUXDRRBSGTWKF-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN CC=CC(=O)c1cc2cc(F)ccc2s1 ZINC000135280136 344151336 /nfs/dbraw/zinc/15/13/36/344151336.db2.gz WTWZCUYWVFTMKJ-UHFFFAOYSA-N 0 0 220.268 3.799 10 30 BHEERN CCCCCC#CP(=O)(OCC)OCC ZINC000135792491 345788590 /nfs/dbraw/zinc/78/85/90/345788590.db2.gz WJGNICAEALFTPN-UHFFFAOYSA-N 0 0 232.260 3.794 10 30 BHEERN CC1(C)CCC(C)(C)c2cc(/C=N/O)ccc21 ZINC000135929538 345794972 /nfs/dbraw/zinc/79/49/72/345794972.db2.gz OUWRHDLKSIYOKE-MHWRWJLKSA-N 0 0 231.339 3.844 10 30 BHEERN CCCCCCCCC[C@@H](C#N)C(=O)OCC ZINC000136062700 345472531 /nfs/dbraw/zinc/47/25/31/345472531.db2.gz FOBYNXCSMJPIAD-ZDUSSCGKSA-N 0 0 239.359 3.830 10 30 BHEERN CCCCCCCCC[C@H](C#N)C(=O)OCC ZINC000136062721 345472569 /nfs/dbraw/zinc/47/25/69/345472569.db2.gz FOBYNXCSMJPIAD-CYBMUJFWSA-N 0 0 239.359 3.830 10 30 BHEERN C[C@@H](C#N)Oc1ccccc1-c1cccs1 ZINC000136291920 345811813 /nfs/dbraw/zinc/81/18/13/345811813.db2.gz MGMNXBXXMDGBEX-JTQLQIEISA-N 0 0 229.304 3.706 10 30 BHEERN C[C@H](C#N)Oc1ccccc1-c1cccs1 ZINC000136291961 345811877 /nfs/dbraw/zinc/81/18/77/345811877.db2.gz MGMNXBXXMDGBEX-SNVBAGLBSA-N 0 0 229.304 3.706 10 30 BHEERN C=C(CCCCCC)P(=O)(OC)OC ZINC000136313692 345816143 /nfs/dbraw/zinc/81/61/43/345816143.db2.gz YTVSRKBGOSAAAS-UHFFFAOYSA-N 0 0 220.249 3.956 10 30 BHEERN COc1cc2oc3ccc(C#N)cc3c2cc1F ZINC000136503053 345814738 /nfs/dbraw/zinc/81/47/38/345814738.db2.gz DFWDDQPGJVGYNC-UHFFFAOYSA-N 0 0 241.221 3.605 10 30 BHEERN CCCCCCCc1c(C)onc1OCC ZINC000136707945 345818896 /nfs/dbraw/zinc/81/88/96/345818896.db2.gz AYQKZPRCUTXWLN-UHFFFAOYSA-N 0 0 225.332 3.895 10 30 BHEERN C=CCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000136753771 343197534 /nfs/dbraw/zinc/19/75/34/343197534.db2.gz QIBCEWBPIZGQTG-UHFFFAOYSA-N 0 0 228.213 3.854 10 30 BHEERN Cc1ccc(-c2ccccc2O[C@@H](C)C#N)cc1 ZINC000136765445 345820393 /nfs/dbraw/zinc/82/03/93/345820393.db2.gz MAWVNMDZTLWQJE-ZDUSSCGKSA-N 0 0 237.302 3.953 10 30 BHEERN Cc1ccc(-c2ccccc2O[C@H](C)C#N)cc1 ZINC000136765491 345820113 /nfs/dbraw/zinc/82/01/13/345820113.db2.gz MAWVNMDZTLWQJE-CYBMUJFWSA-N 0 0 237.302 3.953 10 30 BHEERN CCCCCCCc1cccc(CO)c1 ZINC000136875997 345823321 /nfs/dbraw/zinc/82/33/21/345823321.db2.gz JHTPDSDACKAKFU-UHFFFAOYSA-N 0 0 206.329 3.692 10 30 BHEERN N#Cc1c2ccccc2nc2cc(Cl)ccc12 ZINC000137050887 351276719 /nfs/dbraw/zinc/27/67/19/351276719.db2.gz KSRVWOZXYRLMRC-UHFFFAOYSA-N 0 0 238.677 3.913 10 30 BHEERN C=CCOc1ccc2ccc(OCC=C)cc2c1 ZINC000137096208 351300940 /nfs/dbraw/zinc/30/09/40/351300940.db2.gz OQIDRLSMDFDHAN-UHFFFAOYSA-N 0 0 240.302 3.969 10 30 BHEERN C=CC(=O)c1cccc(OCc2ccccc2)c1 ZINC000137151643 351332085 /nfs/dbraw/zinc/33/20/85/351332085.db2.gz SQZKISCCBFTCRP-UHFFFAOYSA-N 0 0 238.286 3.634 10 30 BHEERN SCc1ccc(Cl)c(Br)c1 ZINC000137306659 351394411 /nfs/dbraw/zinc/39/44/11/351394411.db2.gz XBIKNJDKTWNVNB-UHFFFAOYSA-N 0 0 237.549 3.532 10 30 BHEERN N#Cc1ccc2c(c1)C=CC1(CCCCC1)O2 ZINC000137349072 345842632 /nfs/dbraw/zinc/84/26/32/345842632.db2.gz IVMGGAAPVRWIAC-UHFFFAOYSA-N 0 0 225.291 3.667 10 30 BHEERN C(#Cc1ccc2cc[nH]c2c1)c1ccccc1 ZINC000137396640 353780346 /nfs/dbraw/zinc/78/03/46/353780346.db2.gz IUVDCRXBUWQWSY-UHFFFAOYSA-N 0 0 217.271 3.568 10 30 BHEERN CCCCCCCN(C)c1ccc(CCO)cc1 ZINC000137557088 345848765 /nfs/dbraw/zinc/84/87/65/345848765.db2.gz SCTWRHPAHDZXDI-UHFFFAOYSA-N 0 0 249.398 3.628 10 30 BHEERN C=C(C)C(=O)OCCCCCCC(C)C ZINC000137578291 357056418 /nfs/dbraw/zinc/05/64/18/357056418.db2.gz XFZOHDFQOOTHRH-UHFFFAOYSA-N 0 0 212.333 3.712 10 30 BHEERN CCCCCCCCCC[C@@H](F)CO ZINC000137599283 345847173 /nfs/dbraw/zinc/84/71/73/345847173.db2.gz PYMZAXRFSIFPKK-GFCCVEGCSA-N 0 0 204.329 3.848 10 30 BHEERN N#CCCCCCCOCc1ccccc1 ZINC000137728357 345849345 /nfs/dbraw/zinc/84/93/45/345849345.db2.gz CEOBSBCDYYQVAP-UHFFFAOYSA-N 0 0 217.312 3.677 10 30 BHEERN CCCCCCCCC1(C)OCCO1 ZINC000137754943 345692829 /nfs/dbraw/zinc/69/28/29/345692829.db2.gz VCASYVGOHUBVEK-UHFFFAOYSA-N 0 0 200.322 3.500 10 30 BHEERN COc1ccc(/C=C/c2ccc(C#N)cc2)cc1 ZINC000137893700 345850518 /nfs/dbraw/zinc/85/05/18/345850518.db2.gz KJLAYIXDHDQWMY-NSCUHMNNSA-N 0 0 235.286 3.737 10 30 BHEERN Fc1c(F)c(C(F)(F)F)ccc1C(F)F ZINC000138096012 360006637 /nfs/dbraw/zinc/00/66/37/360006637.db2.gz FESPOKHHXITUCZ-UHFFFAOYSA-N 0 0 232.098 3.921 10 30 BHEERN COc1c(F)cccc1C1(C#N)CCCCC1 ZINC000138096955 345724872 /nfs/dbraw/zinc/72/48/72/345724872.db2.gz XWWWNPRWIPGXHE-UHFFFAOYSA-N 0 0 233.286 3.560 10 30 BHEERN CCCCCCCCC[C@@H]1C=CC(=O)O1 ZINC000138097703 345724890 /nfs/dbraw/zinc/72/48/90/345724890.db2.gz NOSYWYYBOOZFKS-GFCCVEGCSA-N 0 0 210.317 3.609 10 30 BHEERN CCCCCCCCC[C@H]1C=CC(=O)O1 ZINC000138097799 345804868 /nfs/dbraw/zinc/80/48/68/345804868.db2.gz NOSYWYYBOOZFKS-LBPRGKRZSA-N 0 0 210.317 3.609 10 30 BHEERN FC(F)=Cc1c(F)c(F)c(F)c(F)c1F ZINC000138125646 345805051 /nfs/dbraw/zinc/80/50/51/345805051.db2.gz IRMJJBVFZGNWPY-UHFFFAOYSA-N 0 0 230.082 3.620 10 30 BHEERN CCCCCCCN(C)c1ccccc1O ZINC000138582454 342919861 /nfs/dbraw/zinc/91/98/61/342919861.db2.gz HHEKRZTXOSSZBB-UHFFFAOYSA-N 0 0 221.344 3.799 10 30 BHEERN CCCCCCCC(=O)c1ccc(CCO)cc1 ZINC000138868512 361179693 /nfs/dbraw/zinc/17/96/93/361179693.db2.gz SMEKUNROPXNPGN-UHFFFAOYSA-N 0 0 248.366 3.765 10 30 BHEERN C=C[C@H](C)[C@@]1(O)C[C@@H](C)CC[C@@H]1C(C)C ZINC000139081857 343277498 /nfs/dbraw/zinc/27/74/98/343277498.db2.gz WCMAEEUFQIRPIB-FQUUOJAGSA-N 0 0 210.361 3.632 10 30 BHEERN Fc1ccc(COc2ccc(CS)cc2)cc1 ZINC000139122902 345807641 /nfs/dbraw/zinc/80/76/41/345807641.db2.gz LIQUREZETBDODS-UHFFFAOYSA-N 0 0 248.322 3.835 10 30 BHEERN Cc1ccc(C)c(OCCCC(C)(C)C=O)c1 ZINC000139264417 345794212 /nfs/dbraw/zinc/79/42/12/345794212.db2.gz RKXNISLDHPNUAE-UHFFFAOYSA-N 0 0 234.339 3.688 10 30 BHEERN CCCCCCC/C=C/COCOC ZINC000139388403 343316606 /nfs/dbraw/zinc/31/66/06/343316606.db2.gz LYQHBQBJOOBJBD-MDZDMXLPSA-N 0 0 200.322 3.524 10 30 BHEERN CCc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000139491444 345797259 /nfs/dbraw/zinc/79/72/59/345797259.db2.gz BBXQKNCMQKUZIX-UHFFFAOYSA-N 0 0 246.125 3.824 10 30 BHEERN N#CCN1c2ccccc2C=Cc2ccccc21 ZINC000139630854 345808909 /nfs/dbraw/zinc/80/89/09/345808909.db2.gz DEZAFWQPXPVYQQ-UHFFFAOYSA-N 0 0 232.286 3.832 10 30 BHEERN CC(C)c1ccc(-c2cccc(C#N)c2)cn1 ZINC000139866750 343067864 /nfs/dbraw/zinc/06/78/64/343067864.db2.gz QCAKXKJAUSIWKB-UHFFFAOYSA-N 0 0 222.291 3.744 10 30 BHEERN Cc1cc(-c2cccc(C#N)c2)cc(C2CC2)n1 ZINC000139868022 345242855 /nfs/dbraw/zinc/24/28/55/345242855.db2.gz DUJMAOVDRZOHGE-UHFFFAOYSA-N 0 0 234.302 3.806 10 30 BHEERN Cc1cc(C2CC2)ncc1-c1cccc(C#N)c1 ZINC000139895557 343067932 /nfs/dbraw/zinc/06/79/32/343067932.db2.gz VXSVLEURSYPABD-UHFFFAOYSA-N 0 0 234.302 3.806 10 30 BHEERN C[C@@H](C#N)Oc1cccc(-c2ccccc2)c1 ZINC000140127461 345852938 /nfs/dbraw/zinc/85/29/38/345852938.db2.gz MILFKISDRQTDEE-LBPRGKRZSA-N 0 0 223.275 3.644 10 30 BHEERN C[C@H](C#N)Oc1cccc(-c2ccccc2)c1 ZINC000140127594 345852644 /nfs/dbraw/zinc/85/26/44/345852644.db2.gz MILFKISDRQTDEE-GFCCVEGCSA-N 0 0 223.275 3.644 10 30 BHEERN CC(C)(C)c1[nH]c2ccccc2c1CC#N ZINC000140133456 353112696 /nfs/dbraw/zinc/11/26/96/353112696.db2.gz IFFONCTXPIAFCY-UHFFFAOYSA-N 0 0 212.296 3.531 10 30 BHEERN CCCCCCCCCCC[N+](C)(C)[O-] ZINC000140297249 372565017 /nfs/dbraw/zinc/56/50/17/372565017.db2.gz BWNIVDWRKWBXCF-UHFFFAOYSA-N 0 0 216.389 3.983 10 30 BHEERN C[C@@H](C#N)Oc1ccccc1-c1cccc(F)c1 ZINC000140367132 345854234 /nfs/dbraw/zinc/85/42/34/345854234.db2.gz NWDBQYUVQAMHAG-NSHDSACASA-N 0 0 241.265 3.784 10 30 BHEERN C[C@H](C#N)Oc1ccccc1-c1cccc(F)c1 ZINC000140367304 345854337 /nfs/dbraw/zinc/85/43/37/345854337.db2.gz NWDBQYUVQAMHAG-LLVKDONJSA-N 0 0 241.265 3.784 10 30 BHEERN O=C1CCCC=C1c1ccc(C(F)(F)F)cc1 ZINC000140427865 345854995 /nfs/dbraw/zinc/85/49/95/345854995.db2.gz KTUVEHQMXPERPO-UHFFFAOYSA-N 0 0 240.224 3.842 10 30 BHEERN C=C(C)Cc1c(F)c(F)c(F)c(F)c1F ZINC000140579125 345856177 /nfs/dbraw/zinc/85/61/77/345856177.db2.gz OHUTZKUDJJPITJ-UHFFFAOYSA-N 0 0 222.156 3.501 10 30 BHEERN Cc1ccsc1/C(=N\O)c1ccccc1C ZINC000140647126 345815725 /nfs/dbraw/zinc/81/57/25/345815725.db2.gz IJHLLQSUHSVDDX-OWBHPGMISA-N 0 0 231.320 3.592 10 30 BHEERN N#Cc1cc(Cc2cc(F)cc(F)c2)ccc1F ZINC000140715280 343078596 /nfs/dbraw/zinc/07/85/96/343078596.db2.gz RWGYBBYLYLUHJF-UHFFFAOYSA-N 0 0 247.219 3.566 10 30 BHEERN C=CCOc1cccc(-c2ccccc2)c1 ZINC000140764969 372782588 /nfs/dbraw/zinc/78/25/88/372782588.db2.gz DEUSYQAAFHYUQL-UHFFFAOYSA-N 0 0 210.276 3.918 10 30 BHEERN CC(=O)/C(C)=C/c1ccc(C(F)(F)F)cc1 ZINC000140847963 359586329 /nfs/dbraw/zinc/58/63/29/359586329.db2.gz VYLPGSKBAOAWNE-BQYQJAHWSA-N 0 0 228.213 3.698 10 30 BHEERN CC(=O)/C=C/c1cc(Cl)sc1Cl ZINC000140867879 343564144 /nfs/dbraw/zinc/56/41/44/343564144.db2.gz STDQEPCCWVJZBB-NSCUHMNNSA-N 0 0 221.108 3.657 10 30 BHEERN C=CC(=O)c1ccccc1-c1ccccc1 ZINC000140993872 344380059 /nfs/dbraw/zinc/38/00/59/344380059.db2.gz AGVOELAKCPSYJP-UHFFFAOYSA-N 0 0 208.260 3.722 10 30 BHEERN CCCCCCCCc1ccccc(OC)c1=O ZINC000140997320 345828028 /nfs/dbraw/zinc/82/80/28/345828028.db2.gz ACABVHYVVWOSQG-UHFFFAOYSA-N 0 0 248.366 3.958 10 30 BHEERN N#CCc1ccc2ccccc2c1Cl ZINC000141274287 343692148 /nfs/dbraw/zinc/69/21/48/343692148.db2.gz RFZXGFNZXUATFO-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN CC[C@@H](C=O)c1ccc(Cl)cc1Cl ZINC000141382345 372939478 /nfs/dbraw/zinc/93/94/78/372939478.db2.gz SXLFGCQCGAACIS-ZETCQYMHSA-N 0 0 217.095 3.686 10 30 BHEERN CC[C@H](C=O)c1ccc(Cl)cc1Cl ZINC000141382538 343736411 /nfs/dbraw/zinc/73/64/11/343736411.db2.gz SXLFGCQCGAACIS-SSDOTTSWSA-N 0 0 217.095 3.686 10 30 BHEERN C=C(C)c1cc2cc(OC)ccc2s1 ZINC000141650539 343890220 /nfs/dbraw/zinc/89/02/20/343890220.db2.gz SRILJKOZJWMPEZ-UHFFFAOYSA-N 0 0 204.294 3.943 10 30 BHEERN N#CCc1cc2ccccc2cc1Br ZINC000141783895 373031594 /nfs/dbraw/zinc/03/15/94/373031594.db2.gz KKOTXYOKASVYHF-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN N#CCc1cc(Br)cc2ccccc21 ZINC000141784105 343983158 /nfs/dbraw/zinc/98/31/58/343983158.db2.gz BFLVLWQDPMYUCU-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN C=CCCCC/C=C\I ZINC000141836912 538109941 /nfs/dbraw/zinc/10/99/41/538109941.db2.gz CPRUCZLOZNTPAA-FPLPWBNLSA-N 0 0 236.096 3.682 10 30 BHEERN C=CCCCC/C=C/I ZINC000141837139 538109943 /nfs/dbraw/zinc/10/99/43/538109943.db2.gz CPRUCZLOZNTPAA-BQYQJAHWSA-N 0 0 236.096 3.682 10 30 BHEERN CC(=O)/C=C\c1cc(Cl)cc(Cl)c1 ZINC000141844881 373051048 /nfs/dbraw/zinc/05/10/48/373051048.db2.gz HUFNZQXJULCVSL-IHWYPQMZSA-N 0 0 215.079 3.596 10 30 BHEERN C#CCCC/C=C/P(=O)(OCC)OCC ZINC000141937390 345860294 /nfs/dbraw/zinc/86/02/94/345860294.db2.gz FFXGFWFGEYMTAK-ZHACJKMWSA-N 0 0 230.244 3.570 10 30 BHEERN C=CCc1c(O)cccc1-c1ccccc1 ZINC000142015337 344327199 /nfs/dbraw/zinc/32/71/99/344327199.db2.gz OQMVHJJHGMHXJS-UHFFFAOYSA-N 0 0 210.276 3.788 10 30 BHEERN C[C@H]1CC=C(C(=O)c2ccccc2)CC1 ZINC000142202726 373112867 /nfs/dbraw/zinc/11/28/67/373112867.db2.gz XDQJWWCHAUQPNJ-NSHDSACASA-N 0 0 200.281 3.616 10 30 BHEERN C[C@@H]1CC=C(C(=O)c2ccccc2)CC1 ZINC000142202934 373112061 /nfs/dbraw/zinc/11/20/61/373112061.db2.gz XDQJWWCHAUQPNJ-LLVKDONJSA-N 0 0 200.281 3.616 10 30 BHEERN CC/C(=N\O)c1ccc(-c2ccccc2)cc1 ZINC000142206141 345861883 /nfs/dbraw/zinc/86/18/83/345861883.db2.gz FKWDNCJZQWBSTD-FOCLMDBBSA-N 0 0 225.291 3.942 10 30 BHEERN CCCC#Cc1ccccc1Br ZINC000142320921 344290040 /nfs/dbraw/zinc/29/00/40/344290040.db2.gz MIHGHJYKIRLHEG-UHFFFAOYSA-N 0 0 223.113 3.601 10 30 BHEERN N#Cc1cccc(C(F)(F)F)c1C(F)(F)F ZINC000142814338 364648350 /nfs/dbraw/zinc/64/83/50/364648350.db2.gz SKJIOOPBFWKGTR-UHFFFAOYSA-N 0 0 239.118 3.596 10 30 BHEERN N#Cc1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000142855342 345864547 /nfs/dbraw/zinc/86/45/47/345864547.db2.gz YEFHPBCMAPWLHN-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN N#Cc1cn(-c2ccccc2)c2ccccc12 ZINC000143103487 181161728 /nfs/dbraw/zinc/16/17/28/181161728.db2.gz NZSBDBGFKUZJMZ-UHFFFAOYSA-N 0 0 218.259 3.502 10 30 BHEERN C/C(=N\O)c1ccccc1-c1ccccc1 ZINC000143117344 374138353 /nfs/dbraw/zinc/13/83/53/374138353.db2.gz YSGJCEMVPRABPJ-RVDMUPIBSA-N 0 0 211.264 3.552 10 30 BHEERN N#Cc1c[nH]cc1-c1cccc(C(F)(F)F)c1 ZINC000143315524 368348121 /nfs/dbraw/zinc/34/81/21/368348121.db2.gz JYVKKFYETXXKAH-UHFFFAOYSA-N 0 0 236.196 3.572 10 30 BHEERN CCCCCCc1ccc(C(=O)C#N)cc1 ZINC000143393504 345865588 /nfs/dbraw/zinc/86/55/88/345865588.db2.gz POUKCUBJGDHLRY-UHFFFAOYSA-N 0 0 215.296 3.516 10 30 BHEERN N#Cc1ccc(C(F)(F)F)cc1-c1ccccn1 ZINC000143406920 345865616 /nfs/dbraw/zinc/86/56/16/345865616.db2.gz HUBGFMFYFLUVIW-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN CCCCCCCCCC[C@@H](CO)OCC ZINC000143499921 345902729 /nfs/dbraw/zinc/90/27/29/345902729.db2.gz HLEQAKSQGYADGY-AWEZNQCLSA-N 0 0 230.392 3.915 10 30 BHEERN CCCCCCCCCC[C@H](CO)OCC ZINC000143500055 345902968 /nfs/dbraw/zinc/90/29/68/345902968.db2.gz HLEQAKSQGYADGY-CQSZACIVSA-N 0 0 230.392 3.915 10 30 BHEERN Cc1ccc(-c2ccc(F)cc2C#N)cc1 ZINC000143717745 360521124 /nfs/dbraw/zinc/52/11/24/360521124.db2.gz LVZPMCXAPGNFGR-UHFFFAOYSA-N 0 0 211.239 3.673 10 30 BHEERN O=[N+]([O-])c1ccc(ON=C2CCCCCC2)cc1 ZINC000143754927 345912382 /nfs/dbraw/zinc/91/23/82/345912382.db2.gz IXUHSDGXIYTVBB-UHFFFAOYSA-N 0 0 248.282 3.684 10 30 BHEERN C=CCCCc1nccc(-c2ccccc2)n1 ZINC000144235721 343131483 /nfs/dbraw/zinc/13/14/83/343131483.db2.gz VMLXMLYXAMIJFT-UHFFFAOYSA-N 0 0 224.307 3.652 10 30 BHEERN C=C(c1cc(F)c(F)c(F)c1)C(F)(F)F ZINC000144442173 342737853 /nfs/dbraw/zinc/73/78/53/342737853.db2.gz HXRBPSMOYYFDHU-UHFFFAOYSA-N 0 0 226.119 3.679 10 30 BHEERN N#Cc1ccc(-c2[nH]c3ccccc3c2C=O)cc1 ZINC000145370412 342761261 /nfs/dbraw/zinc/76/12/61/342761261.db2.gz JAPGGLIDKHPWKA-UHFFFAOYSA-N 0 0 246.269 3.519 10 30 BHEERN CC(C)(C#N)c1cccc(C2(O)CCCCC2)c1 ZINC000145445883 345937444 /nfs/dbraw/zinc/93/74/44/345937444.db2.gz MYYMUWXAXFGYBZ-UHFFFAOYSA-N 0 0 243.350 3.639 10 30 BHEERN CCCCCCCCNc1ccnc2nccn21 ZINC000145487889 345938305 /nfs/dbraw/zinc/93/83/05/345938305.db2.gz DDLAMHPFKRMBFX-UHFFFAOYSA-N 0 0 246.358 3.502 10 30 BHEERN C=C(C)c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000145595223 343197522 /nfs/dbraw/zinc/19/75/22/343197522.db2.gz ORCITQBOFNLSPN-UHFFFAOYSA-N 0 0 218.296 3.675 10 30 BHEERN N#CCc1ccc(Cl)c(Cl)c1Cl ZINC000145896432 344988376 /nfs/dbraw/zinc/98/83/76/344988376.db2.gz FEWAAURGHSVADC-UHFFFAOYSA-N 0 0 220.486 3.713 10 30 BHEERN O=CCc1ccc(/C=C/c2ccccc2)cc1 ZINC000145899984 345945982 /nfs/dbraw/zinc/94/59/82/345945982.db2.gz OPCQXIUOMPTPCN-VOTSOKGWSA-N 0 0 222.287 3.598 10 30 BHEERN CCCCCCC/C(C)=C/C(=O)OCC ZINC000146414491 582882386 /nfs/dbraw/zinc/88/23/86/582882386.db2.gz COKIPLLOUFQFJJ-VAWYXSNFSA-N 0 0 212.333 3.856 10 30 BHEERN Cc1[nH]c(C2CC2)cc1-c1ccc(C#N)cc1 ZINC000146504941 342770651 /nfs/dbraw/zinc/77/06/51/342770651.db2.gz RPVGBIYSORKQOO-UHFFFAOYSA-N 0 0 222.291 3.739 10 30 BHEERN CCCCOc1cc(C(F)(F)F)ccc1C#N ZINC000146857377 342772848 /nfs/dbraw/zinc/77/28/48/342772848.db2.gz MQWQFFTVKXKPFH-UHFFFAOYSA-N 0 0 243.228 3.756 10 30 BHEERN CCCc1cc(-c2ccc(C#N)cc2)c(C)[nH]1 ZINC000147198575 342774220 /nfs/dbraw/zinc/77/42/20/342774220.db2.gz RKAPPGKAZVOJKQ-UHFFFAOYSA-N 0 0 224.307 3.814 10 30 BHEERN N#Cc1cccc(/C=C\c2ccccc2)c1 ZINC000147734890 342780067 /nfs/dbraw/zinc/78/00/67/342780067.db2.gz CWLWKFGHSCEUQB-KTKRTIGZSA-N 0 0 205.260 3.729 10 30 BHEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1cccc(F)c1 ZINC000147749072 488055358 /nfs/dbraw/zinc/05/53/58/488055358.db2.gz MDQVNCIOYLEHDY-CORIIIEPSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1cccc(F)c1 ZINC000147749278 488055289 /nfs/dbraw/zinc/05/52/89/488055289.db2.gz MDQVNCIOYLEHDY-WHOFXGATSA-N 0 0 246.329 3.559 10 30 BHEERN CCCc1[nH]c(C)c(-c2ccc(C#N)cc2)c1C#N ZINC000147757491 343379319 /nfs/dbraw/zinc/37/93/19/343379319.db2.gz UPMRJSVHKVQVRY-UHFFFAOYSA-N 0 0 249.317 3.686 10 30 BHEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1cccc(Cl)c1 ZINC000147922491 201054982 /nfs/dbraw/zinc/05/49/82/201054982.db2.gz DXGPMSFQICXYKH-VHRBIJSZSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1cccc(Cl)c1 ZINC000147922698 201054329 /nfs/dbraw/zinc/05/43/29/201054329.db2.gz DXGPMSFQICXYKH-JKOKRWQUSA-N 0 0 248.757 3.683 10 30 BHEERN Cc1[nH]c(C2CC2)c(C#N)c1-c1ccc(C#N)cc1 ZINC000148019066 342787612 /nfs/dbraw/zinc/78/76/12/342787612.db2.gz NQDFEUJSHLLRMP-UHFFFAOYSA-N 0 0 247.301 3.611 10 30 BHEERN CC[C@@](C)(C#N)c1ccc(Br)cc1 ZINC000148122646 346500738 /nfs/dbraw/zinc/50/07/38/346500738.db2.gz UGNUFTQQCKPGTK-NSHDSACASA-N 0 0 238.128 3.640 10 30 BHEERN CC[C@](C)(C#N)c1ccc(Br)cc1 ZINC000148122878 346500727 /nfs/dbraw/zinc/50/07/27/346500727.db2.gz UGNUFTQQCKPGTK-LLVKDONJSA-N 0 0 238.128 3.640 10 30 BHEERN Cc1cc(F)ccc1C1CCC(=NO)CC1 ZINC000148146962 346032799 /nfs/dbraw/zinc/03/27/99/346032799.db2.gz MVWMYCKTEPPWEV-UHFFFAOYSA-N 0 0 221.275 3.622 10 30 BHEERN C=CCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000148247139 368351131 /nfs/dbraw/zinc/35/11/31/368351131.db2.gz WRLFUFQUXZJPAX-GFCCVEGCSA-N 0 0 239.359 3.600 10 30 BHEERN C=CCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000148247321 368350441 /nfs/dbraw/zinc/35/04/41/368350441.db2.gz WRLFUFQUXZJPAX-LBPRGKRZSA-N 0 0 239.359 3.600 10 30 BHEERN C[C@@H](C#N)c1cccc(C(=O)c2cccs2)c1 ZINC000148529932 342791422 /nfs/dbraw/zinc/79/14/22/342791422.db2.gz KXOKULFTDSCOHB-JTQLQIEISA-N 0 0 241.315 3.606 10 30 BHEERN C[C@H](C#N)c1cccc(C(=O)c2cccs2)c1 ZINC000148530164 342791451 /nfs/dbraw/zinc/79/14/51/342791451.db2.gz KXOKULFTDSCOHB-SNVBAGLBSA-N 0 0 241.315 3.606 10 30 BHEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccccc1Cl ZINC000148782656 386953542 /nfs/dbraw/zinc/95/35/42/386953542.db2.gz FPSBZRIOSXABJO-COPLHBTASA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1ccccc1Cl ZINC000148782852 386955592 /nfs/dbraw/zinc/95/55/92/386955592.db2.gz FPSBZRIOSXABJO-MJVIPROJSA-N 0 0 248.757 3.683 10 30 BHEERN N#Cc1ccc(F)cc1Sc1cccc(F)c1 ZINC000149564125 343433517 /nfs/dbraw/zinc/43/35/17/343433517.db2.gz DAQPUWCOZYTINH-UHFFFAOYSA-N 0 0 247.269 3.988 10 30 BHEERN CCC1=C(c2ccc(F)cc2)[C@H](CC=O)CC1 ZINC000149785324 346155266 /nfs/dbraw/zinc/15/52/66/346155266.db2.gz YLPKGRMZSUVWQL-ZDUSSCGKSA-N 0 0 232.298 3.988 10 30 BHEERN CCC1=C(c2ccc(F)cc2)[C@@H](CC=O)CC1 ZINC000149785516 346155271 /nfs/dbraw/zinc/15/52/71/346155271.db2.gz YLPKGRMZSUVWQL-CYBMUJFWSA-N 0 0 232.298 3.988 10 30 BHEERN FC(F)(F)C#Cc1cccc(Cl)c1Cl ZINC000149843719 538111704 /nfs/dbraw/zinc/11/17/04/538111704.db2.gz KHJPQZLUHSVDEE-UHFFFAOYSA-N 0 0 239.023 3.907 10 30 BHEERN C=CCCC(=O)c1cc(Cl)ccc1C ZINC000150251409 350069659 /nfs/dbraw/zinc/06/96/59/350069659.db2.gz FWZICOYRPGHFMY-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN N#Cc1c(NC2CCCCCC2)cc[nH]c1=S ZINC000150284116 343481050 /nfs/dbraw/zinc/48/10/50/343481050.db2.gz HOKHCOXFLLNPGP-UHFFFAOYSA-N 0 0 247.367 3.751 10 30 BHEERN Cc1ccc(Nc2cc(C)nc(C)c2C#N)cc1 ZINC000156535330 371442505 /nfs/dbraw/zinc/44/25/05/371442505.db2.gz SHJITXHCJSZOTC-UHFFFAOYSA-N 0 0 237.306 3.622 10 30 BHEERN Cc1cc(Sc2ccccc2)c(C#N)c(C)n1 ZINC000156535869 371442078 /nfs/dbraw/zinc/44/20/78/371442078.db2.gz JTOWVXZJUZJLQF-UHFFFAOYSA-N 0 0 240.331 3.721 10 30 BHEERN Cc1cc(Oc2cccc(F)c2)c(C#N)c(C)n1 ZINC000156536265 134722007 /nfs/dbraw/zinc/72/20/07/134722007.db2.gz OOACPFFDFSNJBL-UHFFFAOYSA-N 0 0 242.253 3.502 10 30 BHEERN Cc1cc(SC2CCCC2)c(C#N)c(C)n1 ZINC000156538796 371442532 /nfs/dbraw/zinc/44/25/32/371442532.db2.gz IXVAVOVPSQAKAN-UHFFFAOYSA-N 0 0 232.352 3.605 10 30 BHEERN [N-]=[N+]=Nc1nc2c(cccc2Cl)s1 ZINC000156745479 384484597 /nfs/dbraw/zinc/48/45/97/384484597.db2.gz DEEUIULIOQATIG-UHFFFAOYSA-N 0 0 210.649 3.892 10 30 BHEERN C=CCCCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000156767745 345212112 /nfs/dbraw/zinc/21/21/12/345212112.db2.gz KZPDCIJAVYWGLC-HUUCEWRRSA-N 0 0 249.398 3.627 10 30 BHEERN C=CCCCN(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000156767882 343752984 /nfs/dbraw/zinc/75/29/84/343752984.db2.gz KZPDCIJAVYWGLC-CABCVRRESA-N 0 0 249.398 3.627 10 30 BHEERN C=CCCCN(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000156768017 343752976 /nfs/dbraw/zinc/75/29/76/343752976.db2.gz KZPDCIJAVYWGLC-LSDHHAIUSA-N 0 0 249.398 3.627 10 30 BHEERN C=CCCCN(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000156768151 345212824 /nfs/dbraw/zinc/21/28/24/345212824.db2.gz KZPDCIJAVYWGLC-GJZGRUSLSA-N 0 0 249.398 3.627 10 30 BHEERN C=C(C)COc1ccc(Br)c(C)c1 ZINC000157087199 385045763 /nfs/dbraw/zinc/04/57/63/385045763.db2.gz XYZZSOBQGCPMIE-UHFFFAOYSA-N 0 0 241.128 3.712 10 30 BHEERN C=CCCOc1ccc(Br)c(C)c1 ZINC000157087688 345239111 /nfs/dbraw/zinc/23/91/11/345239111.db2.gz WCYCNESEOAGBJL-UHFFFAOYSA-N 0 0 241.128 3.712 10 30 BHEERN Cc1cccc(Nc2cc(C)nc(C)c2C#N)c1 ZINC000157380433 388832626 /nfs/dbraw/zinc/83/26/26/388832626.db2.gz CQCLWVQUBLMSLZ-UHFFFAOYSA-N 0 0 237.306 3.622 10 30 BHEERN Cc1cc(Oc2ccc(F)cc2)c(C#N)c(C)n1 ZINC000157476250 133486511 /nfs/dbraw/zinc/48/65/11/133486511.db2.gz MWZOGTNLEYRYHA-UHFFFAOYSA-N 0 0 242.253 3.502 10 30 BHEERN Cc1cc(SC2CCCCC2)c(C#N)c(C)n1 ZINC000157569164 384212386 /nfs/dbraw/zinc/21/23/86/384212386.db2.gz JFCWFKKDAUXMHJ-UHFFFAOYSA-N 0 0 246.379 3.995 10 30 BHEERN O=C1C=C(SCc2ccc(Cl)cc2)CC1 ZINC000159107281 347117659 /nfs/dbraw/zinc/11/76/59/347117659.db2.gz BYQJJYVRXLVKHS-UHFFFAOYSA-N 0 0 238.739 3.820 10 30 BHEERN N#Cc1oc2ccccc2c1OCc1ccccc1 ZINC000159833169 351010376 /nfs/dbraw/zinc/01/03/76/351010376.db2.gz RYJBGKGVHUVUPW-UHFFFAOYSA-N 0 0 249.269 3.883 10 30 BHEERN C=CCNc1c(C)cc(C)cc1Br ZINC000159864023 351014564 /nfs/dbraw/zinc/01/45/64/351014564.db2.gz IEVPAMKUMHMGJK-UHFFFAOYSA-N 0 0 240.144 3.664 10 30 BHEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccc(F)cc1 ZINC000159864183 351014791 /nfs/dbraw/zinc/01/47/91/351014791.db2.gz IFAOMWUSAAFWRC-CORIIIEPSA-N 0 0 246.329 3.559 10 30 BHEERN CC(C)(C#N)Cc1cccc(F)c1Cl ZINC000159922208 351037148 /nfs/dbraw/zinc/03/71/48/351037148.db2.gz TVMJDSGGMPMMKD-UHFFFAOYSA-N 0 0 211.667 3.571 10 30 BHEERN C[C@H](N[C@@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1 ZINC000159990059 388041532 /nfs/dbraw/zinc/04/15/32/388041532.db2.gz STJHGAGFUYQTRG-VHRBIJSZSA-N 0 0 248.757 3.683 10 30 BHEERN C[C@H](N[C@H]1CCC[C@H]1C#N)c1ccc(Cl)cc1 ZINC000159990209 388041756 /nfs/dbraw/zinc/04/17/56/388041756.db2.gz STJHGAGFUYQTRG-JKOKRWQUSA-N 0 0 248.757 3.683 10 30 BHEERN Cc1ccc(SC2=CC(=O)CC2)cc1C ZINC000160272614 355805922 /nfs/dbraw/zinc/80/59/22/355805922.db2.gz HBRFIXOWNWVOHW-UHFFFAOYSA-N 0 0 218.321 3.642 10 30 BHEERN SCc1ccc(Br)cc1Cl ZINC000160513770 357027353 /nfs/dbraw/zinc/02/73/53/357027353.db2.gz UWCAARLCLHVLJM-UHFFFAOYSA-N 0 0 237.549 3.532 10 30 BHEERN C=C(C)C[C@H](O)c1csc(Br)c1 ZINC000160816186 358793789 /nfs/dbraw/zinc/79/37/89/358793789.db2.gz PMUPRMXVEWCIOY-QMMMGPOBSA-N 0 0 247.157 3.510 10 30 BHEERN C=C(C)C[C@@H](O)c1csc(Br)c1 ZINC000160816296 358793690 /nfs/dbraw/zinc/79/36/90/358793690.db2.gz PMUPRMXVEWCIOY-MRVPVSSYSA-N 0 0 247.157 3.510 10 30 BHEERN CC[C@@H]1C[C@@]1(C#N)c1ccc(Cl)cc1 ZINC000160869452 358975298 /nfs/dbraw/zinc/97/52/98/358975298.db2.gz KSTHBSQGSRVRAK-SKDRFNHKSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@H]1C[C@@]1(C#N)c1ccc(Cl)cc1 ZINC000160869591 358975357 /nfs/dbraw/zinc/97/53/57/358975357.db2.gz KSTHBSQGSRVRAK-CABZTGNLSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@@H]1C[C@]1(C#N)c1ccc(Cl)cc1 ZINC000160869720 358975281 /nfs/dbraw/zinc/97/52/81/358975281.db2.gz KSTHBSQGSRVRAK-BXKDBHETSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@H]1C[C@]1(C#N)c1ccc(Cl)cc1 ZINC000160869856 358975306 /nfs/dbraw/zinc/97/53/06/358975306.db2.gz KSTHBSQGSRVRAK-JOYOIKCWSA-N 0 0 205.688 3.531 10 30 BHEERN C[C@@H]1C[C@@]1(C#N)c1ccc(Cl)cc1Cl ZINC000160871042 358975894 /nfs/dbraw/zinc/97/58/94/358975894.db2.gz VZBAISUEPABWGF-HQJQHLMTSA-N 0 0 226.106 3.795 10 30 BHEERN C[C@H]1C[C@@]1(C#N)c1ccc(Cl)cc1Cl ZINC000160871179 358981930 /nfs/dbraw/zinc/98/19/30/358981930.db2.gz VZBAISUEPABWGF-CPCISQLKSA-N 0 0 226.106 3.795 10 30 BHEERN C[C@@H]1C[C@]1(C#N)c1ccc(Cl)cc1Cl ZINC000160871313 358981925 /nfs/dbraw/zinc/98/19/25/358981925.db2.gz VZBAISUEPABWGF-RDDDGLTNSA-N 0 0 226.106 3.795 10 30 BHEERN C[C@H]1C[C@]1(C#N)c1ccc(Cl)cc1Cl ZINC000160871448 358981678 /nfs/dbraw/zinc/98/16/78/358981678.db2.gz VZBAISUEPABWGF-WRWORJQWSA-N 0 0 226.106 3.795 10 30 BHEERN CC[C@@H]1C[C@@]1(C#N)c1ccccc1Cl ZINC000160880961 358983774 /nfs/dbraw/zinc/98/37/74/358983774.db2.gz COUMNDIHWFDOKX-SKDRFNHKSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@H]1C[C@@]1(C#N)c1ccccc1Cl ZINC000160881099 358989125 /nfs/dbraw/zinc/98/91/25/358989125.db2.gz COUMNDIHWFDOKX-CABZTGNLSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@@H]1C[C@]1(C#N)c1ccccc1Cl ZINC000160881225 358989225 /nfs/dbraw/zinc/98/92/25/358989225.db2.gz COUMNDIHWFDOKX-BXKDBHETSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@H]1C[C@]1(C#N)c1ccccc1Cl ZINC000160881344 358989218 /nfs/dbraw/zinc/98/92/18/358989218.db2.gz COUMNDIHWFDOKX-JOYOIKCWSA-N 0 0 205.688 3.531 10 30 BHEERN CC[C@@H]1C[C@@]1(C#N)SC1CCCCC1 ZINC000160895557 358998777 /nfs/dbraw/zinc/99/87/77/358998777.db2.gz XFOAAWXGJJQUTM-PWSUYJOCSA-N 0 0 209.358 3.745 10 30 BHEERN CC[C@H]1C[C@@]1(C#N)SC1CCCCC1 ZINC000160895664 358998632 /nfs/dbraw/zinc/99/86/32/358998632.db2.gz XFOAAWXGJJQUTM-JQWIXIFHSA-N 0 0 209.358 3.745 10 30 BHEERN CC[C@@H]1C[C@]1(C#N)SC1CCCCC1 ZINC000160895794 358998720 /nfs/dbraw/zinc/99/87/20/358998720.db2.gz XFOAAWXGJJQUTM-ZYHUDNBSSA-N 0 0 209.358 3.745 10 30 BHEERN CC[C@H]1C[C@]1(C#N)SC1CCCCC1 ZINC000160895909 358998640 /nfs/dbraw/zinc/99/86/40/358998640.db2.gz XFOAAWXGJJQUTM-CMPLNLGQSA-N 0 0 209.358 3.745 10 30 BHEERN C[C@@H]1C[C@@]1(C#N)Sc1ccccc1Cl ZINC000160900996 358999086 /nfs/dbraw/zinc/99/90/86/358999086.db2.gz NHBMGEYJPJOIDD-KCJUWKMLSA-N 0 0 223.728 3.734 10 30 BHEERN C[C@H]1C[C@@]1(C#N)Sc1ccccc1Cl ZINC000160901126 359003319 /nfs/dbraw/zinc/00/33/19/359003319.db2.gz NHBMGEYJPJOIDD-KWQFWETISA-N 0 0 223.728 3.734 10 30 BHEERN C[C@@H]1C[C@]1(C#N)Sc1ccccc1Cl ZINC000160901257 359003413 /nfs/dbraw/zinc/00/34/13/359003413.db2.gz NHBMGEYJPJOIDD-LDYMZIIASA-N 0 0 223.728 3.734 10 30 BHEERN C[C@H]1C[C@]1(C#N)Sc1ccccc1Cl ZINC000160901390 359003390 /nfs/dbraw/zinc/00/33/90/359003390.db2.gz NHBMGEYJPJOIDD-GZMMTYOYSA-N 0 0 223.728 3.734 10 30 BHEERN C[C@@H]1C[C@@]1(C#N)Sc1ccc(Cl)cc1 ZINC000160902038 359003387 /nfs/dbraw/zinc/00/33/87/359003387.db2.gz NWTRAVBOZXPADV-KCJUWKMLSA-N 0 0 223.728 3.734 10 30 BHEERN C[C@H]1C[C@@]1(C#N)Sc1ccc(Cl)cc1 ZINC000160902144 359004041 /nfs/dbraw/zinc/00/40/41/359004041.db2.gz NWTRAVBOZXPADV-KWQFWETISA-N 0 0 223.728 3.734 10 30 BHEERN C[C@@H]1C[C@]1(C#N)Sc1ccc(Cl)cc1 ZINC000160902276 359003996 /nfs/dbraw/zinc/00/39/96/359003996.db2.gz NWTRAVBOZXPADV-LDYMZIIASA-N 0 0 223.728 3.734 10 30 BHEERN C[C@H]1C[C@]1(C#N)Sc1ccc(Cl)cc1 ZINC000160902409 359003424 /nfs/dbraw/zinc/00/34/24/359003424.db2.gz NWTRAVBOZXPADV-GZMMTYOYSA-N 0 0 223.728 3.734 10 30 BHEERN CC#CCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000160951258 359538276 /nfs/dbraw/zinc/53/82/76/359538276.db2.gz XUUDGGSVGORSAI-UHFFFAOYSA-N 0 0 241.117 3.980 10 30 BHEERN CCC1CCC(Nc2cc(C#N)cc(C)n2)CC1 ZINC000160995904 359681056 /nfs/dbraw/zinc/68/10/56/359681056.db2.gz OHNZZUJSIBZGJA-UHFFFAOYSA-N 0 0 243.354 3.642 10 30 BHEERN CC(C)=CC(=O)c1csc(Br)c1 ZINC000161082233 360510062 /nfs/dbraw/zinc/51/00/62/360510062.db2.gz FMKNGFHPXNNYOE-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN CC(C)=CC(=O)[C@@H]1CCCc2sccc21 ZINC000161099433 360524009 /nfs/dbraw/zinc/52/40/09/360524009.db2.gz ILPSTSGQMZNAMD-SNVBAGLBSA-N 0 0 220.337 3.703 10 30 BHEERN CC(C)=CC(=O)[C@H]1CCCc2sccc21 ZINC000161099558 360524032 /nfs/dbraw/zinc/52/40/32/360524032.db2.gz ILPSTSGQMZNAMD-JTQLQIEISA-N 0 0 220.337 3.703 10 30 BHEERN C=C(C)C(=O)c1cc2cc(F)ccc2s1 ZINC000161104427 362918773 /nfs/dbraw/zinc/91/87/73/362918773.db2.gz RVSWAXCOSDJKAS-UHFFFAOYSA-N 0 0 220.268 3.799 10 30 BHEERN C=C(C)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000161110428 363064604 /nfs/dbraw/zinc/06/46/04/363064604.db2.gz FITUCSCWJNLCSV-BDAKNGLRSA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C)C(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000161110527 363064649 /nfs/dbraw/zinc/06/46/49/363064649.db2.gz FITUCSCWJNLCSV-IUCAKERBSA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C)C(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000161110652 363065290 /nfs/dbraw/zinc/06/52/90/363065290.db2.gz FITUCSCWJNLCSV-RKDXNWHRSA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C)C(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000161110763 363065264 /nfs/dbraw/zinc/06/52/64/363065264.db2.gz FITUCSCWJNLCSV-DTWKUNHWSA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C)C(=O)C1CCC(C(F)(F)F)CC1 ZINC000161118350 363081384 /nfs/dbraw/zinc/08/13/84/363081384.db2.gz ZJSBEHKPMRGJNB-UHFFFAOYSA-N 0 0 220.234 3.500 10 30 BHEERN CC#CCCNc1cc(Cl)ccc1Cl ZINC000161146498 363169319 /nfs/dbraw/zinc/16/93/19/363169319.db2.gz HKQJKSQBGZDFMQ-UHFFFAOYSA-N 0 0 228.122 3.819 10 30 BHEERN CC#CCCNc1ccc(Cl)cc1Cl ZINC000161152754 363198782 /nfs/dbraw/zinc/19/87/82/363198782.db2.gz LIXRRJYOABFQGW-UHFFFAOYSA-N 0 0 228.122 3.819 10 30 BHEERN CC#CCCNc1cc(Cl)cc(Cl)c1 ZINC000161161416 363245097 /nfs/dbraw/zinc/24/50/97/363245097.db2.gz CUUQGQZXGHTPFG-UHFFFAOYSA-N 0 0 228.122 3.819 10 30 BHEERN CCc1ccccc1C(=O)C1=CCCC1 ZINC000161790731 364502892 /nfs/dbraw/zinc/50/28/92/364502892.db2.gz LZLLRVNPTRSCRB-UHFFFAOYSA-N 0 0 200.281 3.542 10 30 BHEERN CC#CCCOc1cc(Cl)ccc1Cl ZINC000161820433 371567149 /nfs/dbraw/zinc/56/71/49/371567149.db2.gz FEQFFWFIUSXKDU-UHFFFAOYSA-N 0 0 229.106 3.786 10 30 BHEERN CC(C)(C#N)Cc1ccc(Cl)cc1F ZINC000163619412 372019900 /nfs/dbraw/zinc/01/99/00/372019900.db2.gz NICQEQRWCOPNDF-UHFFFAOYSA-N 0 0 211.667 3.571 10 30 BHEERN Clc1ccc(CN=C2SCS2)cc1 ZINC000164011480 384506434 /nfs/dbraw/zinc/50/64/34/384506434.db2.gz IJBCTHSYFNBDEX-UHFFFAOYSA-N 0 0 229.757 3.634 10 30 BHEERN Cc1ccc(CN=C2SCS2)cc1C ZINC000164011999 384508661 /nfs/dbraw/zinc/50/86/61/384508661.db2.gz WHNDHOQFEPQGHF-UHFFFAOYSA-N 0 0 223.366 3.597 10 30 BHEERN Clc1cccc(CN=C2SCS2)c1 ZINC000164012240 384510787 /nfs/dbraw/zinc/51/07/87/384510787.db2.gz YMSHFUHIEKIMFE-UHFFFAOYSA-N 0 0 229.757 3.634 10 30 BHEERN N#C[C@@]1(Cl)CCCC[C@H]1c1ccccc1 ZINC000164809361 346627131 /nfs/dbraw/zinc/62/71/31/346627131.db2.gz YMSOLZQMIKNUAI-STQMWFEESA-N 0 0 219.715 3.845 10 30 BHEERN N#C[C@@]1(Cl)CCCC[C@@H]1c1ccccc1 ZINC000164809492 346627284 /nfs/dbraw/zinc/62/72/84/346627284.db2.gz YMSOLZQMIKNUAI-OLZOCXBDSA-N 0 0 219.715 3.845 10 30 BHEERN N#C[C@]1(Cl)CCCC[C@H]1c1ccccc1 ZINC000164809598 346627313 /nfs/dbraw/zinc/62/73/13/346627313.db2.gz YMSOLZQMIKNUAI-QWHCGFSZSA-N 0 0 219.715 3.845 10 30 BHEERN N#C[C@]1(Cl)CCCC[C@@H]1c1ccccc1 ZINC000164809725 346627339 /nfs/dbraw/zinc/62/73/39/346627339.db2.gz YMSOLZQMIKNUAI-CHWSQXEVSA-N 0 0 219.715 3.845 10 30 BHEERN N#Cc1ccccc1[C@@H]1CCc2ccccc2N1 ZINC000165199268 342881385 /nfs/dbraw/zinc/88/13/85/342881385.db2.gz KEADYNFBZVBERT-INIZCTEOSA-N 0 0 234.302 3.658 10 30 BHEERN N#Cc1ccccc1[C@H]1CCc2ccccc2N1 ZINC000165199380 342881334 /nfs/dbraw/zinc/88/13/34/342881334.db2.gz KEADYNFBZVBERT-MRXNPFEDSA-N 0 0 234.302 3.658 10 30 BHEERN N#CCc1ccc2ccc(Br)cc2c1 ZINC000165542190 343688404 /nfs/dbraw/zinc/68/84/04/343688404.db2.gz DMQPFBPGVCRFPC-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN N#CCc1cc(Cl)c(Cl)c(Cl)c1 ZINC000165555605 343718312 /nfs/dbraw/zinc/71/83/12/343718312.db2.gz DJJLDMJERKJSCW-UHFFFAOYSA-N 0 0 220.486 3.713 10 30 BHEERN N#CCc1ccc2c(Br)cccc2c1 ZINC000165700734 343963855 /nfs/dbraw/zinc/96/38/55/343963855.db2.gz ZSHFIRFIFYOQRV-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN C=CCCC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000165952096 344247700 /nfs/dbraw/zinc/24/77/00/344247700.db2.gz JUJSAFRAQBDKGF-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN C=CCCC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000165953032 344247895 /nfs/dbraw/zinc/24/78/95/344247895.db2.gz DNTWNOHUXZWQGS-UHFFFAOYSA-N 0 0 244.212 3.734 10 30 BHEERN C=C(CC(C)=O)c1cc2ccccc2s1 ZINC000166239862 344811346 /nfs/dbraw/zinc/81/13/46/344811346.db2.gz GIPNDQHNDGOLJN-CLFYSBASSA-N 0 0 216.305 3.894 10 30 BHEERN CC(C)(C)Cc1ccc(N2CCCC2)c(C#N)c1 ZINC000166462855 343633889 /nfs/dbraw/zinc/63/38/89/343633889.db2.gz TYULMQFTQRCJNH-UHFFFAOYSA-N 0 0 242.366 3.747 10 30 BHEERN N#C[C@@]1(Cc2ccc(Cl)s2)CCCS1 ZINC000166469911 344903409 /nfs/dbraw/zinc/90/34/09/344903409.db2.gz NXEXHICXVDAHSO-JTQLQIEISA-N 0 0 243.784 3.733 10 30 BHEERN N#C[C@]1(Cc2ccc(Cl)s2)CCCS1 ZINC000166470017 344903350 /nfs/dbraw/zinc/90/33/50/344903350.db2.gz NXEXHICXVDAHSO-SNVBAGLBSA-N 0 0 243.784 3.733 10 30 BHEERN O/N=C1\CCCc2ccc(-c3ccccc3)cc21 ZINC000166626976 346683838 /nfs/dbraw/zinc/68/38/38/346683838.db2.gz OVXZMHWFIDGVOX-WUKNDPDISA-N 0 0 237.302 3.868 10 30 BHEERN CCOc1ccc(C#N)cc1Oc1ccccc1 ZINC000167067436 346697073 /nfs/dbraw/zinc/69/70/73/346697073.db2.gz HSCMPMSBFHCJKL-UHFFFAOYSA-N 0 0 239.274 3.749 10 30 BHEERN C/C(=N\O)c1cccc(-c2ccccc2)c1 ZINC000167079599 346190926 /nfs/dbraw/zinc/19/09/26/346190926.db2.gz RPVGGCRJFSDFJE-RVDMUPIBSA-N 0 0 211.264 3.552 10 30 BHEERN C=C(CCCCCc1ccccc1)C(=O)OCC ZINC000167366796 345790089 /nfs/dbraw/zinc/79/00/89/345790089.db2.gz JOYXMVZMOAAHJM-UHFFFAOYSA-N 0 0 246.350 3.909 10 30 BHEERN C=C(C)c1ccc(-c2cc(N)ccc2C)cn1 ZINC000167479537 343594831 /nfs/dbraw/zinc/59/48/31/343594831.db2.gz CVUBYPLQMGZGJI-UHFFFAOYSA-N 0 0 224.307 3.672 10 30 BHEERN C[C@@H]1CC[C@](Cl)(C#N)c2ccccc21 ZINC000167515261 346258085 /nfs/dbraw/zinc/25/80/85/346258085.db2.gz PXGHNJBXTJKUMS-SKDRFNHKSA-N 0 0 205.688 3.542 10 30 BHEERN C[C@H]1CC[C@](Cl)(C#N)c2ccccc21 ZINC000167515367 346257946 /nfs/dbraw/zinc/25/79/46/346257946.db2.gz PXGHNJBXTJKUMS-CABZTGNLSA-N 0 0 205.688 3.542 10 30 BHEERN C[C@@H]1CC[C@@](Cl)(C#N)c2ccccc21 ZINC000167515479 346258142 /nfs/dbraw/zinc/25/81/42/346258142.db2.gz PXGHNJBXTJKUMS-BXKDBHETSA-N 0 0 205.688 3.542 10 30 BHEERN C[C@H]1CC[C@@](Cl)(C#N)c2ccccc21 ZINC000167515588 346257904 /nfs/dbraw/zinc/25/79/04/346257904.db2.gz PXGHNJBXTJKUMS-JOYOIKCWSA-N 0 0 205.688 3.542 10 30 BHEERN CC(C)=CC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000167819201 346718265 /nfs/dbraw/zinc/71/82/65/346718265.db2.gz PMNLEABKNVSZAA-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN CC(C)=CC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000167825576 347243379 /nfs/dbraw/zinc/24/33/79/347243379.db2.gz RMFCZUJBRFPNOH-UHFFFAOYSA-N 0 0 244.212 3.734 10 30 BHEERN CC=C=CC(=O)c1cccc(Cl)c1Cl ZINC000167876729 349292647 /nfs/dbraw/zinc/29/26/47/349292647.db2.gz GHODUTGZSJOQKM-UHFFFAOYSA-N 0 0 227.090 3.590 10 30 BHEERN CC=C=CC(=O)c1cc2sccc2s1 ZINC000167877407 356457832 /nfs/dbraw/zinc/45/78/32/356457832.db2.gz SUVGCIRBUKPOJM-UHFFFAOYSA-N 0 0 220.318 3.559 10 30 BHEERN C=C(Cl)CNc1ncc(Cl)cc1Cl ZINC000168021815 351265126 /nfs/dbraw/zinc/26/51/26/351265126.db2.gz MHLBOJIUJSIEFA-UHFFFAOYSA-N 0 0 237.517 3.553 10 30 BHEERN CCCCCCCc1ccc(CCO)cc1 ZINC000168051572 361868394 /nfs/dbraw/zinc/86/83/94/361868394.db2.gz QIIPPXBTIIRVBH-UHFFFAOYSA-N 0 0 220.356 3.734 10 30 BHEERN Cc1ccc(-c2cccc3c2O[C@@H](CC#N)C3)cc1 ZINC000168096672 345810042 /nfs/dbraw/zinc/81/00/42/345810042.db2.gz XKLYRCNEAWEDSJ-HNNXBMFYSA-N 0 0 249.313 3.879 10 30 BHEERN Cc1ccc(-c2cccc3c2O[C@H](CC#N)C3)cc1 ZINC000168096777 345809939 /nfs/dbraw/zinc/80/99/39/345809939.db2.gz XKLYRCNEAWEDSJ-OAHLLOKOSA-N 0 0 249.313 3.879 10 30 BHEERN C#CCCC(=O)c1cccc(Cl)c1Cl ZINC000168263154 351360855 /nfs/dbraw/zinc/36/08/55/351360855.db2.gz DCXVADHLSDECHN-UHFFFAOYSA-N 0 0 227.090 3.590 10 30 BHEERN C#CCCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000168267151 351360850 /nfs/dbraw/zinc/36/08/50/351360850.db2.gz KVNUFWCVVJCZND-UHFFFAOYSA-N 0 0 227.090 3.590 10 30 BHEERN C=CCCC(=O)c1cccc(F)c1Cl ZINC000168402024 345314064 /nfs/dbraw/zinc/31/40/64/345314064.db2.gz MHCCPQBPNOZLDC-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN N#CCc1cccc2cccc(Br)c21 ZINC000168408267 355791319 /nfs/dbraw/zinc/79/13/19/355791319.db2.gz PEOJMXLRKOUZHC-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN C=CCCC(=O)c1ccccc1SC ZINC000168408967 345314821 /nfs/dbraw/zinc/31/48/21/345314821.db2.gz DBWIOROQFTWBGI-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN C=CCCC(=O)c1sccc1Br ZINC000168409537 345314590 /nfs/dbraw/zinc/31/45/90/345314590.db2.gz ZEJJKVLINXWIJA-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN C=CCCC(=O)c1ccc(Cl)c(C)c1 ZINC000168413753 345316353 /nfs/dbraw/zinc/31/63/53/345316353.db2.gz NEWICTLWVKXOGN-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C=CCCC(=O)c1cccc(C)c1Cl ZINC000168413982 345316256 /nfs/dbraw/zinc/31/62/56/345316256.db2.gz PVUCZZMEOAYFQB-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C=CCCC(=O)c1ccccc1C(F)(F)F ZINC000168414224 345316159 /nfs/dbraw/zinc/31/61/59/345316159.db2.gz AAXLNNVQSHIMAW-UHFFFAOYSA-N 0 0 228.213 3.854 10 30 BHEERN C=CCCC(=O)c1ccc(Cl)s1 ZINC000168414517 345316739 /nfs/dbraw/zinc/31/67/39/345316739.db2.gz HCYLUJOHUCNARH-UHFFFAOYSA-N 0 0 200.690 3.550 10 30 BHEERN C=CCCC(=O)c1ccc(SC)cc1 ZINC000168417022 343209784 /nfs/dbraw/zinc/20/97/84/343209784.db2.gz PGFZPMGBIVSRLN-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN C=CCCC(=O)c1ccc(C)c(Cl)c1 ZINC000168418678 345318571 /nfs/dbraw/zinc/31/85/71/345318571.db2.gz LIVVDKQCCNBKCR-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C=CCCC(=O)c1cccc(OC(C)C)c1 ZINC000168419235 345319060 /nfs/dbraw/zinc/31/90/60/345319060.db2.gz PVFYEXUNKHCBCM-UHFFFAOYSA-N 0 0 218.296 3.623 10 30 BHEERN N#CCc1cccc2ccc(Br)cc21 ZINC000168438767 355819459 /nfs/dbraw/zinc/81/94/59/355819459.db2.gz WDWYAJJKQYLLME-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN N#CCc1cccc2c(Cl)cccc12 ZINC000168463134 355840913 /nfs/dbraw/zinc/84/09/13/355840913.db2.gz IUGMWSLSBNVSNG-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN FC(F)Oc1ccc(C#Cc2ccccc2)cc1 ZINC000168629842 345837776 /nfs/dbraw/zinc/83/77/76/345837776.db2.gz FIACYVLAGMWRBH-UHFFFAOYSA-N 0 0 244.240 3.688 10 30 BHEERN N#Cc1cc2ccccc2c2ccsc21 ZINC000168730563 345821618 /nfs/dbraw/zinc/82/16/18/345821618.db2.gz KFNGVWVSOUYJAH-UHFFFAOYSA-N 0 0 209.273 3.926 10 30 BHEERN C=CC[C@H](O)c1cc2sccc2s1 ZINC000169023110 358013339 /nfs/dbraw/zinc/01/33/39/358013339.db2.gz JCPCBXRJNHAFIL-ZETCQYMHSA-N 0 0 210.323 3.572 10 30 BHEERN C=CC[C@@H](O)c1cc2sccc2s1 ZINC000169023179 358012820 /nfs/dbraw/zinc/01/28/20/358012820.db2.gz JCPCBXRJNHAFIL-SSDOTTSWSA-N 0 0 210.323 3.572 10 30 BHEERN C=CCC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000169080394 358546686 /nfs/dbraw/zinc/54/66/86/358546686.db2.gz FNCOYNHFBHDUCI-AWEZNQCLSA-N 0 0 218.340 3.984 10 30 BHEERN C=CCC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000169080479 358546331 /nfs/dbraw/zinc/54/63/31/358546331.db2.gz FNCOYNHFBHDUCI-CQSZACIVSA-N 0 0 218.340 3.984 10 30 BHEERN C=C(C)CC(=O)c1cccc(F)c1Cl ZINC000169118711 359091202 /nfs/dbraw/zinc/09/12/02/359091202.db2.gz IYLZJHZUKZUJJP-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN N#Cc1cnc2cc(F)c(Cl)cc2c1Cl ZINC000169122023 359313479 /nfs/dbraw/zinc/31/34/79/359313479.db2.gz IJESRIPFMUBWBL-UHFFFAOYSA-N 0 0 241.052 3.552 10 30 BHEERN C=C(C)CC(=O)c1cc(F)c(Cl)cc1F ZINC000169142845 359359023 /nfs/dbraw/zinc/35/90/23/359359023.db2.gz DESGVDIHZVOEPT-UHFFFAOYSA-N 0 0 230.641 3.767 10 30 BHEERN CC(C)=CC(=O)c1sccc1Cl ZINC000169149158 357264757 /nfs/dbraw/zinc/26/47/57/357264757.db2.gz MSBZDYGOSSXIGR-UHFFFAOYSA-N 0 0 200.690 3.550 10 30 BHEERN CC(C)=CC(=O)c1cc(Cl)ccc1C ZINC000169154130 359436874 /nfs/dbraw/zinc/43/68/74/359436874.db2.gz SYCZVGASUQHRIT-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CSc1ccccc1C(=O)C=C(C)C ZINC000169154754 359438134 /nfs/dbraw/zinc/43/81/34/359438134.db2.gz QYCLSVMWZLMZPT-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN CC(C)=CC(=O)c1sccc1Br ZINC000169155478 359439003 /nfs/dbraw/zinc/43/90/03/359439003.db2.gz BZEJFGSFUZJNGH-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN CC(C)=CC(=O)c1ccc(Cl)c(C)c1 ZINC000169159112 359443553 /nfs/dbraw/zinc/44/35/53/359443553.db2.gz LQPUGOCTJYOPRK-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC(C)=CC(=O)c1cccc(C)c1Cl ZINC000169159296 357264410 /nfs/dbraw/zinc/26/44/10/357264410.db2.gz XMRDAARXQWWDPP-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC(C)=CC(=O)c1ccccc1C(F)(F)F ZINC000169159480 345437981 /nfs/dbraw/zinc/43/79/81/345437981.db2.gz ZGXQUWVOFAXUQK-UHFFFAOYSA-N 0 0 228.213 3.854 10 30 BHEERN CC(C)=CC(=O)c1ccc(Cl)s1 ZINC000169159749 359444924 /nfs/dbraw/zinc/44/49/24/359444924.db2.gz LMENKWXAKQVWFY-UHFFFAOYSA-N 0 0 200.690 3.550 10 30 BHEERN CC(C)=CC(=O)c1c(C)cc(C)cc1C ZINC000169159834 359444790 /nfs/dbraw/zinc/44/47/90/359444790.db2.gz WYDXRBHQQRMGTL-UHFFFAOYSA-N 0 0 202.297 3.761 10 30 BHEERN CC(C)=CC(=O)c1ccc(C)c(Cl)c1 ZINC000169163372 359621554 /nfs/dbraw/zinc/62/15/54/359621554.db2.gz ZWCMWCBUQUVIQX-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC(C)=CC(=O)c1cccc(OC(C)C)c1 ZINC000169163912 359622149 /nfs/dbraw/zinc/62/21/49/359622149.db2.gz CAYRRGDKMDZXBX-UHFFFAOYSA-N 0 0 218.296 3.623 10 30 BHEERN C=C(C)C(=O)c1cc(C)c(Br)s1 ZINC000169170750 359623801 /nfs/dbraw/zinc/62/38/01/359623801.db2.gz IOHSYYCDUYELSA-UHFFFAOYSA-N 0 0 245.141 3.578 10 30 BHEERN C=C(C)C(=O)c1ccc(Br)c(C)c1 ZINC000169171196 357264660 /nfs/dbraw/zinc/26/46/60/357264660.db2.gz VVMQPSVMIDTNGI-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)C(=O)c1cccc(Cl)c1Cl ZINC000169172482 359671594 /nfs/dbraw/zinc/67/15/94/359671594.db2.gz XRIRQOFHBKPVJQ-UHFFFAOYSA-N 0 0 215.079 3.752 10 30 BHEERN C=C(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000169172776 359671550 /nfs/dbraw/zinc/67/15/50/359671550.db2.gz UKKBBOOXODTWBJ-UHFFFAOYSA-N 0 0 232.176 3.603 10 30 BHEERN C=C(C)C(=O)c1cc2sccc2s1 ZINC000169173162 359671603 /nfs/dbraw/zinc/67/16/03/359671603.db2.gz PCLLINNZQSKGMK-UHFFFAOYSA-N 0 0 208.307 3.722 10 30 BHEERN C=C(C)C(=O)c1cc(C)ccc1Br ZINC000169175332 359671543 /nfs/dbraw/zinc/67/15/43/359671543.db2.gz YWANBZGOIJCXBY-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)C(=O)c1cc(Cl)ccc1Cl ZINC000169176286 357264251 /nfs/dbraw/zinc/26/42/51/357264251.db2.gz DRSODRGKVAKXCE-UHFFFAOYSA-N 0 0 215.079 3.752 10 30 BHEERN C=C(C)C(=O)c1c(Cl)cccc1Cl ZINC000169176382 359671573 /nfs/dbraw/zinc/67/15/73/359671573.db2.gz AHHRVGGJSREQFL-UHFFFAOYSA-N 0 0 215.079 3.752 10 30 BHEERN C=C(C)C(=O)c1cc2c(s1)CCCCC2 ZINC000169182976 359699131 /nfs/dbraw/zinc/69/91/31/359699131.db2.gz XLXIKIUGWSMVTK-UHFFFAOYSA-N 0 0 220.337 3.776 10 30 BHEERN C=C(C)C(=O)c1cc2ccc(F)cc2s1 ZINC000169183246 359700142 /nfs/dbraw/zinc/70/01/42/359700142.db2.gz FQRBLMGVXQGOHO-UHFFFAOYSA-N 0 0 220.268 3.799 10 30 BHEERN C=C(C)C(=O)c1cc(C)cc(Br)c1 ZINC000169184275 359700212 /nfs/dbraw/zinc/70/02/12/359700212.db2.gz XWGLXXYXXWJRLV-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)C(=O)c1ccc(C)cc1Br ZINC000169184729 359699778 /nfs/dbraw/zinc/69/97/78/359699778.db2.gz ZGSSOVYEECBDGG-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)C(=O)c1cccc(Br)c1C ZINC000169185753 359702094 /nfs/dbraw/zinc/70/20/94/359702094.db2.gz DQBZLFFSZHTOAG-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)C(=O)c1ccccc1C(C)(C)C ZINC000169190344 357264373 /nfs/dbraw/zinc/26/43/73/357264373.db2.gz BSZUQOSHPBDSBW-UHFFFAOYSA-N 0 0 202.297 3.743 10 30 BHEERN C=C(C)C(=O)c1ccc(Br)cc1C ZINC000169190626 359701370 /nfs/dbraw/zinc/70/13/70/359701370.db2.gz XDNPSOLRAWZGCM-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN CC(C)=CC(=O)Cc1cccc(Cl)c1F ZINC000169277443 360046114 /nfs/dbraw/zinc/04/61/14/360046114.db2.gz TZHGDWARHDTOJB-UHFFFAOYSA-N 0 0 226.678 3.557 10 30 BHEERN Cc1coc2c1C(=O)/C=C(\C)CC/C=C(/C)C2 ZINC000169292608 188078577 /nfs/dbraw/zinc/07/85/77/188078577.db2.gz XVOHELPNOXGRBQ-SJUGDSPGSA-N 0 0 230.307 4.000 10 30 BHEERN COc1ccc2cc(CC/C(C)=N\O)ccc2c1 ZINC000169333134 175224664 /nfs/dbraw/zinc/22/46/64/175224664.db2.gz OJRWGQXBZXMJQI-WJDWOHSUSA-N 0 0 243.306 3.631 10 30 BHEERN CC(=O)/C=C/c1ccc2cc(C)ccc2c1 ZINC000169333148 188161986 /nfs/dbraw/zinc/16/19/86/188161986.db2.gz AOMBMXCBVFHVGR-SNAWJCMRSA-N 0 0 210.276 3.750 10 30 BHEERN C=CCCCOc1cc(-c2ccccc2)no1 ZINC000169344195 387816496 /nfs/dbraw/zinc/81/64/96/387816496.db2.gz GJHXMNUNOBQVFL-UHFFFAOYSA-N 0 0 229.279 3.687 10 30 BHEERN C=CCc1c(Cl)onc1-c1ccccc1 ZINC000169344201 187390360 /nfs/dbraw/zinc/39/03/60/187390360.db2.gz KCPZRVDBUVJTPC-UHFFFAOYSA-N 0 0 219.671 3.724 10 30 BHEERN N#Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000169416905 181094746 /nfs/dbraw/zinc/09/47/46/181094746.db2.gz MMAJWRTUDVOXOD-UHFFFAOYSA-N 0 0 213.667 3.879 10 30 BHEERN Cc1ccc2cc(C#C[Si](C)(C)C)ccc2n1 ZINC000169981732 398033050 /nfs/dbraw/zinc/03/30/50/398033050.db2.gz LNIBCGCWBHXULV-UHFFFAOYSA-N 0 0 239.394 3.772 10 30 BHEERN C=CCCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000171422509 372580051 /nfs/dbraw/zinc/58/00/51/372580051.db2.gz RBIFJCQVLVYTBJ-CYBMUJFWSA-N 0 0 245.366 3.953 10 30 BHEERN C=CCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000171422513 372580007 /nfs/dbraw/zinc/58/00/07/372580007.db2.gz RBIFJCQVLVYTBJ-ZDUSSCGKSA-N 0 0 245.366 3.953 10 30 BHEERN C=CCCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000175072808 534665316 /nfs/dbraw/zinc/66/53/16/534665316.db2.gz GARRXXABTLGXHW-OAHLLOKOSA-N 0 0 243.350 3.537 10 30 BHEERN C=CCCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000175072827 534667508 /nfs/dbraw/zinc/66/75/08/534667508.db2.gz GARRXXABTLGXHW-HNNXBMFYSA-N 0 0 243.350 3.537 10 30 BHEERN C=CCCCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000175085752 527111500 /nfs/dbraw/zinc/11/15/00/527111500.db2.gz PADLYCHWDRNZJG-CYBMUJFWSA-N 0 0 245.366 3.783 10 30 BHEERN C=CCCCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000175085770 388422809 /nfs/dbraw/zinc/42/28/09/388422809.db2.gz PADLYCHWDRNZJG-ZDUSSCGKSA-N 0 0 245.366 3.783 10 30 BHEERN C=CCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000175086174 188252039 /nfs/dbraw/zinc/25/20/39/188252039.db2.gz LMRZWHGTDBGPGI-ZDUSSCGKSA-N 0 0 231.339 3.529 10 30 BHEERN C=CCC(CC=C)C(=O)N[C@@H](C)c1cccs1 ZINC000176893622 398046605 /nfs/dbraw/zinc/04/66/05/398046605.db2.gz FSNAGMXCHAVPDH-NSHDSACASA-N 0 0 249.379 3.694 10 30 BHEERN C=CCC(CC=C)C(=O)N[C@H](C)c1cccs1 ZINC000176893641 398046756 /nfs/dbraw/zinc/04/67/56/398046756.db2.gz FSNAGMXCHAVPDH-LLVKDONJSA-N 0 0 249.379 3.694 10 30 BHEERN C#CCCCCC(=O)O[C@@H](C)c1cccs1 ZINC000180749095 642810503 /nfs/dbraw/zinc/81/05/03/642810503.db2.gz DECPDVYKIKOHJY-NSHDSACASA-N 0 0 236.336 3.546 10 30 BHEERN C#CCCCCC(=O)O[C@H](C)c1cccs1 ZINC000180749114 642811001 /nfs/dbraw/zinc/81/10/01/642811001.db2.gz DECPDVYKIKOHJY-LLVKDONJSA-N 0 0 236.336 3.546 10 30 BHEERN C=CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183824735 388570823 /nfs/dbraw/zinc/57/08/23/388570823.db2.gz NXFJFMNCYHQOFN-AGIUHOORSA-N 0 0 237.387 3.530 10 30 BHEERN C=CC[C@H](C)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183824753 388571277 /nfs/dbraw/zinc/57/12/77/388571277.db2.gz NXFJFMNCYHQOFN-AVGNSLFASA-N 0 0 237.387 3.530 10 30 BHEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183824767 256841572 /nfs/dbraw/zinc/84/15/72/256841572.db2.gz NXFJFMNCYHQOFN-FRRDWIJNSA-N 0 0 237.387 3.530 10 30 BHEERN C=CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183824784 388570828 /nfs/dbraw/zinc/57/08/28/388570828.db2.gz NXFJFMNCYHQOFN-RWMBFGLXSA-N 0 0 237.387 3.530 10 30 BHEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000184909677 256849806 /nfs/dbraw/zinc/84/98/06/256849806.db2.gz ZAVCOEKAZRDUSO-UONOGXRCSA-N 0 0 245.366 3.775 10 30 BHEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000184909693 388584135 /nfs/dbraw/zinc/58/41/35/388584135.db2.gz ZAVCOEKAZRDUSO-KBPBESRZSA-N 0 0 245.366 3.775 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000184909710 388584155 /nfs/dbraw/zinc/58/41/55/388584155.db2.gz ZAVCOEKAZRDUSO-ZIAGYGMSSA-N 0 0 245.366 3.775 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000184909728 388583964 /nfs/dbraw/zinc/58/39/64/388583964.db2.gz ZAVCOEKAZRDUSO-KGLIPLIRSA-N 0 0 245.366 3.775 10 30 BHEERN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000184936896 353729283 /nfs/dbraw/zinc/72/92/83/353729283.db2.gz NUTOGJYHVKUDBT-QWRGUYRKSA-N 0 0 237.368 3.528 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000184936917 353729149 /nfs/dbraw/zinc/72/91/49/353729149.db2.gz NUTOGJYHVKUDBT-MNOVXSKESA-N 0 0 237.368 3.528 10 30 BHEERN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000184936939 353729439 /nfs/dbraw/zinc/72/94/39/353729439.db2.gz NUTOGJYHVKUDBT-WDEREUQCSA-N 0 0 237.368 3.528 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000184936953 353729114 /nfs/dbraw/zinc/72/91/14/353729114.db2.gz NUTOGJYHVKUDBT-GHMZBOCLSA-N 0 0 237.368 3.528 10 30 BHEERN C=C(C)C[C@H](C)C(=O)NC1CCC(CC)CC1 ZINC000185222708 388585194 /nfs/dbraw/zinc/58/51/94/388585194.db2.gz GTEIQGHUIHDZRL-HSBZDZAISA-N 0 0 237.387 3.674 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)NC1CCC(CC)CC1 ZINC000185222727 256852175 /nfs/dbraw/zinc/85/21/75/256852175.db2.gz GTEIQGHUIHDZRL-IYXRBSQSSA-N 0 0 237.387 3.674 10 30 BHEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185585807 134381883 /nfs/dbraw/zinc/38/18/83/134381883.db2.gz JHGCLTVYWLOQLN-QWHCGFSZSA-N 0 0 247.338 3.545 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185585824 134382126 /nfs/dbraw/zinc/38/21/26/134382126.db2.gz JHGCLTVYWLOQLN-CHWSQXEVSA-N 0 0 247.338 3.545 10 30 BHEERN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000185585841 134381955 /nfs/dbraw/zinc/38/19/55/134381955.db2.gz JHGCLTVYWLOQLN-STQMWFEESA-N 0 0 247.338 3.545 10 30 BHEERN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000185585862 134382059 /nfs/dbraw/zinc/38/20/59/134382059.db2.gz JHGCLTVYWLOQLN-OLZOCXBDSA-N 0 0 247.338 3.545 10 30 BHEERN C=CC[C@H](C(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000186087780 534328292 /nfs/dbraw/zinc/32/82/92/534328292.db2.gz RXCROHYSDOCCDO-HIFRSBDPSA-N 0 0 245.366 3.507 10 30 BHEERN C=CC[C@H](C(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000186087795 353871327 /nfs/dbraw/zinc/87/13/27/353871327.db2.gz RXCROHYSDOCCDO-ZFWWWQNUSA-N 0 0 245.366 3.507 10 30 BHEERN C=CC[C@@H](C(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000186087811 353871915 /nfs/dbraw/zinc/87/19/15/353871915.db2.gz RXCROHYSDOCCDO-UKRRQHHQSA-N 0 0 245.366 3.507 10 30 BHEERN C=CC[C@@H](C(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000186087827 353871591 /nfs/dbraw/zinc/87/15/91/353871591.db2.gz RXCROHYSDOCCDO-DZGCQCFKSA-N 0 0 245.366 3.507 10 30 BHEERN C=CCC1(C(=O)N[C@H](C)c2ccc(C)o2)CCC1 ZINC000188664922 534590599 /nfs/dbraw/zinc/59/05/99/534590599.db2.gz KBJHKXONFLLEMI-GFCCVEGCSA-N 0 0 247.338 3.512 10 30 BHEERN C=CCC1(C(=O)N[C@@H](C)c2ccc(C)o2)CCC1 ZINC000188664946 384108868 /nfs/dbraw/zinc/10/88/68/384108868.db2.gz KBJHKXONFLLEMI-LBPRGKRZSA-N 0 0 247.338 3.512 10 30 BHEERN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccccc1C ZINC000189868092 388643747 /nfs/dbraw/zinc/64/37/47/388643747.db2.gz SIYDTHCWRJFWBJ-XJKSGUPXSA-N 0 0 245.366 3.775 10 30 BHEERN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccccc1C ZINC000189868109 259560460 /nfs/dbraw/zinc/56/04/60/259560460.db2.gz SIYDTHCWRJFWBJ-BBRMVZONSA-N 0 0 245.366 3.775 10 30 BHEERN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccccc1C ZINC000189868132 259560610 /nfs/dbraw/zinc/56/06/10/259560610.db2.gz SIYDTHCWRJFWBJ-CZUORRHYSA-N 0 0 245.366 3.775 10 30 BHEERN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccccc1C ZINC000189868153 388643560 /nfs/dbraw/zinc/64/35/60/388643560.db2.gz SIYDTHCWRJFWBJ-CJNGLKHVSA-N 0 0 245.366 3.775 10 30 BHEERN CCCCCCCCCn1ccc([C@@H](C)O)n1 ZINC000190128893 641844671 /nfs/dbraw/zinc/84/46/71/641844671.db2.gz JWEKZRCXNBPNCX-CYBMUJFWSA-N 0 0 238.375 3.687 10 30 BHEERN C#CCCCC(=O)O[C@@H](CC)c1ccc(F)cc1 ZINC000190546278 641871456 /nfs/dbraw/zinc/87/14/56/641871456.db2.gz JHTXKXHNMFCIHA-AWEZNQCLSA-N 0 0 248.297 3.624 10 30 BHEERN C#CCCCC(=O)O[C@H](CC)c1ccc(F)cc1 ZINC000190546300 641871998 /nfs/dbraw/zinc/87/19/98/641871998.db2.gz JHTXKXHNMFCIHA-CQSZACIVSA-N 0 0 248.297 3.624 10 30 BHEERN C=CCCCCCSCc1nccn1CC ZINC000192541296 357843526 /nfs/dbraw/zinc/84/35/26/357843526.db2.gz LZYJHPHBNDXRHC-UHFFFAOYSA-N 0 0 238.400 3.883 10 30 BHEERN CCCCCCCCC(=O)N[C@@H](C)C1CC1 ZINC000192565254 644165378 /nfs/dbraw/zinc/16/53/78/644165378.db2.gz COIXPCGDSOWBKM-LBPRGKRZSA-N 0 0 225.376 3.652 10 30 BHEERN CCCCCCCCC(=O)N[C@H](C)C1CC1 ZINC000192565269 644165956 /nfs/dbraw/zinc/16/59/56/644165956.db2.gz COIXPCGDSOWBKM-GFCCVEGCSA-N 0 0 225.376 3.652 10 30 BHEERN C=C(C)C/C=C(\CO)[Si](C)(CC)CC ZINC000195798039 636072745 /nfs/dbraw/zinc/07/27/45/636072745.db2.gz RVWJIUKEYIJXPX-FMIVXFBMSA-N 0 0 212.409 3.529 10 30 BHEERN C[Si](C)(C)C#Cc1nc2ccccc2s1 ZINC000195800963 361709597 /nfs/dbraw/zinc/70/95/97/361709597.db2.gz JVKMYWKENUJOKP-UHFFFAOYSA-N 0 0 231.396 3.525 10 30 BHEERN C[Si](C)(C)C#CSc1ccccc1 ZINC000195858330 347468469 /nfs/dbraw/zinc/46/84/69/347468469.db2.gz BVYYJUXTXAZCJE-UHFFFAOYSA-N 0 0 206.386 3.617 10 30 BHEERN Cc1cccc(C)c1C#C[Si](C)(C)C ZINC000196075275 347780525 /nfs/dbraw/zinc/78/05/25/347780525.db2.gz AYBNGVLCOHNERA-UHFFFAOYSA-N 0 0 202.373 3.532 10 30 BHEERN C[Si](C)(C)C#Cc1ccccc1Cl ZINC000196078147 347780997 /nfs/dbraw/zinc/78/09/97/347780997.db2.gz CXFAEEQKUQCOOD-UHFFFAOYSA-N 0 0 208.764 3.569 10 30 BHEERN C[Si](C)(C)/N=C/c1cccc(Cl)c1 ZINC000196110091 347801646 /nfs/dbraw/zinc/80/16/46/347801646.db2.gz AEDMJZIGWLKRCC-XYOKQWHBSA-N 0 0 211.768 3.594 10 30 BHEERN CC(C)[Si](CC=O)(C(C)C)C(C)C ZINC000196113049 347484027 /nfs/dbraw/zinc/48/40/27/347484027.db2.gz KBTYTXDVVKFKEF-UHFFFAOYSA-N 0 0 200.398 3.864 10 30 BHEERN C=CCC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000196124379 537856196 /nfs/dbraw/zinc/85/61/96/537856196.db2.gz RKXXZDNLTJRYDK-NSHDSACASA-N 0 0 230.229 3.705 10 30 BHEERN C=CCC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000196124387 566493911 /nfs/dbraw/zinc/49/39/11/566493911.db2.gz RKXXZDNLTJRYDK-LLVKDONJSA-N 0 0 230.229 3.705 10 30 BHEERN CCCCCCCCON(Cl)C(=O)OC ZINC000196145667 347485551 /nfs/dbraw/zinc/48/55/51/347485551.db2.gz IHVGYIDVRANYNL-UHFFFAOYSA-N 0 0 237.727 3.501 10 30 BHEERN CCCCCCCc1ccc(C(N)=S)cc1 ZINC000196154021 346910813 /nfs/dbraw/zinc/91/08/13/346910813.db2.gz VGTWPWQYOVCHOZ-UHFFFAOYSA-N 0 0 235.396 3.834 10 30 BHEERN C=CCCCCCCOCCCCCCO ZINC000196159270 347810753 /nfs/dbraw/zinc/81/07/53/347810753.db2.gz JBJXQLPMJUTHCX-UHFFFAOYSA-N 0 0 228.376 3.692 10 30 BHEERN N#CCc1cc2cc(Cl)ccc2s1 ZINC000196225412 347838191 /nfs/dbraw/zinc/83/81/91/347838191.db2.gz YNCZNRXWKPDARA-UHFFFAOYSA-N 0 0 207.685 3.621 10 30 BHEERN CC(C)C1(C#C[Si](C)(C)C)SCCS1 ZINC000196257633 347852452 /nfs/dbraw/zinc/85/24/52/347852452.db2.gz IDSVPLSYJWRCLO-UHFFFAOYSA-N 0 0 244.501 3.700 10 30 BHEERN CCC[C@](C#N)(CCC#N)c1ccccc1 ZINC000196270216 347865334 /nfs/dbraw/zinc/86/53/34/347865334.db2.gz GNLPTHJRLSAKKN-CQSZACIVSA-N 0 0 212.296 3.552 10 30 BHEERN CCC[C@@](C#N)(CCC#N)c1ccccc1 ZINC000196270225 347865511 /nfs/dbraw/zinc/86/55/11/347865511.db2.gz GNLPTHJRLSAKKN-AWEZNQCLSA-N 0 0 212.296 3.552 10 30 BHEERN CCCC[C@](C#N)(CCC#N)c1ccccc1 ZINC000196270241 347865517 /nfs/dbraw/zinc/86/55/17/347865517.db2.gz RJWJIZWKLOUCEV-OAHLLOKOSA-N 0 0 226.323 3.942 10 30 BHEERN CCCC[C@@](C#N)(CCC#N)c1ccccc1 ZINC000196270249 347491934 /nfs/dbraw/zinc/49/19/34/347491934.db2.gz RJWJIZWKLOUCEV-HNNXBMFYSA-N 0 0 226.323 3.942 10 30 BHEERN CC(C)C[C@](C#N)(CCC#N)c1ccccc1 ZINC000196270259 347865432 /nfs/dbraw/zinc/86/54/32/347865432.db2.gz ZNRHRIUMTAIEQQ-HNNXBMFYSA-N 0 0 226.323 3.798 10 30 BHEERN CC(C)C[C@@](C#N)(CCC#N)c1ccccc1 ZINC000196270268 347865482 /nfs/dbraw/zinc/86/54/82/347865482.db2.gz ZNRHRIUMTAIEQQ-OAHLLOKOSA-N 0 0 226.323 3.798 10 30 BHEERN C=C(Br)CC[Si](C)(C)C ZINC000196324254 398343546 /nfs/dbraw/zinc/34/35/46/398343546.db2.gz UUCCSGFRCBIPPI-UHFFFAOYSA-N 0 0 207.187 3.623 10 30 BHEERN CCCc1c(CCCCC#N)cccc1OC ZINC000196374036 347867627 /nfs/dbraw/zinc/86/76/27/347867627.db2.gz RTLHLFYOCCVABT-UHFFFAOYSA-N 0 0 231.339 3.884 10 30 BHEERN N#Cc1ccc(-c2cc3cc(C#N)ccc3o2)cc1 ZINC000196376028 347867701 /nfs/dbraw/zinc/86/77/01/347867701.db2.gz ZWEJIESVXYENSN-UHFFFAOYSA-N 0 0 244.253 3.843 10 30 BHEERN N#Cc1ccc(-c2cc3cccc(C#N)c3[nH]2)cc1 ZINC000196423552 491074247 /nfs/dbraw/zinc/07/42/47/491074247.db2.gz FQXFGAQIFMDVDD-UHFFFAOYSA-N 0 0 243.269 3.578 10 30 BHEERN C[Si](C)(C)C#CSCc1ccccc1 ZINC000196428543 397957672 /nfs/dbraw/zinc/95/76/72/397957672.db2.gz BINIEIDVFPHMDK-UHFFFAOYSA-N 0 0 220.413 3.758 10 30 BHEERN Cl/C(=N\Cc1ccccc1)c1cccs1 ZINC000196461515 347899754 /nfs/dbraw/zinc/89/97/54/347899754.db2.gz CTXUZHVFWBUBKX-OWBHPGMISA-N 0 0 235.739 3.934 10 30 BHEERN C#CC(OCC)(c1ccccc1)c1ccccc1 ZINC000196463919 347899485 /nfs/dbraw/zinc/89/94/85/347899485.db2.gz IZCUSKRQQIWBSK-UHFFFAOYSA-N 0 0 236.314 3.600 10 30 BHEERN Cc1c(/C=N/C2CCCCC2)cccc1[N+](=O)[O-] ZINC000196505000 347913402 /nfs/dbraw/zinc/91/34/02/347913402.db2.gz YNODWVIPHPOUNK-XNTDXEJSSA-N 0 0 246.310 3.655 10 30 BHEERN Cc1ccc([N+](=O)[O-])cc1/C=N/C1CCCCC1 ZINC000196505019 347508304 /nfs/dbraw/zinc/50/83/04/347508304.db2.gz OHHYMCQRRSJJJI-XNTDXEJSSA-N 0 0 246.310 3.655 10 30 BHEERN CC(C)(C)/C(Cl)=N/Cc1ccccc1 ZINC000196537255 347923276 /nfs/dbraw/zinc/92/32/76/347923276.db2.gz KYQMDXZDQDJLJQ-KAMYIIQDSA-N 0 0 209.720 3.870 10 30 BHEERN Clc1cccc([C@H](c2ccccc2)[C@@H]2CO2)c1 ZINC000196643558 347963873 /nfs/dbraw/zinc/96/38/73/347963873.db2.gz KGRAPELYFCPFMB-GJZGRUSLSA-N 0 0 244.721 3.871 10 30 BHEERN Clc1cccc([C@@H](c2ccccc2)[C@@H]2CO2)c1 ZINC000196643572 347964136 /nfs/dbraw/zinc/96/41/36/347964136.db2.gz KGRAPELYFCPFMB-LSDHHAIUSA-N 0 0 244.721 3.871 10 30 BHEERN Clc1cccc([C@H](c2ccccc2)[C@H]2CO2)c1 ZINC000196643584 347963962 /nfs/dbraw/zinc/96/39/62/347963962.db2.gz KGRAPELYFCPFMB-CABCVRRESA-N 0 0 244.721 3.871 10 30 BHEERN Clc1cccc([C@@H](c2ccccc2)[C@H]2CO2)c1 ZINC000196643596 347964118 /nfs/dbraw/zinc/96/41/18/347964118.db2.gz KGRAPELYFCPFMB-HUUCEWRRSA-N 0 0 244.721 3.871 10 30 BHEERN CCCc1ccc(OC)cc1OCCCCC#N ZINC000196654695 347971185 /nfs/dbraw/zinc/97/11/85/347971185.db2.gz UJQJZFFIJGLLTE-UHFFFAOYSA-N 0 0 247.338 3.720 10 30 BHEERN Cc1ccc(O)c(/C=C/C(=O)c2ccccc2)c1 ZINC000196696783 347991177 /nfs/dbraw/zinc/99/11/77/347991177.db2.gz URRXIZZVOKYUEC-CSKARUKUSA-N 0 0 238.286 3.597 10 30 BHEERN CC(C)[Si](C#CCCCO)(C(C)C)C(C)C ZINC000196832562 397912805 /nfs/dbraw/zinc/91/28/05/397912805.db2.gz IZSPTTKNOYXBSM-UHFFFAOYSA-N 0 0 240.463 3.980 10 30 BHEERN CC(C)C1(C=O)c2ccccc2-c2ccccc21 ZINC000196833152 348037405 /nfs/dbraw/zinc/03/74/05/348037405.db2.gz YYFKAZVWJVACRD-UHFFFAOYSA-N 0 0 236.314 3.808 10 30 BHEERN CCc1ccc(C#C[Si](C)(C)C)cc1F ZINC000197077582 398114086 /nfs/dbraw/zinc/11/40/86/398114086.db2.gz DBMWTULQDHAEMO-UHFFFAOYSA-N 0 0 220.363 3.617 10 30 BHEERN CCc1cc(C#C[Si](C)(C)C)ccc1F ZINC000197077605 348096315 /nfs/dbraw/zinc/09/63/15/348096315.db2.gz LVCFLTFNBWVHAM-UHFFFAOYSA-N 0 0 220.363 3.617 10 30 BHEERN C=CC[C@H](CC)c1ccc(C(=O)OC)cc1 ZINC000197226426 347563932 /nfs/dbraw/zinc/56/39/32/347563932.db2.gz OASLBFGQIQOFJO-NSHDSACASA-N 0 0 218.296 3.543 10 30 BHEERN C=CC[C@@H](CC)c1ccc(C(=O)OC)cc1 ZINC000197226436 348143722 /nfs/dbraw/zinc/14/37/22/348143722.db2.gz OASLBFGQIQOFJO-LLVKDONJSA-N 0 0 218.296 3.543 10 30 BHEERN N#Cc1ccc2c(c1)occ2-c1ccccc1 ZINC000197255145 181131540 /nfs/dbraw/zinc/13/15/40/181131540.db2.gz JXCHDDZLSKXHNB-UHFFFAOYSA-N 0 0 219.243 3.971 10 30 BHEERN CC1(C)CCC(C)(C)c2cc(C#N)c(C#N)cc21 ZINC000197359411 411150228 /nfs/dbraw/zinc/15/02/28/411150228.db2.gz AWQPBVOKALUQQH-UHFFFAOYSA-N 0 0 238.334 3.779 10 30 BHEERN C[Si](C)(C)C#Cc1cc2ccccc2o1 ZINC000197881454 398022016 /nfs/dbraw/zinc/02/20/16/398022016.db2.gz PYFFCJAJZCREPY-UHFFFAOYSA-N 0 0 214.340 3.662 10 30 BHEERN CCc1cc(C#C[Si](C)(C)C)cs1 ZINC000197900392 348490479 /nfs/dbraw/zinc/49/04/79/348490479.db2.gz KMWGGPXZMIXQJA-UHFFFAOYSA-N 0 0 208.402 3.539 10 30 BHEERN Cc1nc2ccc(C)cc2n1-c1ccc(C#N)cc1 ZINC000197927688 411292077 /nfs/dbraw/zinc/29/20/77/411292077.db2.gz DUCZWKWZWMTGQJ-UHFFFAOYSA-N 0 0 247.301 3.514 10 30 BHEERN C=CCC[C@@H](CC=C)[Si](C)(C)c1ccccn1 ZINC000197991368 166295587 /nfs/dbraw/zinc/29/55/87/166295587.db2.gz SQBSLGNXHGHTOB-CQSZACIVSA-N 0 0 245.442 3.910 10 30 BHEERN C=CCC[C@H](CC=C)[Si](C)(C)c1ccccn1 ZINC000197991375 166302117 /nfs/dbraw/zinc/30/21/17/166302117.db2.gz SQBSLGNXHGHTOB-AWEZNQCLSA-N 0 0 245.442 3.910 10 30 BHEERN C=CC[C@H](CC(C)C)[Si](C)(C)c1ccccn1 ZINC000197991381 384036303 /nfs/dbraw/zinc/03/63/03/384036303.db2.gz JRMZDKTXCQSIOH-CQSZACIVSA-N 0 0 247.458 3.989 10 30 BHEERN C=CC[C@@H](CC(C)C)[Si](C)(C)c1ccccn1 ZINC000197991384 187293803 /nfs/dbraw/zinc/29/38/03/187293803.db2.gz JRMZDKTXCQSIOH-AWEZNQCLSA-N 0 0 247.458 3.989 10 30 BHEERN COc1cc(Cl)cc(C#C[Si](C)(C)C)c1 ZINC000198023272 384113641 /nfs/dbraw/zinc/11/36/41/384113641.db2.gz WQVOXLLDAJPSEN-UHFFFAOYSA-N 0 0 238.790 3.578 10 30 BHEERN N#Cc1ccc2c(c1)sc1ccccc12 ZINC000198258944 348656787 /nfs/dbraw/zinc/65/67/87/348656787.db2.gz BBEHZGINMFGGCB-UHFFFAOYSA-N 0 0 209.273 3.926 10 30 BHEERN N#Cc1ccccc1/C=C\c1ccc(C=O)cc1 ZINC000199066952 181144366 /nfs/dbraw/zinc/14/43/66/181144366.db2.gz ATGJPRPJEYODEV-KTKRTIGZSA-N 0 0 233.270 3.541 10 30 BHEERN C=C1CCc2cnc(OCc3ccccc3)cc21 ZINC000199688659 398202566 /nfs/dbraw/zinc/20/25/66/398202566.db2.gz ILZXLTQMQYCDEC-UHFFFAOYSA-N 0 0 237.302 3.620 10 30 BHEERN CC(C)(C)C#Cc1cc(Br)cs1 ZINC000199869872 343746341 /nfs/dbraw/zinc/74/63/41/343746341.db2.gz POOFSISYKMNJNH-UHFFFAOYSA-N 0 0 243.169 3.908 10 30 BHEERN N#CC1(c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000200299491 347805653 /nfs/dbraw/zinc/80/56/53/347805653.db2.gz CGSSKZMVZVIXAF-UHFFFAOYSA-N 0 0 243.309 3.642 10 30 BHEERN C#Cc1ccc2c(c1)C(C)(C)c1ccccc1-2 ZINC000200570188 343118345 /nfs/dbraw/zinc/11/83/45/343118345.db2.gz ZEAOECILXZWDIQ-UHFFFAOYSA-N 0 0 218.299 3.974 10 30 BHEERN N#Cc1ccc(F)cc1SCc1ccccc1 ZINC000200630464 411137005 /nfs/dbraw/zinc/13/70/05/411137005.db2.gz ABQPXDWRHKJLQJ-UHFFFAOYSA-N 0 0 243.306 3.990 10 30 BHEERN FC(F)(F)C#Cc1ccc2ccccc2c1 ZINC000200692606 346435818 /nfs/dbraw/zinc/43/58/18/346435818.db2.gz OXFROVTWACNPTO-UHFFFAOYSA-N 0 0 220.193 3.754 10 30 BHEERN CN(c1cccc(C#C[Si](C)(C)C)c1)C1CC1 ZINC000201086638 347870175 /nfs/dbraw/zinc/87/01/75/347870175.db2.gz LLYXMWFYXBWSJV-UHFFFAOYSA-N 0 0 243.426 3.514 10 30 BHEERN CCCCCCCC/C=C1/C[C@H](C)OC1=O ZINC000201593746 347910552 /nfs/dbraw/zinc/91/05/52/347910552.db2.gz NQSHBZGHCFWUAY-IXJPEXDMSA-N 0 0 224.344 3.999 10 30 BHEERN CCCCCCCC/C=C1/C[C@@H](C)OC1=O ZINC000201593781 347910465 /nfs/dbraw/zinc/91/04/65/347910465.db2.gz NQSHBZGHCFWUAY-YGYTWAPGSA-N 0 0 224.344 3.999 10 30 BHEERN CCCCCCC/C=C1/C[C@H](C)OC1=O ZINC000201593827 347910381 /nfs/dbraw/zinc/91/03/81/347910381.db2.gz BWOFHOJKKOJDNL-AWPPVZKDSA-N 0 0 210.317 3.609 10 30 BHEERN CCCCCCC/C=C1/C[C@@H](C)OC1=O ZINC000201593858 347910591 /nfs/dbraw/zinc/91/05/91/347910591.db2.gz BWOFHOJKKOJDNL-ZGSOTFDTSA-N 0 0 210.317 3.609 10 30 BHEERN C=C1CCCc2cc(Br)ccc21 ZINC000203358127 369460177 /nfs/dbraw/zinc/46/01/77/369460177.db2.gz DKISPBHRYROLNM-UHFFFAOYSA-N 0 0 223.113 3.799 10 30 BHEERN COc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC000203701092 175120040 /nfs/dbraw/zinc/12/00/40/175120040.db2.gz BBXLVLXDNHJFDB-UHFFFAOYSA-N 0 0 238.790 3.578 10 30 BHEERN C=C[C@H](C)SC(=O)N(C)c1ccc(F)cc1 ZINC000203712795 491113741 /nfs/dbraw/zinc/11/37/41/491113741.db2.gz WPWLSFFLVBCGKK-VIFPVBQESA-N 0 0 239.315 3.690 10 30 BHEERN C[Si](C)(C)C#Cc1ccccc1C(F)(F)F ZINC000203805039 346650941 /nfs/dbraw/zinc/65/09/41/346650941.db2.gz BJVOKVJNSBTSFB-UHFFFAOYSA-N 0 0 242.316 3.934 10 30 BHEERN N#Cc1ccc2sc3ccccc3c2c1 ZINC000205279039 343621979 /nfs/dbraw/zinc/62/19/79/343621979.db2.gz CNLAVBSYMUPNBF-UHFFFAOYSA-N 0 0 209.273 3.926 10 30 BHEERN C=C[C@H](C)CP(=O)(OC(C)C)OC(C)C ZINC000205281406 348483129 /nfs/dbraw/zinc/48/31/29/348483129.db2.gz VFVUSIKAABWPOR-NSHDSACASA-N 0 0 234.276 3.852 10 30 BHEERN C=C[C@@H](C)CP(=O)(OC(C)C)OC(C)C ZINC000205281417 343122294 /nfs/dbraw/zinc/12/22/94/343122294.db2.gz VFVUSIKAABWPOR-LLVKDONJSA-N 0 0 234.276 3.852 10 30 BHEERN CCOc1ccc(F)c(-c2ccccc2C#N)c1 ZINC000206365428 345758057 /nfs/dbraw/zinc/75/80/57/345758057.db2.gz HTGAGEYYKQYUNI-UHFFFAOYSA-N 0 0 241.265 3.763 10 30 BHEERN C#C[P@](=O)(OCC)Oc1cc(C)cc(C)c1 ZINC000206743514 356478400 /nfs/dbraw/zinc/47/84/00/356478400.db2.gz OLAUDBDKZSATIY-INIZCTEOSA-N 0 0 238.223 3.503 10 30 BHEERN C#C[P@@](=O)(OCC)Oc1cc(C)cc(C)c1 ZINC000206743556 343712495 /nfs/dbraw/zinc/71/24/95/343712495.db2.gz OLAUDBDKZSATIY-MRXNPFEDSA-N 0 0 238.223 3.503 10 30 BHEERN CCCCCCCCCCC#CC(=O)OC ZINC000206964434 343713656 /nfs/dbraw/zinc/71/36/56/343713656.db2.gz KQGRMRJGDABTAW-UHFFFAOYSA-N 0 0 224.344 3.694 10 30 BHEERN CCCCc1cc2cc(/C(C)=N/O)ccc2o1 ZINC000211499537 349272518 /nfs/dbraw/zinc/27/25/18/349272518.db2.gz VTVQJAVTKCTLAC-XNTDXEJSSA-N 0 0 231.295 3.974 10 30 BHEERN CCCCOc1ccc(C(=O)C(C)C=O)cc1 ZINC000211656338 349278114 /nfs/dbraw/zinc/27/81/14/349278114.db2.gz QONCUSUCYGYLDM-ZHACJKMWSA-N 0 0 234.295 3.510 10 30 BHEERN CCCCCC/C=C(/CO)[Si](C)(C)C ZINC000212622029 349354045 /nfs/dbraw/zinc/35/40/45/349354045.db2.gz RWGLBIPSURNTIP-BENRWUELSA-N 0 0 214.425 3.753 10 30 BHEERN CCC[C@@H]1CCCCN1c1ccc(C#N)cc1 ZINC000213403950 363000514 /nfs/dbraw/zinc/00/05/14/363000514.db2.gz MIYDSIKVEWLOOO-CQSZACIVSA-N 0 0 228.339 3.717 10 30 BHEERN CCC[C@H]1CCCCN1c1ccc(C#N)cc1 ZINC000213404005 363000659 /nfs/dbraw/zinc/00/06/59/363000659.db2.gz MIYDSIKVEWLOOO-AWEZNQCLSA-N 0 0 228.339 3.717 10 30 BHEERN C[Si](C)(C)C#Cc1c(F)cccc1Cl ZINC000215542830 345848394 /nfs/dbraw/zinc/84/83/94/345848394.db2.gz DIVZLPKFGQUKGM-UHFFFAOYSA-N 0 0 226.754 3.708 10 30 BHEERN N#Cc1cc(Cl)nc(SC2CCCC2)c1 ZINC000215567202 371581122 /nfs/dbraw/zinc/58/11/22/371581122.db2.gz TUWAONGYHDXEQI-UHFFFAOYSA-N 0 0 238.743 3.641 10 30 BHEERN C=CCNc1c(Cl)cc(F)cc1Cl ZINC000215579429 345412792 /nfs/dbraw/zinc/41/27/92/345412792.db2.gz CLNSBOQIRCWVHO-UHFFFAOYSA-N 0 0 220.074 3.730 10 30 BHEERN C=C(C[Si](C)(C)C)[C@H](CO)CC(C)C ZINC000215679337 349907772 /nfs/dbraw/zinc/90/77/72/349907772.db2.gz UGKVMWRKITXHOX-LBPRGKRZSA-N 0 0 214.425 3.535 10 30 BHEERN C=C(C[Si](C)(C)C)[C@@H](CO)CC(C)C ZINC000215679384 353472662 /nfs/dbraw/zinc/47/26/62/353472662.db2.gz UGKVMWRKITXHOX-GFCCVEGCSA-N 0 0 214.425 3.535 10 30 BHEERN C=CCC(CC=C)COCc1ccccc1 ZINC000215725092 349914522 /nfs/dbraw/zinc/91/45/22/349914522.db2.gz KECPHMROXZARKP-UHFFFAOYSA-N 0 0 216.324 3.972 10 30 BHEERN Cc1ccc(C#C[Si](C)(C)C)c(C)c1 ZINC000215737131 371623114 /nfs/dbraw/zinc/62/31/14/371623114.db2.gz YWLGNMOYFLWPIE-UHFFFAOYSA-N 0 0 202.373 3.532 10 30 BHEERN C(=N\c1ccccc1)\c1cccc2cc[nH]c21 ZINC000215925077 188008255 /nfs/dbraw/zinc/00/82/55/188008255.db2.gz PSACOYHKXCXPQK-BOPFTXTBSA-N 0 0 220.275 3.919 10 30 BHEERN CCO/C=N\c1ccc2ccsc2c1 ZINC000215934043 188008797 /nfs/dbraw/zinc/00/87/97/188008797.db2.gz BNUFEYLLIUKVJP-WQLSENKSSA-N 0 0 205.282 3.598 10 30 BHEERN CCCCc1ccc(C#CBr)cc1 ZINC000216001331 343122442 /nfs/dbraw/zinc/12/24/42/343122442.db2.gz SJFAJRTUCDGUNP-UHFFFAOYSA-N 0 0 237.140 3.733 10 30 BHEERN COc1ccc(-c2cc3cc[nH]c3cc2C#N)cc1 ZINC000216011417 342729250 /nfs/dbraw/zinc/72/92/50/342729250.db2.gz XHADDTACHHIIRJ-UHFFFAOYSA-N 0 0 248.285 3.715 10 30 BHEERN FC(F)(F)C#Cc1ccc(C(F)(F)F)cc1 ZINC000216157067 397852730 /nfs/dbraw/zinc/85/27/30/397852730.db2.gz JQTLDAPYWLECEE-UHFFFAOYSA-N 0 0 238.130 3.619 10 30 BHEERN Cc1ccc(C(=O)/C=C\c2ccco2)cc1C ZINC000216571135 350777393 /nfs/dbraw/zinc/77/73/93/350777393.db2.gz PEGSZPUBNZLZQA-FPLPWBNLSA-N 0 0 226.275 3.793 10 30 BHEERN C[C@@H](C#N)c1cc2c(c(Cl)c1)OC(C)(C)C2 ZINC000216968598 350025749 /nfs/dbraw/zinc/02/57/49/350025749.db2.gz CPJGHISZQZASAA-QMMMGPOBSA-N 0 0 235.714 3.681 10 30 BHEERN C[C@H](C#N)c1cc2c(c(Cl)c1)OC(C)(C)C2 ZINC000216968614 350025435 /nfs/dbraw/zinc/02/54/35/350025435.db2.gz CPJGHISZQZASAA-MRVPVSSYSA-N 0 0 235.714 3.681 10 30 BHEERN C/C(Cc1ccccc1-c1ccccc1)=N\O ZINC000217547392 371975740 /nfs/dbraw/zinc/97/57/40/371975740.db2.gz HSGQEJACBICALD-FOWTUZBSSA-N 0 0 225.291 3.746 10 30 BHEERN C/C(=N\[O-])c1cc(C(F)(F)F)ccc1Cl ZINC000217582777 371981438 /nfs/dbraw/zinc/98/14/38/371981438.db2.gz HIOZGBZHUIDORO-LHHJGKSTSA-N 0 0 237.608 3.557 10 30 BHEERN N#CCc1c(Br)ccc2ccccc21 ZINC000217752409 372005916 /nfs/dbraw/zinc/00/59/16/372005916.db2.gz DGQADYAMHOVWBL-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN Cc1cccc(C(=O)/C=C/c2cccs2)c1O ZINC000217852027 350075239 /nfs/dbraw/zinc/07/52/39/350075239.db2.gz KUBQHDCUCNEWSX-BQYQJAHWSA-N 0 0 244.315 3.658 10 30 BHEERN CCCc1c(O)cccc1CCCCCC#N ZINC000217946264 350077575 /nfs/dbraw/zinc/07/75/75/350077575.db2.gz LOXWKNMMRGLPRT-UHFFFAOYSA-N 0 0 231.339 3.971 10 30 BHEERN COc1cccc(/N=C/c2cccs2)c1 ZINC000218299725 350088052 /nfs/dbraw/zinc/08/80/52/350088052.db2.gz YQBVLGPFLBXYLT-UKTHLTGXSA-N 0 0 217.293 3.507 10 30 BHEERN COc1cccc(/N=C/c2ccsc2)c1 ZINC000218300352 350087961 /nfs/dbraw/zinc/08/79/61/350087961.db2.gz CRNLNEYSSONZRU-MDWZMJQESA-N 0 0 217.293 3.507 10 30 BHEERN N#Cc1ccc(C2(c3ccccc3)CC2)cc1 ZINC000218346717 345850431 /nfs/dbraw/zinc/85/04/31/345850431.db2.gz JRYLQFJBKKNPLB-UHFFFAOYSA-N 0 0 219.287 3.638 10 30 BHEERN N#CC1(C2=CC[C@H](C(F)(F)F)CC2)CCC1 ZINC000218364044 350090671 /nfs/dbraw/zinc/09/06/71/350090671.db2.gz MHHCJDXFCVBGTE-JTQLQIEISA-N 0 0 229.245 3.969 10 30 BHEERN N#CC1(C2=CC[C@@H](C(F)(F)F)CC2)CCC1 ZINC000218364115 350090977 /nfs/dbraw/zinc/09/09/77/350090977.db2.gz MHHCJDXFCVBGTE-SNVBAGLBSA-N 0 0 229.245 3.969 10 30 BHEERN N#CC1(C2=CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000218390647 350091836 /nfs/dbraw/zinc/09/18/36/350091836.db2.gz WTZMFNWFCLXSOB-JTQLQIEISA-N 0 0 229.245 3.969 10 30 BHEERN N#CC1(C2=CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000218390699 350091667 /nfs/dbraw/zinc/09/16/67/350091667.db2.gz WTZMFNWFCLXSOB-SNVBAGLBSA-N 0 0 229.245 3.969 10 30 BHEERN O=CC1(C2CCC(C(F)(F)F)CC2)CCC1 ZINC000218391247 350091451 /nfs/dbraw/zinc/09/14/51/350091451.db2.gz KTVKKPOVQOOOPJ-UHFFFAOYSA-N 0 0 234.261 3.724 10 30 BHEERN O=CC1(C2=CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000218403415 350092596 /nfs/dbraw/zinc/09/25/96/350092596.db2.gz AOFBGNDZXIKFSX-JTQLQIEISA-N 0 0 232.245 3.644 10 30 BHEERN O=CC1(C2=CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000218403490 350092758 /nfs/dbraw/zinc/09/27/58/350092758.db2.gz AOFBGNDZXIKFSX-SNVBAGLBSA-N 0 0 232.245 3.644 10 30 BHEERN N#CC1(C2=C[C@@H](C(F)(F)F)CCC2)CCC1 ZINC000218411234 350092587 /nfs/dbraw/zinc/09/25/87/350092587.db2.gz DEOAHCFFPVFJOV-JTQLQIEISA-N 0 0 229.245 3.969 10 30 BHEERN N#CC1(C2=C[C@H](C(F)(F)F)CCC2)CCC1 ZINC000218411301 350092521 /nfs/dbraw/zinc/09/25/21/350092521.db2.gz DEOAHCFFPVFJOV-SNVBAGLBSA-N 0 0 229.245 3.969 10 30 BHEERN COc1ccc(/N=C/CC(C)(C)C)cc1 ZINC000219598989 411312932 /nfs/dbraw/zinc/31/29/32/411312932.db2.gz QYSYVIFFESDKNG-GXDHUFHOSA-N 0 0 205.301 3.834 10 30 BHEERN C=CCCC(=O)c1cccc(Cl)c1C ZINC000220264841 358028786 /nfs/dbraw/zinc/02/87/86/358028786.db2.gz DNHQGJLMSMPUAQ-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC(C)=CC(=O)c1cccc(Cl)c1C ZINC000220273568 344130240 /nfs/dbraw/zinc/13/02/40/344130240.db2.gz YSVPDVMPEAVEMR-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC#CCCC(=O)c1cccc(Cl)c1C ZINC000220291459 344138450 /nfs/dbraw/zinc/13/84/50/344138450.db2.gz MTXCDIMXKPCRPY-UHFFFAOYSA-N 0 0 220.699 3.635 10 30 BHEERN C[C@H](S)c1c(Cl)cccc1Cl ZINC000220664401 344564650 /nfs/dbraw/zinc/56/46/50/344564650.db2.gz HECNYBRAZCFCLA-YFKPBYRVSA-N 0 0 207.125 3.984 10 30 BHEERN C[C@@H](S)c1c(Cl)cccc1Cl ZINC000220664470 344564379 /nfs/dbraw/zinc/56/43/79/344564379.db2.gz HECNYBRAZCFCLA-RXMQYKEDSA-N 0 0 207.125 3.984 10 30 BHEERN O/N=C1/c2ccccc2CCC12CCCCC2 ZINC000221090705 350195668 /nfs/dbraw/zinc/19/56/68/350195668.db2.gz NRSIQKSMNOUXEJ-PEZBUJJGSA-N 0 0 229.323 3.762 10 30 BHEERN CCC(F)(F)/C(F)=C(/F)C(F)(F)F ZINC000221267829 368416843 /nfs/dbraw/zinc/41/68/43/368416843.db2.gz VMAQWIWYDVTELO-ARJAWSKDSA-N 0 0 210.092 3.745 10 30 BHEERN C=C(C)C(=O)Oc1cccc(-c2ccccc2)c1 ZINC000221419144 345239985 /nfs/dbraw/zinc/23/99/85/345239985.db2.gz WQQAONCOSYWZQY-UHFFFAOYSA-N 0 0 238.286 3.835 10 30 BHEERN C[C@@H](Cc1ccccc1)/N=C\c1ccccc1F ZINC000221925575 640436895 /nfs/dbraw/zinc/43/68/95/640436895.db2.gz ZHYWRJFQAKYQQP-CYUIRQCWSA-N 0 0 241.309 3.876 10 30 BHEERN C[C@H](Cc1ccccc1)/N=C\c1ccccc1F ZINC000221925643 640436761 /nfs/dbraw/zinc/43/67/61/640436761.db2.gz ZHYWRJFQAKYQQP-FDIDITGRSA-N 0 0 241.309 3.876 10 30 BHEERN CC(C)=CC(=O)/C=C\c1ccc(C)cc1 ZINC000222063397 640449575 /nfs/dbraw/zinc/44/95/75/640449575.db2.gz UKXBXZZLVDWYEN-HJWRWDBZSA-N 0 0 200.281 3.544 10 30 BHEERN CC#CCC[C@]1(C)C(=O)C[C@]2(C)CCC[C@@]12C ZINC000222399455 640483195 /nfs/dbraw/zinc/48/31/95/640483195.db2.gz WMZNMQRXGPMRNR-ARFHVFGLSA-N 0 0 232.367 3.966 10 30 BHEERN CC(C)(C=O)CC1=C[C@@H]2C[C@H](C1)C2(C)C ZINC000223464446 133528766 /nfs/dbraw/zinc/52/87/66/133528766.db2.gz QNTDQTJRSJQIGL-NEPJUHHUSA-N 0 0 206.329 3.594 10 30 BHEERN C=CCC(=C)COc1ccccc1CC=C ZINC000223491719 344403816 /nfs/dbraw/zinc/40/38/16/344403816.db2.gz INHQILZBDUUQLE-UHFFFAOYSA-N 0 0 214.308 3.926 10 30 BHEERN CCCCCSc1cc(C)nc(C)c1C#N ZINC000223568186 386771911 /nfs/dbraw/zinc/77/19/11/386771911.db2.gz QPBLLFQAZSRVOJ-UHFFFAOYSA-N 0 0 234.368 3.852 10 30 BHEERN Fc1ccc(/N=C/c2cccc(F)c2)cc1 ZINC000223613736 398275409 /nfs/dbraw/zinc/27/54/09/398275409.db2.gz XWPLMVSHECOWCY-CXUHLZMHSA-N 0 0 217.218 3.715 10 30 BHEERN CSc1cc(Cl)c(C#N)c(Cl)c1 ZINC000223851609 357127324 /nfs/dbraw/zinc/12/73/24/357127324.db2.gz NDDSUKHAJJATBZ-UHFFFAOYSA-N 0 0 218.108 3.587 10 30 BHEERN CCCCCCC[C@H](O)c1ccc(N)cc1 ZINC000223989584 357175511 /nfs/dbraw/zinc/17/55/11/357175511.db2.gz QHVNLXAWZPLJJS-AWEZNQCLSA-N 0 0 221.344 3.663 10 30 BHEERN CCCCCCC[C@@H](O)c1ccc(N)cc1 ZINC000223989635 357175487 /nfs/dbraw/zinc/17/54/87/357175487.db2.gz QHVNLXAWZPLJJS-CQSZACIVSA-N 0 0 221.344 3.663 10 30 BHEERN N#C[C@@H]1OC12CCCCCCCCCCC2 ZINC000225231954 538111723 /nfs/dbraw/zinc/11/17/23/538111723.db2.gz BJWWABDCFKSMIY-ZDUSSCGKSA-N 0 0 221.344 3.952 10 30 BHEERN N#C[C@H]1OC12CCCCCCCCCCC2 ZINC000225231990 537841461 /nfs/dbraw/zinc/84/14/61/537841461.db2.gz BJWWABDCFKSMIY-CYBMUJFWSA-N 0 0 221.344 3.952 10 30 BHEERN Cc1ccc(/[N+]([O-])=C/c2ccccc2Cl)cc1 ZINC000225336434 370364691 /nfs/dbraw/zinc/36/46/91/370364691.db2.gz HORGRPQDWCWGSQ-YBEGLDIGSA-N 0 0 246.717 3.801 10 30 BHEERN [O-]/[N+](=C\c1cccs1)c1ccc(Cl)cc1 ZINC000225420985 370608020 /nfs/dbraw/zinc/60/80/20/370608020.db2.gz SJXOWWVCDAMAPS-JYRVWZFOSA-N 0 0 238.719 3.554 10 30 BHEERN CSc1ccc(/C=[N+](/[O-])c2ccccc2)cc1 ZINC000225421044 370608573 /nfs/dbraw/zinc/60/85/73/370608573.db2.gz QZHSOCAMZJLNMP-RVDMUPIBSA-N 0 0 244.339 3.561 10 30 BHEERN Cc1ccc(/[N+]([O-])=C/c2ccc(Cl)cc2)cc1 ZINC000225429083 370614367 /nfs/dbraw/zinc/61/43/67/370614367.db2.gz ZRRMXYWHCHIQRZ-YBEGLDIGSA-N 0 0 246.717 3.801 10 30 BHEERN Cc1ccc(/C=[N+](\[O-])c2ccc(Cl)cc2)cc1 ZINC000225429304 370614710 /nfs/dbraw/zinc/61/47/10/370614710.db2.gz GEECOEPQBWIPKI-YBEGLDIGSA-N 0 0 246.717 3.801 10 30 BHEERN Cc1ccc(Oc2cccc(F)c2C#N)cc1F ZINC000226418363 385014530 /nfs/dbraw/zinc/01/45/30/385014530.db2.gz DHNKVUCLHDNYAU-UHFFFAOYSA-N 0 0 245.228 3.937 10 30 BHEERN CC1(C)CCCC[C@@H]1C(=O)C1=CCCC1 ZINC000226530315 369121143 /nfs/dbraw/zinc/12/11/43/369121143.db2.gz VQHLXTSUDWUDIX-GFCCVEGCSA-N 0 0 206.329 3.882 10 30 BHEERN CC1(C)CCCC[C@H]1C(=O)C1=CCCC1 ZINC000226530321 369120691 /nfs/dbraw/zinc/12/06/91/369120691.db2.gz VQHLXTSUDWUDIX-LBPRGKRZSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CCC[C@@H]1C(=O)C1=CCCCCC1 ZINC000226530343 369120617 /nfs/dbraw/zinc/12/06/17/369120617.db2.gz POZDBUWEPFANFE-YPMHNXCESA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CCC[C@@H]1C(=O)C1=CCCCCC1 ZINC000226530351 369120580 /nfs/dbraw/zinc/12/05/80/369120580.db2.gz POZDBUWEPFANFE-AAEUAGOBSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CCC[C@H]1C(=O)C1=CCCCCC1 ZINC000226530359 369120747 /nfs/dbraw/zinc/12/07/47/369120747.db2.gz POZDBUWEPFANFE-DGCLKSJQSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CCC[C@H]1C(=O)C1=CCCCCC1 ZINC000226530364 369121350 /nfs/dbraw/zinc/12/13/50/369121350.db2.gz POZDBUWEPFANFE-WCQYABFASA-N 0 0 206.329 3.882 10 30 BHEERN Cc1occc1Sc1cccc(F)c1C#N ZINC000227585947 180545126 /nfs/dbraw/zinc/54/51/26/180545126.db2.gz VGOOBTOADONWEF-UHFFFAOYSA-N 0 0 233.267 3.750 10 30 BHEERN Cc1cc(SCCC(C)C)c(C#N)c(C)n1 ZINC000227594018 178218195 /nfs/dbraw/zinc/21/81/95/178218195.db2.gz KOZQBKZLHXQYKH-UHFFFAOYSA-N 0 0 234.368 3.708 10 30 BHEERN Cc1cc(S[C@@H](C)C(C)C)c(C#N)c(C)n1 ZINC000227594069 178218822 /nfs/dbraw/zinc/21/88/22/178218822.db2.gz BPLSPVHWZBCVST-NSHDSACASA-N 0 0 234.368 3.707 10 30 BHEERN Cc1cc(S[C@H](C)C(C)C)c(C#N)c(C)n1 ZINC000227594075 178219488 /nfs/dbraw/zinc/21/94/88/178219488.db2.gz BPLSPVHWZBCVST-LLVKDONJSA-N 0 0 234.368 3.707 10 30 BHEERN CC[C@@H](C)CSc1cc(C)nc(C)c1C#N ZINC000227594279 385248850 /nfs/dbraw/zinc/24/88/50/385248850.db2.gz LUDGERPCBZGYEO-SECBINFHSA-N 0 0 234.368 3.708 10 30 BHEERN CC[C@H](C)CSc1cc(C)nc(C)c1C#N ZINC000227594282 171293186 /nfs/dbraw/zinc/29/31/86/171293186.db2.gz LUDGERPCBZGYEO-VIFPVBQESA-N 0 0 234.368 3.708 10 30 BHEERN CC[C@@H](C)Sc1cc(F)cc(C#N)c1 ZINC000227638104 371911318 /nfs/dbraw/zinc/91/13/18/371911318.db2.gz FODQZWBENKCRNW-MRVPVSSYSA-N 0 0 209.289 3.588 10 30 BHEERN CC[C@H](C)Sc1cc(F)cc(C#N)c1 ZINC000227638108 371911155 /nfs/dbraw/zinc/91/11/55/371911155.db2.gz FODQZWBENKCRNW-QMMMGPOBSA-N 0 0 209.289 3.588 10 30 BHEERN C=C(C)CNc1c(F)cccc1Br ZINC000227781277 346274271 /nfs/dbraw/zinc/27/42/71/346274271.db2.gz JVHFIGCQFJGLBC-UHFFFAOYSA-N 0 0 244.107 3.576 10 30 BHEERN CC(C)[C@@H]1CCC=C2C[C@H](C)[C@H](C=O)C[C@H]21 ZINC000227955976 519801796 /nfs/dbraw/zinc/80/17/96/519801796.db2.gz MBYXHMPZSCQJAC-CYUUQNCZSA-N 0 0 220.356 3.840 10 30 BHEERN C=C[C@@H](C)Oc1cc(Br)ccc1C ZINC000228338099 359770466 /nfs/dbraw/zinc/77/04/66/359770466.db2.gz PCKMPLCFQHGKAV-SECBINFHSA-N 0 0 241.128 3.711 10 30 BHEERN C=C[C@H](C)Oc1cc(Br)ccc1C ZINC000228338109 359770432 /nfs/dbraw/zinc/77/04/32/359770432.db2.gz PCKMPLCFQHGKAV-VIFPVBQESA-N 0 0 241.128 3.711 10 30 BHEERN CC(C)(C#N)Cc1cccc(Cl)c1F ZINC000228392017 345334503 /nfs/dbraw/zinc/33/45/03/345334503.db2.gz MRDJMWIAXVJTJX-UHFFFAOYSA-N 0 0 211.667 3.571 10 30 BHEERN C/C=C/C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000228422091 372026304 /nfs/dbraw/zinc/02/63/04/372026304.db2.gz ZMHKXLXMEJPODG-NSCUHMNNSA-N 0 0 232.176 3.603 10 30 BHEERN N#Cc1ccc(Cl)cc1NCC1(C2CC2)CC1 ZINC000228666105 181112129 /nfs/dbraw/zinc/11/21/29/181112129.db2.gz QTHHVRHJVITAIA-UHFFFAOYSA-N 0 0 246.741 3.814 10 30 BHEERN N#Cc1cc(Cl)ccc1NCC1(C2CC2)CC1 ZINC000228666209 181085474 /nfs/dbraw/zinc/08/54/74/181085474.db2.gz RNTVDTYOLUDFDZ-UHFFFAOYSA-N 0 0 246.741 3.814 10 30 BHEERN N#Cc1ccc(NCC2(C3CC3)CC2)cc1Cl ZINC000228666895 181120619 /nfs/dbraw/zinc/12/06/19/181120619.db2.gz IKOPIWQKHMFYRZ-UHFFFAOYSA-N 0 0 246.741 3.814 10 30 BHEERN CC#CCCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000228674723 372066870 /nfs/dbraw/zinc/06/68/70/372066870.db2.gz QCKYTCADZHNSOY-UHFFFAOYSA-N 0 0 241.117 3.980 10 30 BHEERN CC#CCCC(=O)c1cc(Cl)ccc1C ZINC000228674921 372067575 /nfs/dbraw/zinc/06/75/75/372067575.db2.gz RCWZSFFTUUXKMU-UHFFFAOYSA-N 0 0 220.699 3.635 10 30 BHEERN CC#CCCC(=O)c1ccc(Cl)c(C)c1 ZINC000228675957 372067482 /nfs/dbraw/zinc/06/74/82/372067482.db2.gz IRUZFSJSJGWFBB-UHFFFAOYSA-N 0 0 220.699 3.635 10 30 BHEERN C=C(C)C(=O)Cc1cccc(Cl)c1Cl ZINC000228852651 351438887 /nfs/dbraw/zinc/43/88/87/351438887.db2.gz ZVTOFPKRJJJYRQ-UHFFFAOYSA-N 0 0 229.106 3.681 10 30 BHEERN C=CCNc1nc(Cl)c(Cl)cc1Cl ZINC000229298704 372138377 /nfs/dbraw/zinc/13/83/77/372138377.db2.gz KCZXXLQTWOBEPO-UHFFFAOYSA-N 0 0 237.517 3.640 10 30 BHEERN C#C[C@@H](CC)Nc1cc(Cl)ccc1Cl ZINC000229507281 372159683 /nfs/dbraw/zinc/15/96/83/372159683.db2.gz WZDNMNBQPWUZRG-VIFPVBQESA-N 0 0 228.122 3.817 10 30 BHEERN C#C[C@H](CC)Nc1cc(Cl)ccc1Cl ZINC000229507291 372159204 /nfs/dbraw/zinc/15/92/04/372159204.db2.gz WZDNMNBQPWUZRG-SECBINFHSA-N 0 0 228.122 3.817 10 30 BHEERN CC(C)[C@@H]1CCC=C2C[C@H](C)[C@@H](C=O)C[C@@H]21 ZINC000229816667 384187731 /nfs/dbraw/zinc/18/77/31/384187731.db2.gz MBYXHMPZSCQJAC-ATGSNQNLSA-N 0 0 220.356 3.840 10 30 BHEERN C[C@@H](S)c1cc(Br)cs1 ZINC000229861429 342778294 /nfs/dbraw/zinc/77/82/94/342778294.db2.gz FQOHDQIJZIBQOQ-SCSAIBSYSA-N 0 0 223.160 3.501 10 30 BHEERN C[C@H](S)c1cc(Br)cs1 ZINC000229861433 342778326 /nfs/dbraw/zinc/77/83/26/342778326.db2.gz FQOHDQIJZIBQOQ-BYPYZUCNSA-N 0 0 223.160 3.501 10 30 BHEERN CC(=O)C=C(C)c1cc(Br)cs1 ZINC000229872040 342837868 /nfs/dbraw/zinc/83/78/68/342837868.db2.gz IMXRWEGVWVDBQZ-UTCJRWHESA-N 0 0 245.141 3.503 10 30 BHEERN O=C1C=C(c2sccc2Cl)CCC1 ZINC000229948468 342858372 /nfs/dbraw/zinc/85/83/72/342858372.db2.gz OAMRDKJWRBRTLV-UHFFFAOYSA-N 0 0 212.701 3.538 10 30 BHEERN C=C(Cl)CNc1cc(F)cc(Cl)c1 ZINC000230009802 371633010 /nfs/dbraw/zinc/63/30/10/371633010.db2.gz COEAVATWWWGTHN-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN O=C1C=C(CCc2cccs2)CCCC1 ZINC000230163583 371864249 /nfs/dbraw/zinc/86/42/49/371864249.db2.gz AUGVJDHGZABCET-UHFFFAOYSA-N 0 0 220.337 3.750 10 30 BHEERN Cc1ccc(C2=CC(=O)CCCC2)cc1 ZINC000230164198 344416055 /nfs/dbraw/zinc/41/60/55/344416055.db2.gz OMQJDGDNRGVCJB-UHFFFAOYSA-N 0 0 200.281 3.522 10 30 BHEERN O=C1C=C(c2sccc2Cl)CCCC1 ZINC000230164365 353472083 /nfs/dbraw/zinc/47/20/83/353472083.db2.gz GKUKYFUXHCPUIZ-UHFFFAOYSA-N 0 0 226.728 3.928 10 30 BHEERN CC1CCC(C2=CC(=O)CCCC2)CC1 ZINC000230164971 371864751 /nfs/dbraw/zinc/86/47/51/371864751.db2.gz PDJDEEUOFZGNBM-UHFFFAOYSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CCC[C@@H](C2=CC(=O)CCCC2)C1 ZINC000230165082 371864775 /nfs/dbraw/zinc/86/47/75/371864775.db2.gz ZISWPFNVZOBXMI-VXGBXAGGSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CCC[C@@H](C2=CC(=O)CCCC2)C1 ZINC000230165085 371862728 /nfs/dbraw/zinc/86/27/28/371862728.db2.gz ZISWPFNVZOBXMI-NWDGAFQWSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CCC[C@H](C2=CC(=O)CCCC2)C1 ZINC000230165089 371862669 /nfs/dbraw/zinc/86/26/69/371862669.db2.gz ZISWPFNVZOBXMI-NEPJUHHUSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CCC[C@H](C2=CC(=O)CCCC2)C1 ZINC000230165093 371862724 /nfs/dbraw/zinc/86/27/24/371862724.db2.gz ZISWPFNVZOBXMI-RYUDHWBXSA-N 0 0 206.329 3.882 10 30 BHEERN SCc1ccc(Br)c(Cl)c1 ZINC000230278128 353484060 /nfs/dbraw/zinc/48/40/60/353484060.db2.gz BCFHUMRUHOXFNU-UHFFFAOYSA-N 0 0 237.549 3.532 10 30 BHEERN COc1ccc(/N=C/c2ccc(F)c(F)c2)cc1 ZINC000230453083 368418488 /nfs/dbraw/zinc/41/84/88/368418488.db2.gz ACHSDXUEKSOLTK-RQZCQDPDSA-N 0 0 247.244 3.724 10 30 BHEERN CCS[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000230922074 350058014 /nfs/dbraw/zinc/05/80/14/350058014.db2.gz DVIUMPQGGMMKML-ZIAGYGMSSA-N 0 0 246.379 3.644 10 30 BHEERN CCS[C@H]1CC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000230922077 371975913 /nfs/dbraw/zinc/97/59/13/371975913.db2.gz DVIUMPQGGMMKML-KGLIPLIRSA-N 0 0 246.379 3.644 10 30 BHEERN CCS[C@@H]1CC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000230922081 350058450 /nfs/dbraw/zinc/05/84/50/350058450.db2.gz DVIUMPQGGMMKML-UONOGXRCSA-N 0 0 246.379 3.644 10 30 BHEERN CCS[C@H]1CC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000230922084 135567436 /nfs/dbraw/zinc/56/74/36/135567436.db2.gz DVIUMPQGGMMKML-KBPBESRZSA-N 0 0 246.379 3.644 10 30 BHEERN C[Si](C)(C)C#Cc1ccc(F)c(Cl)c1 ZINC000231376561 372022660 /nfs/dbraw/zinc/02/26/60/372022660.db2.gz PXGQYACFIFZUBX-UHFFFAOYSA-N 0 0 226.754 3.708 10 30 BHEERN C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1CCC ZINC000231674920 388840187 /nfs/dbraw/zinc/84/01/87/388840187.db2.gz RCAFMNJKLZUGFE-UKRRQHHQSA-N 0 0 245.366 3.530 10 30 BHEERN CC(=O)/C(C)=C/c1ccc(C2CC2)cc1 ZINC000231745584 351288716 /nfs/dbraw/zinc/28/87/16/351288716.db2.gz KMVVDTALIDJLHE-MDZDMXLPSA-N 0 0 200.281 3.556 10 30 BHEERN CC(=O)/C(C)=C/c1sccc1Br ZINC000231745588 351288844 /nfs/dbraw/zinc/28/88/44/351288844.db2.gz GXGHSRDNJQZBBK-AATRIKPKSA-N 0 0 245.141 3.503 10 30 BHEERN CC(=O)/C(C)=C/c1ccc(Br)s1 ZINC000231745942 353649804 /nfs/dbraw/zinc/64/98/04/353649804.db2.gz LCEVWXGWEHLWDD-AATRIKPKSA-N 0 0 245.141 3.503 10 30 BHEERN CC(=O)/C(C)=C/c1cc(Br)cs1 ZINC000231746146 351287074 /nfs/dbraw/zinc/28/70/74/351287074.db2.gz UBJGNCQSHYENCE-ZZXKWVIFSA-N 0 0 245.141 3.503 10 30 BHEERN C=C(Cl)CNc1cc(F)ccc1Cl ZINC000231817865 351377983 /nfs/dbraw/zinc/37/79/83/351377983.db2.gz YYVADQGAFDEKOT-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN N#Cc1cnc2c(Cl)ccc(F)c2c1Cl ZINC000231820954 385728848 /nfs/dbraw/zinc/72/88/48/385728848.db2.gz YCFVDCHRSOAUPK-UHFFFAOYSA-N 0 0 241.052 3.552 10 30 BHEERN C=CCNc1cc(C)c(Br)c(C)c1 ZINC000232033650 386154063 /nfs/dbraw/zinc/15/40/63/386154063.db2.gz QOEFIVKYTKUARU-UHFFFAOYSA-N 0 0 240.144 3.664 10 30 BHEERN C=C(Cl)CNc1cc(C)ccc1Cl ZINC000232242733 352577042 /nfs/dbraw/zinc/57/70/42/352577042.db2.gz ZDEHWALMVRXCDF-UHFFFAOYSA-N 0 0 216.111 3.813 10 30 BHEERN C=C(C)C[C@H](O)c1ccc(Cl)cc1C ZINC000232461924 352719731 /nfs/dbraw/zinc/71/97/31/352719731.db2.gz JUSVQFZSTQLUNY-LBPRGKRZSA-N 0 0 210.704 3.648 10 30 BHEERN CC=CC(=O)Cc1c(Cl)cccc1Cl ZINC000232472053 386645817 /nfs/dbraw/zinc/64/58/17/386645817.db2.gz JYJZVXDCBZVQPH-DUXPYHPUSA-N 0 0 229.106 3.681 10 30 BHEERN N#Cc1csc2c1cccc2Br ZINC000232481679 398190625 /nfs/dbraw/zinc/19/06/25/398190625.db2.gz ITHTZLJLQQKAKK-UHFFFAOYSA-N 0 0 238.109 3.535 10 30 BHEERN CC(C)(C#N)Cc1ccc(Cl)c(F)c1 ZINC000232523336 353106458 /nfs/dbraw/zinc/10/64/58/353106458.db2.gz QBBRQGUWTOLCDV-UHFFFAOYSA-N 0 0 211.667 3.571 10 30 BHEERN C=C(C)Cn1ccc2cccc(Cl)c21 ZINC000232554952 353127821 /nfs/dbraw/zinc/12/78/21/353127821.db2.gz AGHLPZQRRGAPCX-UHFFFAOYSA-N 0 0 205.688 3.871 10 30 BHEERN CC(C)=CC(=O)Cc1cc(Cl)ccc1F ZINC000232555094 353127967 /nfs/dbraw/zinc/12/79/67/353127967.db2.gz HCUVJNUHCXJEDD-UHFFFAOYSA-N 0 0 226.678 3.557 10 30 BHEERN CC(C)=CC(=O)Cc1ccc(Cl)c(F)c1 ZINC000232555354 353127840 /nfs/dbraw/zinc/12/78/40/353127840.db2.gz XCJWTGPSAKSJEA-UHFFFAOYSA-N 0 0 226.678 3.557 10 30 BHEERN CC#CC[C@@H](O)c1cc(Cl)sc1Cl ZINC000232560427 353133837 /nfs/dbraw/zinc/13/38/37/353133837.db2.gz KSVUSNCWAYZLEU-SSDOTTSWSA-N 0 0 235.135 3.502 10 30 BHEERN C/C=C/C(=O)c1cc(Cl)ccc1Cl ZINC000232561122 353133730 /nfs/dbraw/zinc/13/37/30/353133730.db2.gz OFMYZCBISWRTCS-NSCUHMNNSA-N 0 0 215.079 3.752 10 30 BHEERN C=C(C)[C@@H](O)c1cc(Cl)sc1Cl ZINC000232561288 353133703 /nfs/dbraw/zinc/13/37/03/353133703.db2.gz SPMXYBDERXEJHV-SSDOTTSWSA-N 0 0 223.124 3.664 10 30 BHEERN C/C=C/C(=O)c1cccc(Cl)c1Cl ZINC000232561863 353133708 /nfs/dbraw/zinc/13/37/08/353133708.db2.gz TWICMXUKSJLLLF-DUXPYHPUSA-N 0 0 215.079 3.752 10 30 BHEERN CC(C)=CC(=O)c1cc(F)ccc1Cl ZINC000232562073 353132563 /nfs/dbraw/zinc/13/25/63/353132563.db2.gz ALASHTJROAXBLR-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN CC(C)=CC(=O)c1ccc(C)cc1Cl ZINC000232562320 353132584 /nfs/dbraw/zinc/13/25/84/353132584.db2.gz HYCDQSXOGNKWOE-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC(C)=CC(=O)c1ccc(Cl)c(F)c1 ZINC000232562375 353132809 /nfs/dbraw/zinc/13/28/09/353132809.db2.gz OHZXBFKCLVYAOV-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN CC(C)=CC(=O)c1ccc(Cl)cc1C ZINC000232562466 353132412 /nfs/dbraw/zinc/13/24/12/353132412.db2.gz LUNFDQJBWTZMJA-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC(C)=CC(=O)c1cccc(OC(F)(F)F)c1 ZINC000232562817 353133392 /nfs/dbraw/zinc/13/33/92/353133392.db2.gz ZPNGAECNPUFTMP-UHFFFAOYSA-N 0 0 244.212 3.734 10 30 BHEERN CC(C)=CC(=O)c1ccccc1OC(F)(F)F ZINC000232563070 350661251 /nfs/dbraw/zinc/66/12/51/350661251.db2.gz PUUMFBFPRZBBBD-UHFFFAOYSA-N 0 0 244.212 3.734 10 30 BHEERN CC(C)=CC(=O)c1cscc1Br ZINC000232563839 353133460 /nfs/dbraw/zinc/13/34/60/353133460.db2.gz GWMCFWNBTIGYQT-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN CC(C)=CC(=O)c1scc(C)c1Cl ZINC000232564031 353133384 /nfs/dbraw/zinc/13/33/84/353133384.db2.gz RDVYKEFCMNJOKM-UHFFFAOYSA-N 0 0 214.717 3.859 10 30 BHEERN C=C(C)[C@H](O)c1cc(Cl)sc1Cl ZINC000232567862 353134464 /nfs/dbraw/zinc/13/44/64/353134464.db2.gz SPMXYBDERXEJHV-ZETCQYMHSA-N 0 0 223.124 3.664 10 30 BHEERN CC#CC[C@H](O)c1cc(Cl)sc1Cl ZINC000232568502 353134467 /nfs/dbraw/zinc/13/44/67/353134467.db2.gz KSVUSNCWAYZLEU-ZETCQYMHSA-N 0 0 235.135 3.502 10 30 BHEERN C=C(C)C(=O)c1cc(Cl)sc1Cl ZINC000232579116 353736492 /nfs/dbraw/zinc/73/64/92/353736492.db2.gz YHBQYIPVADWARD-UHFFFAOYSA-N 0 0 221.108 3.814 10 30 BHEERN C=C(C)C(=O)c1ccc(F)c2ccccc12 ZINC000232579625 343963886 /nfs/dbraw/zinc/96/38/86/343963886.db2.gz KQUOUFCRXIWIFY-UHFFFAOYSA-N 0 0 214.239 3.738 10 30 BHEERN C=C(C)C(=O)c1cccc(C)c1Br ZINC000232579804 353736082 /nfs/dbraw/zinc/73/60/82/353736082.db2.gz CENXVJGGAFLDQL-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)C(=O)c1ccccc1C1CCC1 ZINC000232580144 353136939 /nfs/dbraw/zinc/13/69/39/353136939.db2.gz XGKSEUKSSSJVOU-UHFFFAOYSA-N 0 0 200.281 3.713 10 30 BHEERN CC=C=CC(=O)c1cc(Cl)sc1Cl ZINC000232654589 353153820 /nfs/dbraw/zinc/15/38/20/353153820.db2.gz WLWYTELUAUSDEZ-UHFFFAOYSA-N 0 0 233.119 3.651 10 30 BHEERN CC#CCCC(=O)c1scc(C)c1Cl ZINC000232660557 353155211 /nfs/dbraw/zinc/15/52/11/353155211.db2.gz LRIQUTKEYLPPCG-UHFFFAOYSA-N 0 0 226.728 3.696 10 30 BHEERN CC(C)=CC(=O)c1ccccc1OC(C)C ZINC000232690574 353173465 /nfs/dbraw/zinc/17/34/65/353173465.db2.gz GPVPPKKWIJBAKA-UHFFFAOYSA-N 0 0 218.296 3.623 10 30 BHEERN Cc1csc(C(=O)[C@H](C#N)C(C)C)c1Cl ZINC000232708376 353759892 /nfs/dbraw/zinc/75/98/92/353759892.db2.gz BVXCEKQLAXDDNS-MRVPVSSYSA-N 0 0 241.743 3.688 10 30 BHEERN Cc1csc(C(=O)[C@@H](C#N)C(C)C)c1Cl ZINC000232708741 372155062 /nfs/dbraw/zinc/15/50/62/372155062.db2.gz BVXCEKQLAXDDNS-QMMMGPOBSA-N 0 0 241.743 3.688 10 30 BHEERN CCC1CCC(c2noc(CCCC#N)n2)CC1 ZINC000232885772 535323785 /nfs/dbraw/zinc/32/37/85/535323785.db2.gz ORSKRJBDHKFTST-UHFFFAOYSA-N 0 0 247.342 3.600 10 30 BHEERN CCCc1ccc(C(=O)C=C(C)C)cc1 ZINC000233395993 363401049 /nfs/dbraw/zinc/40/10/49/363401049.db2.gz JMPJVYJODNQEBD-UHFFFAOYSA-N 0 0 202.297 3.788 10 30 BHEERN CCO/C=C/C(=O)c1cccc(Cl)c1Cl ZINC000233640527 541508872 /nfs/dbraw/zinc/50/88/72/541508872.db2.gz CKRGCTYBUGDUIB-VOTSOKGWSA-N 0 0 245.105 3.726 10 30 BHEERN CCO[C@@H](C#N)c1cc(Cl)ccc1Cl ZINC000233740589 342880266 /nfs/dbraw/zinc/88/02/66/342880266.db2.gz JANZHDHDJBXPHL-JTQLQIEISA-N 0 0 230.094 3.595 10 30 BHEERN CCO[C@H](C#N)c1cc(Cl)ccc1Cl ZINC000233771140 342882680 /nfs/dbraw/zinc/88/26/80/342882680.db2.gz JANZHDHDJBXPHL-SNVBAGLBSA-N 0 0 230.094 3.595 10 30 BHEERN CCSc1ccc(C(=O)C=C(C)C)cc1 ZINC000233866854 342893309 /nfs/dbraw/zinc/89/33/09/342893309.db2.gz VAOUNWVJRJVRAD-UHFFFAOYSA-N 0 0 220.337 3.948 10 30 BHEERN C=CCCC(=O)c1ccc(SCC)cc1 ZINC000233867006 342893350 /nfs/dbraw/zinc/89/33/50/342893350.db2.gz XQBWNQVGWHKZCA-UHFFFAOYSA-N 0 0 220.337 3.948 10 30 BHEERN CC[C@@H](Nc1nc(Cl)c(C#N)s1)C(C)C ZINC000233903104 342898070 /nfs/dbraw/zinc/89/80/70/342898070.db2.gz YQTRAEWGEYNJRT-SSDOTTSWSA-N 0 0 243.763 3.515 10 30 BHEERN CC[C@@H](S)c1cccc(Br)c1 ZINC000233913232 342900601 /nfs/dbraw/zinc/90/06/01/342900601.db2.gz RWFBGTVFTGHWBA-SECBINFHSA-N 0 0 231.158 3.830 10 30 BHEERN CC[C@@H]1CC[C@@H](C(=O)C2=CCCCC2)C1 ZINC000233939677 343136149 /nfs/dbraw/zinc/13/61/49/343136149.db2.gz QBRSUBAZVXFRII-DGCLKSJQSA-N 0 0 206.329 3.882 10 30 BHEERN CC[C@@H]1CC[C@H](C(=O)C2=CCCCC2)C1 ZINC000233954050 342911632 /nfs/dbraw/zinc/91/16/32/342911632.db2.gz QBRSUBAZVXFRII-YPMHNXCESA-N 0 0 206.329 3.882 10 30 BHEERN CC[C@H](Nc1nc(Cl)c(C#N)s1)C(C)C ZINC000234035422 343126302 /nfs/dbraw/zinc/12/63/02/343126302.db2.gz YQTRAEWGEYNJRT-ZETCQYMHSA-N 0 0 243.763 3.515 10 30 BHEERN CC[C@H](S)c1cccc(Br)c1 ZINC000234041489 343275467 /nfs/dbraw/zinc/27/54/67/343275467.db2.gz RWFBGTVFTGHWBA-VIFPVBQESA-N 0 0 231.158 3.830 10 30 BHEERN CC[C@H]1CC[C@@H](C(=O)C2=CCCCC2)C1 ZINC000234074115 343320745 /nfs/dbraw/zinc/32/07/45/343320745.db2.gz QBRSUBAZVXFRII-WCQYABFASA-N 0 0 206.329 3.882 10 30 BHEERN CC[C@H]1CC[C@H](C(=O)C2=CCCCC2)C1 ZINC000234096889 343350749 /nfs/dbraw/zinc/35/07/49/343350749.db2.gz QBRSUBAZVXFRII-AAEUAGOBSA-N 0 0 206.329 3.882 10 30 BHEERN C/C=C(/CC)C(=O)c1cc(F)cc(F)c1 ZINC000234113142 343323910 /nfs/dbraw/zinc/32/39/10/343323910.db2.gz UJSKZIAUKWXWMJ-BAQGIRSFSA-N 0 0 210.223 3.504 10 30 BHEERN C/C=C(/CC)C(=O)c1cc(F)ccc1C ZINC000234113162 343323721 /nfs/dbraw/zinc/32/37/21/343323721.db2.gz GWTAEFUZFDBOJF-WMZJFQQLSA-N 0 0 206.260 3.673 10 30 BHEERN C/C=C(/CC)C(=O)c1ccc(Cl)cc1 ZINC000234113607 343390126 /nfs/dbraw/zinc/39/01/26/343390126.db2.gz LRCDZKYQVJXKHN-OQFOIZHKSA-N 0 0 208.688 3.879 10 30 BHEERN C/C=C(/CC)C(=O)c1ccc(F)c(F)c1 ZINC000234113709 343388816 /nfs/dbraw/zinc/38/88/16/343388816.db2.gz UAWPJHGOWKZPFL-BAQGIRSFSA-N 0 0 210.223 3.504 10 30 BHEERN CCc1cccc(C(=O)C2=CCCC2)c1 ZINC000234165842 343532520 /nfs/dbraw/zinc/53/25/20/343532520.db2.gz HEPVGDIGVRDUIK-UHFFFAOYSA-N 0 0 200.281 3.542 10 30 BHEERN C[C@H](C(=O)C1=CCCCCCC1)C1CC1 ZINC000235064631 344760349 /nfs/dbraw/zinc/76/03/49/344760349.db2.gz SETQKDCRTXIERM-NSHDSACASA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H](C#N)CC(=O)c1cc(Cl)ccc1Cl ZINC000235078233 344765433 /nfs/dbraw/zinc/76/54/33/344765433.db2.gz LZQSWMLAWGBMQT-ZETCQYMHSA-N 0 0 242.105 3.726 10 30 BHEERN C=C[C@@H](C)Nc1ccc(Br)cc1C ZINC000235209992 344845045 /nfs/dbraw/zinc/84/50/45/344845045.db2.gz WUYXNAXERMRAQV-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1cccc(Cl)c1Cl ZINC000235210871 343857312 /nfs/dbraw/zinc/85/73/12/343857312.db2.gz YPRNMNAQZRDBRG-SSDOTTSWSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@@H](C)Nc1ccc(Br)cc1F ZINC000235211556 344846689 /nfs/dbraw/zinc/84/66/89/344846689.db2.gz LOBBMUYLUWFGNL-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000235215055 344846760 /nfs/dbraw/zinc/84/67/60/344846760.db2.gz XNWOZCONWOOGBM-SSDOTTSWSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000235218018 343861723 /nfs/dbraw/zinc/86/17/23/343861723.db2.gz ILLGBCUZUFDQNY-SSDOTTSWSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@@H](C)Nc1cc(Cl)ccc1Cl ZINC000235218541 344846467 /nfs/dbraw/zinc/84/64/67/344846467.db2.gz IRADOCQKFSPDPI-SSDOTTSWSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@@H](C)Nc1cc(Br)ccc1C ZINC000235221131 344849292 /nfs/dbraw/zinc/84/92/92/344849292.db2.gz BZSPFWHHLJURBG-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1cc(Br)ccc1F ZINC000235222529 344848953 /nfs/dbraw/zinc/84/89/53/344848953.db2.gz YUUAHUWDHDSPEA-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@@H](C)Nc1ccc(Cl)cc1Cl ZINC000235223773 344849076 /nfs/dbraw/zinc/84/90/76/344849076.db2.gz UPMYSAZMIQVGDT-SSDOTTSWSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@@H](C)Nc1ccc(F)c(Br)c1 ZINC000235234080 344852755 /nfs/dbraw/zinc/85/27/55/344852755.db2.gz PLOPRAPWFBAFPC-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@@H](C)Nc1cc(F)ccc1Br ZINC000235236970 344853043 /nfs/dbraw/zinc/85/30/43/344853043.db2.gz DDIXCNCBQQMAHG-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@@H](C)Nc1cccc(Br)c1C ZINC000235238857 344852994 /nfs/dbraw/zinc/85/29/94/344852994.db2.gz NSJZNTKIGWUURF-MRVPVSSYSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1ccc(F)cc1Br ZINC000235241650 343880067 /nfs/dbraw/zinc/88/00/67/343880067.db2.gz RIZGWRWLIFOGJI-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@@H](C)Nc1c(Cl)cc(N)cc1Cl ZINC000235243290 344856189 /nfs/dbraw/zinc/85/61/89/344856189.db2.gz DOOFOSYCJWZHHY-ZCFIWIBFSA-N 0 0 231.126 3.562 10 30 BHEERN C=C[C@@H](C)Nc1cccc(C)c1Br ZINC000235246748 344856800 /nfs/dbraw/zinc/85/68/00/344856800.db2.gz NNXVADXDGIYIRM-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1c(Cl)cccc1Cl ZINC000235247295 343882402 /nfs/dbraw/zinc/88/24/02/343882402.db2.gz ZYXNLZAGXLOWJE-SSDOTTSWSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@@H](C)Nc1c(F)cccc1Br ZINC000235258217 344859751 /nfs/dbraw/zinc/85/97/51/344859751.db2.gz NYGDDXPEVZPFBF-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@@H](C)Nc1ccc(C)c(Br)c1 ZINC000235259372 344859767 /nfs/dbraw/zinc/85/97/67/344859767.db2.gz JXLHRJBQTXSSCZ-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1ccc(Br)c(C)c1 ZINC000235264133 344863786 /nfs/dbraw/zinc/86/37/86/344863786.db2.gz OVJLVLCZLOLSCY-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1cc(C)cc(Br)c1 ZINC000235270832 344869948 /nfs/dbraw/zinc/86/99/48/344869948.db2.gz CPTZPGTWQYOLJO-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1ccc(C)cc1Br ZINC000235272901 343947739 /nfs/dbraw/zinc/94/77/39/343947739.db2.gz SBBSDHCTVFDVGV-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1cc(C)ccc1Br ZINC000235273222 344870028 /nfs/dbraw/zinc/87/00/28/344870028.db2.gz VZFAAYUFMMGRKV-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@@H](C)Nc1ccc(Br)c(F)c1 ZINC000235274228 344870815 /nfs/dbraw/zinc/87/08/15/344870815.db2.gz AYJMKUONEVBAQN-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=CCCCCCOc1cccc([C@@H](C)O)c1 ZINC000235281323 632606442 /nfs/dbraw/zinc/60/64/42/632606442.db2.gz YYBQQNDCOLGAGY-CYBMUJFWSA-N 0 0 234.339 3.865 10 30 BHEERN C[C@H]1CC=C(C(=O)c2cccs2)CC1 ZINC000235294684 344875716 /nfs/dbraw/zinc/87/57/16/344875716.db2.gz FALXWHHHXWXVBE-VIFPVBQESA-N 0 0 206.310 3.677 10 30 BHEERN C[C@@H](S)c1ccc(F)cc1Br ZINC000235303162 344879622 /nfs/dbraw/zinc/87/96/22/344879622.db2.gz NZCZLIUYQVSOCZ-RXMQYKEDSA-N 0 0 235.121 3.579 10 30 BHEERN C[C@@H](S)c1cccc(Cl)c1Cl ZINC000235303335 344879656 /nfs/dbraw/zinc/87/96/56/344879656.db2.gz YYTVYIIKDQMIRZ-RXMQYKEDSA-N 0 0 207.125 3.984 10 30 BHEERN C[C@@H](C#N)CC(=O)c1cc(Cl)ccc1Cl ZINC000235427197 343981766 /nfs/dbraw/zinc/98/17/66/343981766.db2.gz LZQSWMLAWGBMQT-SSDOTTSWSA-N 0 0 242.105 3.726 10 30 BHEERN C[C@@H](C(=O)C1=CCCCCCC1)C1CC1 ZINC000235427434 344909386 /nfs/dbraw/zinc/90/93/86/344909386.db2.gz SETQKDCRTXIERM-LLVKDONJSA-N 0 0 206.329 3.882 10 30 BHEERN C=C[C@H](C)Nc1ccc(Cl)cc1Cl ZINC000235518310 344929742 /nfs/dbraw/zinc/92/97/42/344929742.db2.gz UPMYSAZMIQVGDT-ZETCQYMHSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@H](C)Nc1cc(F)ccc1Br ZINC000235522742 344931979 /nfs/dbraw/zinc/93/19/79/344931979.db2.gz DDIXCNCBQQMAHG-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1ccc(F)c(Br)c1 ZINC000235523382 344931668 /nfs/dbraw/zinc/93/16/68/344931668.db2.gz PLOPRAPWFBAFPC-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1cccc(Br)c1C ZINC000235529546 344930331 /nfs/dbraw/zinc/93/03/31/344930331.db2.gz NSJZNTKIGWUURF-QMMMGPOBSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1ccc(F)cc1Br ZINC000235529734 344930364 /nfs/dbraw/zinc/93/03/64/344930364.db2.gz RIZGWRWLIFOGJI-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1c(Cl)cc(N)cc1Cl ZINC000235531506 344933107 /nfs/dbraw/zinc/93/31/07/344933107.db2.gz DOOFOSYCJWZHHY-LURJTMIESA-N 0 0 231.126 3.562 10 30 BHEERN C=C[C@H](C)Nc1ccc(C)c(Br)c1 ZINC000235532757 344932996 /nfs/dbraw/zinc/93/29/96/344932996.db2.gz JXLHRJBQTXSSCZ-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1c(Cl)cccc1Cl ZINC000235533266 344933294 /nfs/dbraw/zinc/93/32/94/344933294.db2.gz ZYXNLZAGXLOWJE-ZETCQYMHSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@H](C)Nc1cc(C)cc(Br)c1 ZINC000235535607 344933036 /nfs/dbraw/zinc/93/30/36/344933036.db2.gz CPTZPGTWQYOLJO-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1cccc(C)c1Br ZINC000235536274 344934039 /nfs/dbraw/zinc/93/40/39/344934039.db2.gz NNXVADXDGIYIRM-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1cc(C)ccc1Br ZINC000235538302 344933702 /nfs/dbraw/zinc/93/37/02/344933702.db2.gz VZFAAYUFMMGRKV-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1ccc(Br)c(C)c1 ZINC000235540040 344933619 /nfs/dbraw/zinc/93/36/19/344933619.db2.gz OVJLVLCZLOLSCY-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1c(F)cccc1Br ZINC000235540645 344936410 /nfs/dbraw/zinc/93/64/10/344936410.db2.gz NYGDDXPEVZPFBF-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1ccc(C)cc1Br ZINC000235541434 344936612 /nfs/dbraw/zinc/93/66/12/344936612.db2.gz SBBSDHCTVFDVGV-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1ccc(Br)c(F)c1 ZINC000235544518 344937412 /nfs/dbraw/zinc/93/74/12/344937412.db2.gz AYJMKUONEVBAQN-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1cccc(Cl)c1Cl ZINC000235547405 343997761 /nfs/dbraw/zinc/99/77/61/343997761.db2.gz YPRNMNAQZRDBRG-ZETCQYMHSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@H](C)Nc1ccc(Br)cc1C ZINC000235548857 344937964 /nfs/dbraw/zinc/93/79/64/344937964.db2.gz WUYXNAXERMRAQV-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1ccc(Br)cc1F ZINC000235550204 344938133 /nfs/dbraw/zinc/93/81/33/344938133.db2.gz LOBBMUYLUWFGNL-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1cc(Br)ccc1C ZINC000235553485 344940336 /nfs/dbraw/zinc/94/03/36/344940336.db2.gz BZSPFWHHLJURBG-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C[C@H](Nc1nc(Cl)c(C#N)s1)C(C)(C)C ZINC000235553806 344940371 /nfs/dbraw/zinc/94/03/71/344940371.db2.gz UKJMDFFKJWQTHH-LURJTMIESA-N 0 0 243.763 3.515 10 30 BHEERN C=C[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000235555034 344940013 /nfs/dbraw/zinc/94/00/13/344940013.db2.gz ILLGBCUZUFDQNY-ZETCQYMHSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@H](C)Nc1cc(Br)ccc1F ZINC000235555151 344940257 /nfs/dbraw/zinc/94/02/57/344940257.db2.gz YUUAHUWDHDSPEA-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000235555410 343996039 /nfs/dbraw/zinc/99/60/39/343996039.db2.gz XNWOZCONWOOGBM-ZETCQYMHSA-N 0 0 216.111 3.980 10 30 BHEERN C=C[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000235559845 344938146 /nfs/dbraw/zinc/93/81/46/344938146.db2.gz IRADOCQKFSPDPI-ZETCQYMHSA-N 0 0 216.111 3.980 10 30 BHEERN C[C@H](S)c1ccc(F)cc1Br ZINC000235566117 344944349 /nfs/dbraw/zinc/94/43/49/344944349.db2.gz NZCZLIUYQVSOCZ-YFKPBYRVSA-N 0 0 235.121 3.579 10 30 BHEERN C[C@H](S)c1cccc(Cl)c1Cl ZINC000235566206 344944442 /nfs/dbraw/zinc/94/44/42/344944442.db2.gz YYTVYIIKDQMIRZ-YFKPBYRVSA-N 0 0 207.125 3.984 10 30 BHEERN C=CCCCCCOc1cccc([C@H](C)O)c1 ZINC000235574783 632789309 /nfs/dbraw/zinc/78/93/09/632789309.db2.gz YYBQQNDCOLGAGY-ZDUSSCGKSA-N 0 0 234.339 3.865 10 30 BHEERN C[C@@H]1CC=C(C(=O)c2cccs2)CC1 ZINC000235618566 344956043 /nfs/dbraw/zinc/95/60/43/344956043.db2.gz FALXWHHHXWXVBE-SECBINFHSA-N 0 0 206.310 3.677 10 30 BHEERN C=CCCC(=O)c1ccc(C)cc1Cl ZINC000235784737 343056171 /nfs/dbraw/zinc/05/61/71/343056171.db2.gz PDRYNIKUJIYIFC-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN Cc1ccc(SC(C)(C)C)c(C#N)c1 ZINC000235787861 345870642 /nfs/dbraw/zinc/87/06/42/345870642.db2.gz DBTJEKYMOLYITR-UHFFFAOYSA-N 0 0 205.326 3.757 10 30 BHEERN C=CCc1c(C)c(Br)c(C)cc1O ZINC000235792988 344132707 /nfs/dbraw/zinc/13/27/07/344132707.db2.gz RISNQDZHVYJUPJ-UHFFFAOYSA-N 0 0 241.128 3.500 10 30 BHEERN Cc1ncsc1C(=O)C1=CCCCCC1 ZINC000235795119 345904697 /nfs/dbraw/zinc/90/46/97/345904697.db2.gz XZFLNMOYSNEPPW-UHFFFAOYSA-N 0 0 221.325 3.525 10 30 BHEERN C=CCCC(=O)c1ccc(Cl)cc1C ZINC000235797021 343056382 /nfs/dbraw/zinc/05/63/82/343056382.db2.gz PSFDWMDNTCEJIS-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN CC=CC(=O)c1cc(Cl)sc1Cl ZINC000236034843 346185179 /nfs/dbraw/zinc/18/51/79/346185179.db2.gz MFJQKIAMLZIBSK-UHFFFAOYSA-N 0 0 221.108 3.814 10 30 BHEERN O=C(Cc1ccc(Cl)s1)C1=CCCC1 ZINC000236049256 346186439 /nfs/dbraw/zinc/18/64/39/346186439.db2.gz FVWAUNUFGMHTQF-UHFFFAOYSA-N 0 0 226.728 3.623 10 30 BHEERN N#CCc1nc(-c2csc(Cl)c2)cs1 ZINC000236075012 346189175 /nfs/dbraw/zinc/18/91/75/346189175.db2.gz QLLGHMYZOVYMIG-UHFFFAOYSA-N 0 0 240.740 3.591 10 30 BHEERN O=C(C1=CCCC1)c1ccc(Cl)c(F)c1 ZINC000236161436 346203365 /nfs/dbraw/zinc/20/33/65/346203365.db2.gz BIXVOBRGKVCRMP-UHFFFAOYSA-N 0 0 224.662 3.772 10 30 BHEERN C=CCCC(=O)c1ccc(Cl)c(F)c1 ZINC000236174364 343077898 /nfs/dbraw/zinc/07/78/98/343077898.db2.gz IGVPTHDYAFJHSA-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN O=C(C1=CCCC1)c1cc(F)ccc1Cl ZINC000236197569 346206398 /nfs/dbraw/zinc/20/63/98/346206398.db2.gz RPIPEDPCJGQOAW-UHFFFAOYSA-N 0 0 224.662 3.772 10 30 BHEERN O=C(Cc1cccs1)C1=CCCCCC1 ZINC000236402752 346235842 /nfs/dbraw/zinc/23/58/42/346235842.db2.gz UNHBGEQMOSOTGP-UHFFFAOYSA-N 0 0 220.337 3.750 10 30 BHEERN O=C(C=C1CCCCC1)Cc1cccs1 ZINC000236402842 346235704 /nfs/dbraw/zinc/23/57/04/346235704.db2.gz MOMMMDUTFHMHBX-UHFFFAOYSA-N 0 0 220.337 3.750 10 30 BHEERN SCc1cc(Br)ccc1Cl ZINC000236584845 346252753 /nfs/dbraw/zinc/25/27/53/346252753.db2.gz DYVZPKHACPOKTQ-UHFFFAOYSA-N 0 0 237.549 3.532 10 30 BHEERN C#CC1(c2ccc(Br)cc2)CCC1 ZINC000237999598 582496086 /nfs/dbraw/zinc/49/60/86/582496086.db2.gz ZSXFDMILVHKSCC-UHFFFAOYSA-N 0 0 235.124 3.504 10 30 BHEERN N#CCc1cccc2cc(Br)ccc21 ZINC000238022947 360534308 /nfs/dbraw/zinc/53/43/08/360534308.db2.gz VHJXLMZNPXYUMU-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN N#CCc1cccc2c(Br)cccc12 ZINC000238068632 360543508 /nfs/dbraw/zinc/54/35/08/360543508.db2.gz BTFQRHJWSHVHCA-UHFFFAOYSA-N 0 0 246.107 3.668 10 30 BHEERN C=C[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000238140086 344974032 /nfs/dbraw/zinc/97/40/32/344974032.db2.gz RANHDLWYOASZFB-GFCCVEGCSA-N 0 0 239.359 3.646 10 30 BHEERN CCC[C@H](CCC#N)Cc1ccc(O)cc1 ZINC000238224245 343252459 /nfs/dbraw/zinc/25/24/59/343252459.db2.gz HGSWBTYHOYKPDV-GFCCVEGCSA-N 0 0 217.312 3.655 10 30 BHEERN CCC[C@H](CCC#N)Cc1cccc(O)c1 ZINC000238224267 343252619 /nfs/dbraw/zinc/25/26/19/343252619.db2.gz RPSNIZSSMRDUMT-GFCCVEGCSA-N 0 0 217.312 3.655 10 30 BHEERN CCC[C@H](C=O)c1ccc(Br)cc1 ZINC000238262900 360768005 /nfs/dbraw/zinc/76/80/05/360768005.db2.gz PGQAAQAGQZMMRJ-SNVBAGLBSA-N 0 0 241.128 3.532 10 30 BHEERN Cc1ccc(C)c(C#C[Si](C)(C)C)c1 ZINC000238452607 361078486 /nfs/dbraw/zinc/07/84/86/361078486.db2.gz ZTFVJCAURSMIHI-UHFFFAOYSA-N 0 0 202.373 3.532 10 30 BHEERN Cc1c(Cl)cccc1C#C[Si](C)(C)C ZINC000238468463 361087556 /nfs/dbraw/zinc/08/75/56/361087556.db2.gz RDMNGTUNSVWRAD-UHFFFAOYSA-N 0 0 222.791 3.877 10 30 BHEERN Cc1ccc(Cl)cc1C#C[Si](C)(C)C ZINC000238484372 361115378 /nfs/dbraw/zinc/11/53/78/361115378.db2.gz FHZBCKBYLQAGFI-UHFFFAOYSA-N 0 0 222.791 3.877 10 30 BHEERN Cc1cc(Cl)ccc1C#C[Si](C)(C)C ZINC000238508951 345064677 /nfs/dbraw/zinc/06/46/77/345064677.db2.gz OAXRNWDBJZLZCX-UHFFFAOYSA-N 0 0 222.791 3.877 10 30 BHEERN C[Si](C)(C)C#Cc1cc(F)cc(Cl)c1 ZINC000238517210 345065948 /nfs/dbraw/zinc/06/59/48/345065948.db2.gz CFWYDKCUPRFQSC-UHFFFAOYSA-N 0 0 226.754 3.708 10 30 BHEERN C[Si](C)(C)C#Cc1ccc(Cl)c(F)c1 ZINC000238517505 345066254 /nfs/dbraw/zinc/06/62/54/345066254.db2.gz FHDIHDDKMQTIFS-UHFFFAOYSA-N 0 0 226.754 3.708 10 30 BHEERN Cc1cc(C)c(C#C[Si](C)(C)C)cc1C ZINC000238533333 361143612 /nfs/dbraw/zinc/14/36/12/361143612.db2.gz ZUBIFUPTHIAGIP-UHFFFAOYSA-N 0 0 216.400 3.841 10 30 BHEERN N#CCc1cccc2cc(Cl)ccc21 ZINC000238535509 345072109 /nfs/dbraw/zinc/07/21/09/345072109.db2.gz SDUPNXJLUJVGBK-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN N#CCc1cccc2ccc(Cl)cc21 ZINC000238536696 398339333 /nfs/dbraw/zinc/33/93/33/398339333.db2.gz IMTKIXBUBVXJKD-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN N#CCc1c(Cl)ccc2ccccc21 ZINC000238536801 384707161 /nfs/dbraw/zinc/70/71/61/384707161.db2.gz VMXWPYHFERCGET-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN Cc1ccc(C#C[Si](C)(C)C)cc1Cl ZINC000238541496 345073565 /nfs/dbraw/zinc/07/35/65/345073565.db2.gz AQOBJNNVZBFWHB-UHFFFAOYSA-N 0 0 222.791 3.877 10 30 BHEERN FC(F)(F)C#Cc1cc(Cl)ccc1Cl ZINC000238548811 537819227 /nfs/dbraw/zinc/81/92/27/537819227.db2.gz NOXCUMXJJIAPMW-UHFFFAOYSA-N 0 0 239.023 3.907 10 30 BHEERN N#CCc1cc2ccccc2cc1Cl ZINC000238556916 345077805 /nfs/dbraw/zinc/07/78/05/345077805.db2.gz KDOVZWYLXOWBRZ-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN C=C(c1sccc1N)C1CCCCC1 ZINC000238571504 385255764 /nfs/dbraw/zinc/25/57/64/385255764.db2.gz HUDOAZLQAUPNDV-UHFFFAOYSA-N 0 0 207.342 3.924 10 30 BHEERN N#CCc1cccc2cccc(Cl)c21 ZINC000238614361 345092938 /nfs/dbraw/zinc/09/29/38/345092938.db2.gz GUQBTYCJQWUPCV-UHFFFAOYSA-N 0 0 201.656 3.559 10 30 BHEERN C=C(C)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@H]2C1 ZINC000238733714 322816910 /nfs/dbraw/zinc/81/69/10/322816910.db2.gz DPQYOKVMVCQHMY-CBBWQLFWSA-N 0 0 222.372 3.920 10 30 endogenous,in-man BHEERN CC1=C2CC[C@H](C)C[C@@H]2[C@@H](C(C)C)CC1=O ZINC000238790952 168091617 /nfs/dbraw/zinc/09/16/17/168091617.db2.gz BAXDUIVVBWNUFA-GDLCADMTSA-N 0 0 220.356 3.984 10 30 BHEERN CCC[C@@H](C=O)c1ccc(Br)cc1 ZINC000238794838 361380287 /nfs/dbraw/zinc/38/02/87/361380287.db2.gz PGQAAQAGQZMMRJ-JTQLQIEISA-N 0 0 241.128 3.532 10 30 BHEERN CCC[C@@H](CCC#N)Cc1ccc(O)cc1 ZINC000238795286 343258627 /nfs/dbraw/zinc/25/86/27/343258627.db2.gz HGSWBTYHOYKPDV-LBPRGKRZSA-N 0 0 217.312 3.655 10 30 BHEERN CCC[C@@H](CCC#N)Cc1cccc(O)c1 ZINC000238795287 343258534 /nfs/dbraw/zinc/25/85/34/343258534.db2.gz RPSNIZSSMRDUMT-LBPRGKRZSA-N 0 0 217.312 3.655 10 30 BHEERN C[C@H](CC#N)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000251438498 135093628 /nfs/dbraw/zinc/09/36/28/135093628.db2.gz ALLLEJORADJKAI-GHMZBOCLSA-N 0 0 236.746 3.635 10 30 BHEERN C[C@H](c1ccc(Cl)cc1)N(C)[C@@H](C)CC#N ZINC000251438499 135093553 /nfs/dbraw/zinc/09/35/53/135093553.db2.gz ALLLEJORADJKAI-WDEREUQCSA-N 0 0 236.746 3.635 10 30 BHEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccccc1F ZINC000251582454 344071131 /nfs/dbraw/zinc/07/11/31/344071131.db2.gz WJTYVTOQYYNMIA-HUBLWGQQSA-N 0 0 246.329 3.559 10 30 BHEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccccc1F ZINC000251582460 344071123 /nfs/dbraw/zinc/07/11/23/344071123.db2.gz WJTYVTOQYYNMIA-SLEUVZQESA-N 0 0 246.329 3.559 10 30 BHEERN CC(=NO)c1ccc(-c2ccccc2)cc1 ZINC000252369940 345516612 /nfs/dbraw/zinc/51/66/12/345516612.db2.gz GPYKKVAVBZNFOZ-UHFFFAOYSA-N 0 0 211.264 3.552 10 30 BHEERN CC(C)(C)c1cc(C=NO)cc(C(C)(C)C)c1O ZINC000252369994 644847928 /nfs/dbraw/zinc/84/79/28/644847928.db2.gz MHAZQZQNQAMVMT-UHFFFAOYSA-N 0 0 249.354 3.795 10 30 BHEERN CC[C@H](C)S[C@@H]1CCCCC[C@H]1C#N ZINC000252436397 363247712 /nfs/dbraw/zinc/24/77/12/363247712.db2.gz OWJWWQHVTAFXHC-SDDRHHMPSA-N 0 0 211.374 3.991 10 30 BHEERN CC[C@H](C)S[C@H]1CCCCC[C@H]1C#N ZINC000252436398 363247986 /nfs/dbraw/zinc/24/79/86/363247986.db2.gz OWJWWQHVTAFXHC-SRVKXCTJSA-N 0 0 211.374 3.991 10 30 BHEERN CC(C)[C@@H]1CCC=C2C[C@H](C)[C@H](C=O)C[C@@H]21 ZINC000252517587 519801856 /nfs/dbraw/zinc/80/18/56/519801856.db2.gz MBYXHMPZSCQJAC-MXAVVETBSA-N 0 0 220.356 3.840 10 30 BHEERN CCCCCCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000252701245 635712341 /nfs/dbraw/zinc/71/23/41/635712341.db2.gz COWDPLDAKFSKLN-BTTYYORXSA-N 0 0 237.387 3.509 10 30 BHEERN Cc1ccc(C=Nc2ccc(C#N)cc2)s1 ZINC000254292539 388635001 /nfs/dbraw/zinc/63/50/01/388635001.db2.gz MEXGSVSJAJWMRG-UHFFFAOYSA-N 0 0 226.304 3.679 10 30 BHEERN N#Cc1cccc(N=Cc2cccc(Cl)c2)c1 ZINC000254296733 385673423 /nfs/dbraw/zinc/67/34/23/385673423.db2.gz KVXAOSBRLDBYJB-UHFFFAOYSA-N 0 0 240.693 3.962 10 30 BHEERN Oc1ccc(N=Cc2c[nH]c3ccccc23)cc1 ZINC000254301004 388638778 /nfs/dbraw/zinc/63/87/78/388638778.db2.gz YSJOHAQUDMOXRF-UHFFFAOYSA-N 0 0 236.274 3.624 10 30 BHEERN Cc1ccc([N+](=O)[O-])cc1N=Cc1cccs1 ZINC000254303495 345701088 /nfs/dbraw/zinc/70/10/88/345701088.db2.gz ISJOPSXWNJNGGY-UHFFFAOYSA-N 0 0 246.291 3.715 10 30 BHEERN Cc1ccc(N=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254307826 350936696 /nfs/dbraw/zinc/93/66/96/350936696.db2.gz GSOZSSDYIVFJRF-UHFFFAOYSA-N 0 0 240.262 3.654 10 30 BHEERN Oc1ccc2ccccc2c1C=Nc1ccncc1 ZINC000254307915 388639366 /nfs/dbraw/zinc/63/93/66/388639366.db2.gz KDENKZSIDMLZSZ-UHFFFAOYSA-N 0 0 248.285 3.691 10 30 BHEERN Cc1cccc(C=Nc2cccc(C#N)c2)c1 ZINC000254348689 385688392 /nfs/dbraw/zinc/68/83/92/385688392.db2.gz ISLUBGZGJLEURO-UHFFFAOYSA-N 0 0 220.275 3.617 10 30 BHEERN Cc1ccc(C=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000254349451 345697803 /nfs/dbraw/zinc/69/78/03/345697803.db2.gz PZHYCUFBBDDVKW-UHFFFAOYSA-N 0 0 240.262 3.654 10 30 BHEERN COc1ccc(N=Cc2ccc(F)cc2)cc1 ZINC000254393820 345698391 /nfs/dbraw/zinc/69/83/91/345698391.db2.gz RAXZKIAJTMJMLN-UHFFFAOYSA-N 0 0 229.254 3.585 10 30 BHEERN Oc1ccc2ccccc2c1C=Nc1cccnc1 ZINC000254482622 388781569 /nfs/dbraw/zinc/78/15/69/388781569.db2.gz URFRPBXPIPHXNL-UHFFFAOYSA-N 0 0 248.285 3.691 10 30 BHEERN ON=C(c1ccccc1)c1ccccc1Cl ZINC000254490534 388783800 /nfs/dbraw/zinc/78/38/00/388783800.db2.gz VZGCWPMHKLHOAG-UHFFFAOYSA-N 0 0 231.682 3.567 10 30 BHEERN Oc1ccc(C=Nc2ccc(Cl)cc2)cc1O ZINC000254577804 398319551 /nfs/dbraw/zinc/31/95/51/398319551.db2.gz LCOKEDZUTVJLKM-UHFFFAOYSA-N 0 0 247.681 3.502 10 30 BHEERN CC(=NO)/C(C)=C\c1ccc(Cl)cc1 ZINC000254606497 519350334 /nfs/dbraw/zinc/35/03/34/519350334.db2.gz MHTJEUOFLVQMCL-CGYLSCAZSA-N 0 0 209.676 3.593 10 30 BHEERN CC(=NO)/C(C)=C/c1ccc(Cl)cc1 ZINC000254606502 519352073 /nfs/dbraw/zinc/35/20/73/519352073.db2.gz MHTJEUOFLVQMCL-UNTXJBCESA-N 0 0 209.676 3.593 10 30 BHEERN CC[C@@]1(c2cccc(OC)c2)CCCCC1=NO ZINC000254708380 523746253 /nfs/dbraw/zinc/74/62/53/523746253.db2.gz DXQBIKXUBNQJPG-HNNXBMFYSA-N 0 0 247.338 3.747 10 30 BHEERN CC[C@]1(c2cccc(OC)c2)CCCCC1=NO ZINC000254708383 523630577 /nfs/dbraw/zinc/63/05/77/523630577.db2.gz DXQBIKXUBNQJPG-OAHLLOKOSA-N 0 0 247.338 3.747 10 30 BHEERN Cc1ccc(C(=NO)c2ccccc2)cc1C ZINC000254756830 345712753 /nfs/dbraw/zinc/71/27/53/345712753.db2.gz JBFRSULLPBRHSX-UHFFFAOYSA-N 0 0 225.291 3.530 10 30 BHEERN COc1ccc(N=Cc2ccc(C)cc2)cc1 ZINC000254814030 350946533 /nfs/dbraw/zinc/94/65/33/350946533.db2.gz UFPMTVFOMMJDMG-UHFFFAOYSA-N 0 0 225.291 3.754 10 30 BHEERN Cc1ccc(N=Cc2cccs2)cc1 ZINC000254816473 345715404 /nfs/dbraw/zinc/71/54/04/345715404.db2.gz GYARZCLYECUPMA-UHFFFAOYSA-N 0 0 201.294 3.807 10 30 BHEERN CCOC=Nc1ccc(Cl)c(Cl)c1 ZINC000254820053 388369922 /nfs/dbraw/zinc/36/99/22/388369922.db2.gz TYDIEUACUMZKHK-UHFFFAOYSA-N 0 0 218.083 3.690 10 30 BHEERN CC(=NO)c1sc2scc(C)c2c1C ZINC000254837829 519351755 /nfs/dbraw/zinc/35/17/55/519351755.db2.gz VNRNZOKQGWBYHV-UHFFFAOYSA-N 0 0 225.338 3.778 10 30 BHEERN CC(=Nc1ccccc1)c1cccs1 ZINC000254843809 519350692 /nfs/dbraw/zinc/35/06/92/519350692.db2.gz PTTOCOGNGIXZRZ-UHFFFAOYSA-N 0 0 201.294 3.889 10 30 BHEERN CCOc1ccc(N=Cc2cccs2)cc1 ZINC000254872556 345718515 /nfs/dbraw/zinc/71/85/15/345718515.db2.gz QZPYBAUMMRHNJG-UHFFFAOYSA-N 0 0 231.320 3.897 10 30 BHEERN Cc1cccc(C=Nc2ccccc2C#N)c1 ZINC000254876135 388387414 /nfs/dbraw/zinc/38/74/14/388387414.db2.gz HUJAGHHZYIHIBT-UHFFFAOYSA-N 0 0 220.275 3.617 10 30 BHEERN CCOc1ccc(N=Cc2ccc(O)cc2)cc1 ZINC000254901791 345720009 /nfs/dbraw/zinc/72/00/09/345720009.db2.gz MEYXUKYINZWWBO-UHFFFAOYSA-N 0 0 241.290 3.542 10 30 BHEERN COc1ccc(N=Cc2cccs2)cc1 ZINC000255992983 345764721 /nfs/dbraw/zinc/76/47/21/345764721.db2.gz ORWHLIROYKRIJT-UHFFFAOYSA-N 0 0 217.293 3.507 10 30 BHEERN Fc1ccc(N=Cc2cccs2)cc1 ZINC000256011374 345764689 /nfs/dbraw/zinc/76/46/89/345764689.db2.gz XNLBJIUTCRYNKB-UHFFFAOYSA-N 0 0 205.257 3.638 10 30 BHEERN CSC(=NC#N)Sc1c(C)cccc1C ZINC000256080951 525285828 /nfs/dbraw/zinc/28/58/28/525285828.db2.gz RHEHLHMJKOWAAM-UHFFFAOYSA-N 0 0 236.365 3.596 10 30 BHEERN COc1ccc(N=C(Cl)C(F)(F)F)cc1 ZINC000256082857 585013317 /nfs/dbraw/zinc/01/33/17/585013317.db2.gz CIRVADWNFWYATJ-UHFFFAOYSA-N 0 0 237.608 3.526 10 30 BHEERN C[C@@H]1CC(=O)C=C2CC[C@H](C(C)(C)C)C[C@H]21 ZINC000256090318 344151446 /nfs/dbraw/zinc/15/14/46/344151446.db2.gz NPEWVIACCSYRRQ-OSMZGAPFSA-N 0 0 220.356 3.984 10 30 BHEERN Cc1ccc(C=Nc2ccc(C#N)cc2)cc1 ZINC000256233064 345763504 /nfs/dbraw/zinc/76/35/04/345763504.db2.gz UQBQQMKBXSJPDJ-UHFFFAOYSA-N 0 0 220.275 3.617 10 30 BHEERN CCCC(C=O)(c1ccccc1)c1ccccc1 ZINC000256244947 349388844 /nfs/dbraw/zinc/38/88/44/349388844.db2.gz FMFBZQDKJCIYSM-UHFFFAOYSA-N 0 0 238.330 3.972 10 30 BHEERN CCC/C=C/C=Nc1ccccc1C(=O)OC ZINC000256797443 345766871 /nfs/dbraw/zinc/76/68/71/345766871.db2.gz IGAVEPCBGZDTJY-WDDQBVTESA-N 0 0 231.295 3.532 10 30 BHEERN CCCCCc1ccc(C(C)=NO)cc1 ZINC000256960143 345769431 /nfs/dbraw/zinc/76/94/31/345769431.db2.gz WMBIDOSUXWMCSJ-UHFFFAOYSA-N 0 0 205.301 3.618 10 30 BHEERN ON=C/C(=C(/Cl)C(F)(F)F)c1ccccc1 ZINC000257350780 345772671 /nfs/dbraw/zinc/77/26/71/345772671.db2.gz ADLJYFYSDNWAMU-GPKHQEQRSA-N 0 0 249.619 3.659 10 30 BHEERN ON=C/C(=C(\Cl)C(F)(F)F)c1ccccc1 ZINC000257350781 345772833 /nfs/dbraw/zinc/77/28/33/345772833.db2.gz ADLJYFYSDNWAMU-HZKWKUAXSA-N 0 0 249.619 3.659 10 30 BHEERN CCOC=Nc1ccc2ccsc2c1 ZINC000257351003 345773647 /nfs/dbraw/zinc/77/36/47/345773647.db2.gz BNUFEYLLIUKVJP-UHFFFAOYSA-N 0 0 205.282 3.598 10 30 BHEERN ON=C1CC[C@H](c2ccccc2)c2ccccc21 ZINC000257351236 345773626 /nfs/dbraw/zinc/77/36/26/345773626.db2.gz CUNFMDVPFQXOLA-CYBMUJFWSA-N 0 0 237.302 3.791 10 30 BHEERN ON=C1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000257351237 345773560 /nfs/dbraw/zinc/77/35/60/345773560.db2.gz CUNFMDVPFQXOLA-ZDUSSCGKSA-N 0 0 237.302 3.791 10 30 BHEERN CC(=O)c1ccc(N=Cc2ccc(F)cc2)cc1 ZINC000257351740 345773869 /nfs/dbraw/zinc/77/38/69/345773869.db2.gz GVCBVTGBFQTTFB-UHFFFAOYSA-N 0 0 241.265 3.779 10 30 BHEERN CCC/C=C\C=Nc1ccccc1C(=O)OC ZINC000257351972 351045648 /nfs/dbraw/zinc/04/56/48/351045648.db2.gz IGAVEPCBGZDTJY-MBCYWTQPSA-N 0 0 231.295 3.532 10 30 BHEERN Cc1ccc(N=Cc2ccc(C#N)cc2)cc1 ZINC000257352040 345773859 /nfs/dbraw/zinc/77/38/59/345773859.db2.gz IRCYPZGHGCCFMZ-UHFFFAOYSA-N 0 0 220.275 3.617 10 30 BHEERN CC(C)(C)OC(=O)N=Cc1ccc(Cl)cc1 ZINC000257352884 518818980 /nfs/dbraw/zinc/81/89/80/518818980.db2.gz NZWWXKWBUQUIIT-UHFFFAOYSA-N 0 0 239.702 3.694 10 30 BHEERN CC(=O)c1ccc(N=Cc2cccs2)cc1 ZINC000257352972 344105723 /nfs/dbraw/zinc/10/57/23/344105723.db2.gz OONFHWFVJJQXIL-UHFFFAOYSA-N 0 0 229.304 3.701 10 30 BHEERN Cc1ccc(O)c(N=Cc2ccc(F)cc2)c1 ZINC000257353070 345774409 /nfs/dbraw/zinc/77/44/09/345774409.db2.gz PERNMEZVJZOVRO-UHFFFAOYSA-N 0 0 229.254 3.590 10 30 BHEERN C(=Nc1ccccc1)c1cccc2cc[nH]c21 ZINC000257353171 345774474 /nfs/dbraw/zinc/77/44/74/345774474.db2.gz PSACOYHKXCXPQK-UHFFFAOYSA-N 0 0 220.275 3.919 10 30 BHEERN COc1cccc(C=Nc2ccc(C)cc2)c1 ZINC000257353349 345774209 /nfs/dbraw/zinc/77/42/09/345774209.db2.gz QQIVJOVRFNVBHY-UHFFFAOYSA-N 0 0 225.291 3.754 10 30 BHEERN CC(=O)c1cccc(N=Cc2ccc(F)cc2)c1 ZINC000257353457 345774374 /nfs/dbraw/zinc/77/43/74/345774374.db2.gz RGDYWIDNRKCTKH-UHFFFAOYSA-N 0 0 241.265 3.779 10 30 BHEERN COc1ccc(OC)c(N=Cc2cccs2)c1 ZINC000257354616 345774967 /nfs/dbraw/zinc/77/49/67/345774967.db2.gz YURFKPBYJIMEQZ-UHFFFAOYSA-N 0 0 247.319 3.516 10 30 BHEERN Cc1c(N=Cc2cccs2)cccc1[N+](=O)[O-] ZINC000257354694 345775061 /nfs/dbraw/zinc/77/50/61/345775061.db2.gz ZGJUENWNOUNWRU-UHFFFAOYSA-N 0 0 246.291 3.715 10 30 BHEERN N#CC1(Cc2ccc(Cl)cc2Cl)CC1 ZINC000258996965 384732092 /nfs/dbraw/zinc/73/20/92/384732092.db2.gz BCTPUXOAOUAUQV-UHFFFAOYSA-N 0 0 226.106 3.840 10 30 BHEERN N#CC1(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000259043194 384762931 /nfs/dbraw/zinc/76/29/31/384762931.db2.gz FRLMUKIYJMDEQC-UHFFFAOYSA-N 0 0 226.106 3.840 10 30 BHEERN N#CC1(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000259364253 385358829 /nfs/dbraw/zinc/35/88/29/385358829.db2.gz ZQIRVNNDSSDWFN-UHFFFAOYSA-N 0 0 225.213 3.552 10 30 BHEERN N#Cc1sc2ccccc2c1Br ZINC000259887518 344698401 /nfs/dbraw/zinc/69/84/01/344698401.db2.gz WAIYAUSEFDBRMT-UHFFFAOYSA-N 0 0 238.109 3.535 10 30 BHEERN C[C@@](F)(C#N)c1ccc(Cl)c(Cl)c1 ZINC000260869933 385992021 /nfs/dbraw/zinc/99/20/21/385992021.db2.gz LHAMHWPKIBXTKW-SECBINFHSA-N 0 0 218.058 3.702 10 30 BHEERN C[C@](F)(C#N)c1ccc(Cl)c(Cl)c1 ZINC000260869935 385991700 /nfs/dbraw/zinc/99/17/00/385991700.db2.gz LHAMHWPKIBXTKW-VIFPVBQESA-N 0 0 218.058 3.702 10 30 BHEERN N#CCCCc1ccc(N2CCCCC2)cc1 ZINC000261059536 349791631 /nfs/dbraw/zinc/79/16/31/349791631.db2.gz RLVHNCBLPCAOCG-UHFFFAOYSA-N 0 0 228.339 3.523 10 30 BHEERN N#Cc1cnccc1-c1ccc(C(F)(F)F)cc1 ZINC000261210763 349820648 /nfs/dbraw/zinc/82/06/48/349820648.db2.gz HGBFTHRFQILFPJ-UHFFFAOYSA-N 0 0 248.207 3.639 10 30 BHEERN N#C[C@H](C(=O)c1ccccc1)C1CCCCC1 ZINC000261507736 398121135 /nfs/dbraw/zinc/12/11/35/398121135.db2.gz LQHFDNIUFOFHNF-AWEZNQCLSA-N 0 0 227.307 3.589 10 30 BHEERN N#C[C@@H](C(=O)c1ccccc1)C1CCCCC1 ZINC000261507737 398121127 /nfs/dbraw/zinc/12/11/27/398121127.db2.gz LQHFDNIUFOFHNF-CQSZACIVSA-N 0 0 227.307 3.589 10 30 BHEERN Cc1cc(C#N)cc(C)c1Cc1ccccc1 ZINC000261508397 188371061 /nfs/dbraw/zinc/37/10/61/188371061.db2.gz RYQPYXXCTKJBJH-UHFFFAOYSA-N 0 0 221.303 3.766 10 30 BHEERN C=C1C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@@H]12 ZINC000263598280 534449460 /nfs/dbraw/zinc/44/94/60/534449460.db2.gz HRYLQFBHBWLLLL-KBPBESRZSA-N 0 0 232.323 3.551 10 30 BHEERN C=C1C(=O)O[C@H]2C=C(C)CCC=C(C)CC[C@H]12 ZINC000263598281 187233662 /nfs/dbraw/zinc/23/36/62/187233662.db2.gz HRYLQFBHBWLLLL-KGLIPLIRSA-N 0 0 232.323 3.551 10 30 BHEERN C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)CC[C@H]12 ZINC000263598282 188260058 /nfs/dbraw/zinc/26/00/58/188260058.db2.gz HRYLQFBHBWLLLL-ZIAGYGMSSA-N 0 0 232.323 3.551 10 30 BHEERN CCOc1ccccc1C=Nc1cccc(O)c1 ZINC000263630977 386311314 /nfs/dbraw/zinc/31/13/14/386311314.db2.gz SATRVNOEIDPIFG-UHFFFAOYSA-N 0 0 241.290 3.542 10 30 BHEERN CC(C)(C)C=C=CC(=O)c1ccc(Cl)o1 ZINC000300725926 360415302 /nfs/dbraw/zinc/41/53/02/360415302.db2.gz DDVPOCFYSZSRDM-UHFFFAOYSA-N 0 0 224.687 3.555 10 30 BHEERN Cc1ccsc1C(=O)C=C=CC(C)(C)C ZINC000300728460 343324199 /nfs/dbraw/zinc/32/41/99/343324199.db2.gz DYOWGDYSPZXDLF-UHFFFAOYSA-N 0 0 220.337 3.679 10 30 BHEERN CC(C)(C)C#CCC(=O)CC1CCCC1 ZINC000300739062 360423837 /nfs/dbraw/zinc/42/38/37/360423837.db2.gz HYQZJMQBXIKIJE-UHFFFAOYSA-N 0 0 206.329 3.575 10 30 BHEERN Cc1cscc1C(=O)C=C=CC(C)(C)C ZINC000300788076 360503176 /nfs/dbraw/zinc/50/31/76/360503176.db2.gz SQYUBCCSVFKEAN-UHFFFAOYSA-N 0 0 220.337 3.679 10 30 BHEERN C=C(Cl)CNc1cccc(C)c1Cl ZINC000300839196 360532244 /nfs/dbraw/zinc/53/22/44/360532244.db2.gz DXUIPBAEPPLPNO-UHFFFAOYSA-N 0 0 216.111 3.813 10 30 BHEERN C=C(Cl)CNc1ccc(Cl)cc1C ZINC000300961292 363229184 /nfs/dbraw/zinc/22/91/84/363229184.db2.gz NQUWTGNWXJGRSP-UHFFFAOYSA-N 0 0 216.111 3.813 10 30 BHEERN C[C@H](CCC1CCCC1)Nc1ncccc1C#N ZINC000301333171 388610783 /nfs/dbraw/zinc/61/07/83/388610783.db2.gz FGLGYIDJRFXNIY-GFCCVEGCSA-N 0 0 243.354 3.724 10 30 BHEERN C[C@@H](CCC1CCCC1)Nc1ncccc1C#N ZINC000301333173 388610888 /nfs/dbraw/zinc/61/08/88/388610888.db2.gz FGLGYIDJRFXNIY-LBPRGKRZSA-N 0 0 243.354 3.724 10 30 BHEERN C/C=C/CCNc1c(Cl)cccc1C#N ZINC000301360176 388612346 /nfs/dbraw/zinc/61/23/46/388612346.db2.gz AAINFFOOBBIGQD-NSCUHMNNSA-N 0 0 220.703 3.590 10 30 BHEERN C[C@H](CCC1CCCC1)Nc1ccc(C#N)cn1 ZINC000301381551 388612278 /nfs/dbraw/zinc/61/22/78/388612278.db2.gz YUVZDHHKANDUCB-GFCCVEGCSA-N 0 0 243.354 3.724 10 30 BHEERN C[C@@H](CCC1CCCC1)Nc1ccc(C#N)cn1 ZINC000301381552 388612285 /nfs/dbraw/zinc/61/22/85/388612285.db2.gz YUVZDHHKANDUCB-LBPRGKRZSA-N 0 0 243.354 3.724 10 30 BHEERN C=CCCC(=O)c1cccc(OC(F)(F)F)c1 ZINC000304493794 371793435 /nfs/dbraw/zinc/79/34/35/371793435.db2.gz DAROYQPCEGRASL-UHFFFAOYSA-N 0 0 244.212 3.734 10 30 BHEERN C=C[C@@H](C)Sc1ccc(Br)cn1 ZINC000306147873 371991536 /nfs/dbraw/zinc/99/15/36/371991536.db2.gz ABNOIJZIPGVXJI-SSDOTTSWSA-N 0 0 244.157 3.511 10 30 BHEERN C=C[C@H](C)Sc1ccc(Br)cn1 ZINC000306147874 371991212 /nfs/dbraw/zinc/99/12/12/371991212.db2.gz ABNOIJZIPGVXJI-ZETCQYMHSA-N 0 0 244.157 3.511 10 30 BHEERN C[C@@H](C#N)Sc1ccc(Cl)cc1Cl ZINC000306185960 359001701 /nfs/dbraw/zinc/00/17/01/359001701.db2.gz AXCSIAHAGMZGQI-LURJTMIESA-N 0 0 232.135 3.998 10 30 BHEERN C[C@H](C#N)Sc1ccc(Cl)cc1Cl ZINC000306185962 359001685 /nfs/dbraw/zinc/00/16/85/359001685.db2.gz AXCSIAHAGMZGQI-ZCFIWIBFSA-N 0 0 232.135 3.998 10 30 BHEERN N#C[C@H]1CCO[C@H]1c1cc(Cl)sc1Cl ZINC000306190732 359014015 /nfs/dbraw/zinc/01/40/15/359014015.db2.gz FTKGMTKEOGXBSB-SVGQVSJJSA-N 0 0 248.134 3.656 10 30 BHEERN N#C[C@@H]1CCO[C@@H]1c1cc(Cl)sc1Cl ZINC000306190733 359014145 /nfs/dbraw/zinc/01/41/45/359014145.db2.gz FTKGMTKEOGXBSB-XNCJUZBTSA-N 0 0 248.134 3.656 10 30 BHEERN N#C[C@H]1CCO[C@@H]1c1cc(Cl)sc1Cl ZINC000306190734 359014155 /nfs/dbraw/zinc/01/41/55/359014155.db2.gz FTKGMTKEOGXBSB-XRGYYRRGSA-N 0 0 248.134 3.656 10 30 BHEERN N#C[C@@H]1CCO[C@H]1c1cc(Cl)sc1Cl ZINC000306190735 359014168 /nfs/dbraw/zinc/01/41/68/359014168.db2.gz FTKGMTKEOGXBSB-YLWLKBPMSA-N 0 0 248.134 3.656 10 30 BHEERN O=C1CCCC=C1c1ccsc1Cl ZINC000306193981 359021945 /nfs/dbraw/zinc/02/19/45/359021945.db2.gz CZDJARWKRZJWCC-UHFFFAOYSA-N 0 0 212.701 3.538 10 30 BHEERN O=C1CCCC=C1c1sccc1Cl ZINC000306195486 371997630 /nfs/dbraw/zinc/99/76/30/371997630.db2.gz ZENZNXDPKISPQK-UHFFFAOYSA-N 0 0 212.701 3.538 10 30 BHEERN CC[C@@](C)(C#N)c1ncc(Cl)cc1Cl ZINC000306202498 359292417 /nfs/dbraw/zinc/29/24/17/359292417.db2.gz WHNISUFSDLDWDA-JTQLQIEISA-N 0 0 229.110 3.580 10 30 BHEERN CC[C@](C)(C#N)c1ncc(Cl)cc1Cl ZINC000306202499 359292555 /nfs/dbraw/zinc/29/25/55/359292555.db2.gz WHNISUFSDLDWDA-SNVBAGLBSA-N 0 0 229.110 3.580 10 30 BHEERN C=C([C@H](O)c1ccsc1Cl)C(F)(F)F ZINC000306219966 359338982 /nfs/dbraw/zinc/33/89/82/359338982.db2.gz GYRDVHMPJDGZQE-LURJTMIESA-N 0 0 242.649 3.553 10 30 BHEERN C=C([C@@H](O)c1ccsc1Cl)C(F)(F)F ZINC000306219968 359339399 /nfs/dbraw/zinc/33/93/99/359339399.db2.gz GYRDVHMPJDGZQE-ZCFIWIBFSA-N 0 0 242.649 3.553 10 30 BHEERN O=C1C=C(c2ccsc2Cl)CCCC1 ZINC000306240686 359418544 /nfs/dbraw/zinc/41/85/44/359418544.db2.gz QXNZQTNZQZVHJC-UHFFFAOYSA-N 0 0 226.728 3.928 10 30 BHEERN CC(C)=CC(=O)c1ccsc1Cl ZINC000306244941 359433000 /nfs/dbraw/zinc/43/30/00/359433000.db2.gz UPGXHHFLVNNCTD-UHFFFAOYSA-N 0 0 200.690 3.550 10 30 BHEERN Cc1cc(CC2(C#N)CCCC2)cs1 ZINC000306249640 359450022 /nfs/dbraw/zinc/45/00/22/359450022.db2.gz XZZPLXRVUSXYCG-UHFFFAOYSA-N 0 0 205.326 3.683 10 30 BHEERN CC(C)(C)Sc1nc(Cl)c(C#N)s1 ZINC000306251464 372004598 /nfs/dbraw/zinc/00/45/98/372004598.db2.gz QVDDTBBOVTZPNE-UHFFFAOYSA-N 0 0 232.761 3.559 10 30 BHEERN CC(=O)/C(C)=C/c1cscc1Br ZINC000306263228 359487537 /nfs/dbraw/zinc/48/75/37/359487537.db2.gz YCJPVHIPHZDCJE-ZZXKWVIFSA-N 0 0 245.141 3.503 10 30 BHEERN C=C(C)[C@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000306315538 398164184 /nfs/dbraw/zinc/16/41/84/398164184.db2.gz PZOCMKVIWYWQBR-NSHDSACASA-N 0 0 231.122 3.777 10 30 BHEERN CC(C)=CC(=O)c1c(C)cccc1Cl ZINC000306323878 359608045 /nfs/dbraw/zinc/60/80/45/359608045.db2.gz MXBGEZQYAIVSFK-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C[C@@H](C#N)Sc1cc(Cl)cc(Cl)c1 ZINC000306327472 353004343 /nfs/dbraw/zinc/00/43/43/353004343.db2.gz XQYYVQGEOOQBBK-LURJTMIESA-N 0 0 232.135 3.998 10 30 BHEERN C[C@H](C#N)Sc1cc(Cl)cc(Cl)c1 ZINC000306327474 359610028 /nfs/dbraw/zinc/61/00/28/359610028.db2.gz XQYYVQGEOOQBBK-ZCFIWIBFSA-N 0 0 232.135 3.998 10 30 BHEERN C/C=C/C(=O)c1c(Cl)cccc1Cl ZINC000306340122 359644269 /nfs/dbraw/zinc/64/42/69/359644269.db2.gz KMJPPNWQQSOQGM-DUXPYHPUSA-N 0 0 215.079 3.752 10 30 BHEERN C=CC(=O)c1cc(Cl)cc(F)c1Cl ZINC000306350011 372012558 /nfs/dbraw/zinc/01/25/58/372012558.db2.gz VIOMTJCMORFVFA-UHFFFAOYSA-N 0 0 219.042 3.501 10 30 BHEERN CC1(C)CCC(C=O)(CC(F)(F)F)CC1 ZINC000306351062 359679425 /nfs/dbraw/zinc/67/94/25/359679425.db2.gz WXSSCWWCSJEDSD-UHFFFAOYSA-N 0 0 222.250 3.724 10 30 BHEERN C=C(C)C(=O)c1ccc(Cl)c(CC)c1 ZINC000306358630 353006582 /nfs/dbraw/zinc/00/65/82/353006582.db2.gz BCPKSZXMYYNELW-UHFFFAOYSA-N 0 0 208.688 3.661 10 30 BHEERN C=CCNc1cc(Cl)cc(Br)c1 ZINC000306368117 343766795 /nfs/dbraw/zinc/76/67/95/343766795.db2.gz DLORJIMTRKKSPQ-UHFFFAOYSA-N 0 0 246.535 3.700 10 30 BHEERN O=C(c1ccsc1Cl)C1=CCCC1 ZINC000306388437 359742512 /nfs/dbraw/zinc/74/25/12/359742512.db2.gz NZVDDKWKXQSIKP-UHFFFAOYSA-N 0 0 212.701 3.695 10 30 BHEERN Cc1ccc(Cl)c(C2=CC(=O)CCC2)c1 ZINC000306432922 359917036 /nfs/dbraw/zinc/91/70/36/359917036.db2.gz VFQZLZUMCFWQPS-UHFFFAOYSA-N 0 0 220.699 3.785 10 30 BHEERN O=CC1(Cc2cc(Cl)ccc2Cl)CC1 ZINC000306450521 360020534 /nfs/dbraw/zinc/02/05/34/360020534.db2.gz CMVGJSXRQMBVON-UHFFFAOYSA-N 0 0 229.106 3.515 10 30 BHEERN C[C@@H]1CCCC[C@]1(C=O)C/C=C/Cl ZINC000306459262 360057402 /nfs/dbraw/zinc/05/74/02/360057402.db2.gz DSMVETFFUQCFGV-FVCIQNSBSA-N 0 0 200.709 3.524 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C=O)C/C=C/Cl ZINC000306459263 360056917 /nfs/dbraw/zinc/05/69/17/360056917.db2.gz DSMVETFFUQCFGV-KLIGILKNSA-N 0 0 200.709 3.524 10 30 BHEERN O=CC1(Cc2cccc(Cl)c2Cl)CCC1 ZINC000306459905 360057270 /nfs/dbraw/zinc/05/72/70/360057270.db2.gz DYDGLWDYZYPYLR-UHFFFAOYSA-N 0 0 243.133 3.905 10 30 BHEERN O=CC1(Cc2csc(Cl)c2)CCCC1 ZINC000306461861 360071996 /nfs/dbraw/zinc/07/19/96/360071996.db2.gz GPZOUQZCWCYYRQ-UHFFFAOYSA-N 0 0 228.744 3.703 10 30 BHEERN C[C@@H]1CCC[C@@H](C2(C=O)CCCCC2)C1 ZINC000306466478 360074772 /nfs/dbraw/zinc/07/47/72/360074772.db2.gz KVJBKTLGFAGBGJ-CHWSQXEVSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@@H]1CCC[C@H](C2(C=O)CCCCC2)C1 ZINC000306466481 360075189 /nfs/dbraw/zinc/07/51/89/360075189.db2.gz KVJBKTLGFAGBGJ-OLZOCXBDSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@H]1CCC[C@@H](C2(C=O)CCCCC2)C1 ZINC000306466483 360075490 /nfs/dbraw/zinc/07/54/90/360075490.db2.gz KVJBKTLGFAGBGJ-QWHCGFSZSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@H]1CCC[C@H](C2(C=O)CCCCC2)C1 ZINC000306466485 360075179 /nfs/dbraw/zinc/07/51/79/360075179.db2.gz KVJBKTLGFAGBGJ-STQMWFEESA-N 0 0 208.345 3.962 10 30 BHEERN O=CC1(C[C@@H]2CCC(F)(F)C2)CCCC1 ZINC000306468037 360081021 /nfs/dbraw/zinc/08/10/21/360081021.db2.gz NBIFWCQIUIILMC-JTQLQIEISA-N 0 0 216.271 3.571 10 30 BHEERN O=CC1(C[C@H]2CCC(F)(F)C2)CCCC1 ZINC000306468038 360080970 /nfs/dbraw/zinc/08/09/70/360080970.db2.gz NBIFWCQIUIILMC-SNVBAGLBSA-N 0 0 216.271 3.571 10 30 BHEERN CC[C@@H]1CCC[C@@H](C2(C=O)CCCC2)C1 ZINC000306468515 360083125 /nfs/dbraw/zinc/08/31/25/360083125.db2.gz NUFPBLHXBDCKIV-CHWSQXEVSA-N 0 0 208.345 3.962 10 30 BHEERN CC[C@@H]1CCC[C@H](C2(C=O)CCCC2)C1 ZINC000306468516 360082786 /nfs/dbraw/zinc/08/27/86/360082786.db2.gz NUFPBLHXBDCKIV-OLZOCXBDSA-N 0 0 208.345 3.962 10 30 BHEERN CC[C@H]1CCC[C@@H](C2(C=O)CCCC2)C1 ZINC000306468517 360082695 /nfs/dbraw/zinc/08/26/95/360082695.db2.gz NUFPBLHXBDCKIV-QWHCGFSZSA-N 0 0 208.345 3.962 10 30 BHEERN CC[C@H]1CCC[C@H](C2(C=O)CCCC2)C1 ZINC000306468518 360083202 /nfs/dbraw/zinc/08/32/02/360083202.db2.gz NUFPBLHXBDCKIV-STQMWFEESA-N 0 0 208.345 3.962 10 30 BHEERN C[C@H]1CCCC[C@@]1(C=O)Cc1cccs1 ZINC000306468817 360083219 /nfs/dbraw/zinc/08/32/19/360083219.db2.gz OFIRMVYOHIOABD-AAEUAGOBSA-N 0 0 222.353 3.686 10 30 BHEERN C[C@@H]1CCCC[C@]1(C=O)Cc1cccs1 ZINC000306468818 360083138 /nfs/dbraw/zinc/08/31/38/360083138.db2.gz OFIRMVYOHIOABD-DGCLKSJQSA-N 0 0 222.353 3.686 10 30 BHEERN C[C@H]1CCCC[C@]1(C=O)Cc1cccs1 ZINC000306468819 360083020 /nfs/dbraw/zinc/08/30/20/360083020.db2.gz OFIRMVYOHIOABD-WCQYABFASA-N 0 0 222.353 3.686 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C=O)Cc1cccs1 ZINC000306468820 360082813 /nfs/dbraw/zinc/08/28/13/360082813.db2.gz OFIRMVYOHIOABD-YPMHNXCESA-N 0 0 222.353 3.686 10 30 BHEERN O=CC1(Cc2ccccc2Cl)CCCC1 ZINC000306473229 360093946 /nfs/dbraw/zinc/09/39/46/360093946.db2.gz UOUZYSUQLYPYIH-UHFFFAOYSA-N 0 0 222.715 3.642 10 30 BHEERN C[C@H]1CCC[C@](C=O)(CC2(C)CCC2)C1 ZINC000306474044 360096721 /nfs/dbraw/zinc/09/67/21/360096721.db2.gz VKADOEQUZPKVCG-GXTWGEPZSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@H]1CCC[C@@](C=O)(CC2(C)CCC2)C1 ZINC000306474045 360097202 /nfs/dbraw/zinc/09/72/02/360097202.db2.gz VKADOEQUZPKVCG-JSGCOSHPSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@@H]1CCC[C@@](C=O)(CC2(C)CCC2)C1 ZINC000306474046 360096855 /nfs/dbraw/zinc/09/68/55/360096855.db2.gz VKADOEQUZPKVCG-OCCSQVGLSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@@H]1CCC[C@](C=O)(CC2(C)CCC2)C1 ZINC000306474047 360097292 /nfs/dbraw/zinc/09/72/92/360097292.db2.gz VKADOEQUZPKVCG-TZMCWYRMSA-N 0 0 208.345 3.962 10 30 BHEERN O=CC1(Cc2sccc2Cl)CCCC1 ZINC000306476446 360110574 /nfs/dbraw/zinc/11/05/74/360110574.db2.gz XYRVPDJXJBJVKV-UHFFFAOYSA-N 0 0 228.744 3.703 10 30 BHEERN C/C=C/C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000306486436 398204473 /nfs/dbraw/zinc/20/44/73/398204473.db2.gz OPECLVFLGVZAKO-SNAWJCMRSA-N 0 0 208.688 3.716 10 30 BHEERN C=C(C)C(=O)c1cc(Cl)cc(F)c1Cl ZINC000306502151 360294141 /nfs/dbraw/zinc/29/41/41/360294141.db2.gz CZDXDPQKFHZENL-UHFFFAOYSA-N 0 0 233.069 3.891 10 30 BHEERN C=CCC(=O)c1ccc(Cl)c(C)c1F ZINC000306503897 360300763 /nfs/dbraw/zinc/30/07/63/360300763.db2.gz XMOQZGBCTIFXGN-UHFFFAOYSA-N 0 0 212.651 3.546 10 30 BHEERN C=C(C)CNc1cc(F)cc(Br)c1 ZINC000306506907 360312643 /nfs/dbraw/zinc/31/26/43/360312643.db2.gz WICLKTFGVFCYMK-UHFFFAOYSA-N 0 0 244.107 3.576 10 30 BHEERN C=C(C(=O)C1CCCCCC1)C(F)(F)F ZINC000306519389 360343838 /nfs/dbraw/zinc/34/38/38/360343838.db2.gz IRADDHIZRDTDHZ-UHFFFAOYSA-N 0 0 220.234 3.644 10 30 BHEERN C=CCC(=O)c1ccc2sccc2c1 ZINC000306522195 360358578 /nfs/dbraw/zinc/35/85/78/360358578.db2.gz PCVWOJXCSDTWGN-UHFFFAOYSA-N 0 0 202.278 3.660 10 30 BHEERN CC(C)c1ccc(C2=CCCC2=O)cc1 ZINC000306524605 360369139 /nfs/dbraw/zinc/36/91/39/360369139.db2.gz ZCXKNRXYKZRUDM-UHFFFAOYSA-N 0 0 200.281 3.556 10 30 BHEERN C/C=C/C(=O)c1ccc(Br)cc1C ZINC000306528171 353021539 /nfs/dbraw/zinc/02/15/39/353021539.db2.gz ZWGSSEGZQMWJME-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN N#CC1(CC(F)(F)F)CCCCCC1 ZINC000306531170 353022673 /nfs/dbraw/zinc/02/26/73/353022673.db2.gz FCLQKGGLHILAIY-UHFFFAOYSA-N 0 0 205.223 3.803 10 30 BHEERN CC(C)=CC(=O)c1cscc1C(F)(F)F ZINC000306534522 360396821 /nfs/dbraw/zinc/39/68/21/360396821.db2.gz FATTWPAIJKQYPN-UHFFFAOYSA-N 0 0 234.242 3.916 10 30 BHEERN CC[C@H]1CCC[C@](C#N)(CC(F)F)C1 ZINC000306534936 360397906 /nfs/dbraw/zinc/39/79/06/360397906.db2.gz JFFFCSLPCBBSRK-GXSJLCMTSA-N 0 0 201.260 3.752 10 30 BHEERN CC[C@@H]1CCC[C@@](C#N)(CC(F)F)C1 ZINC000306534937 360398096 /nfs/dbraw/zinc/39/80/96/360398096.db2.gz JFFFCSLPCBBSRK-KOLCDFICSA-N 0 0 201.260 3.752 10 30 BHEERN CC[C@@H]1CCC[C@](C#N)(CC(F)F)C1 ZINC000306534938 360398156 /nfs/dbraw/zinc/39/81/56/360398156.db2.gz JFFFCSLPCBBSRK-MWLCHTKSSA-N 0 0 201.260 3.752 10 30 BHEERN CC[C@H]1CCC[C@@](C#N)(CC(F)F)C1 ZINC000306534939 360397663 /nfs/dbraw/zinc/39/76/63/360397663.db2.gz JFFFCSLPCBBSRK-ONGXEEELSA-N 0 0 201.260 3.752 10 30 BHEERN CC1(C)CCC(C#N)(CC(F)F)CC1 ZINC000306536346 360395773 /nfs/dbraw/zinc/39/57/73/360395773.db2.gz KJRDLZWQZQQFRE-UHFFFAOYSA-N 0 0 201.260 3.752 10 30 BHEERN C=C(Cl)CNc1nc(Cl)ccc1Cl ZINC000306539298 360401441 /nfs/dbraw/zinc/40/14/41/360401441.db2.gz QHQMJAJIYAQSJH-UHFFFAOYSA-N 0 0 237.517 3.553 10 30 BHEERN CC1(C[C@@]2(C#N)CCCS2)CCCC1 ZINC000306561660 360438885 /nfs/dbraw/zinc/43/88/85/360438885.db2.gz NJRIXCOAYUJCEF-GFCCVEGCSA-N 0 0 209.358 3.746 10 30 BHEERN CC1(C[C@]2(C#N)CCCS2)CCCC1 ZINC000306561661 360438888 /nfs/dbraw/zinc/43/88/88/360438888.db2.gz NJRIXCOAYUJCEF-LBPRGKRZSA-N 0 0 209.358 3.746 10 30 BHEERN O=C(c1sccc1F)C1=CCCCCC1 ZINC000306572719 353026312 /nfs/dbraw/zinc/02/63/12/353026312.db2.gz BAIVGGCLQDCSJS-UHFFFAOYSA-N 0 0 224.300 3.960 10 30 BHEERN CC[C@]1(c2ccc(Cl)c(Cl)c2)O[C@@H]1C#N ZINC000306585874 538044196 /nfs/dbraw/zinc/04/41/96/538044196.db2.gz KKQXJAIRAGRKJY-GHMZBOCLSA-N 0 0 242.105 3.521 10 30 BHEERN CC[C@@]1(c2ccc(Cl)c(Cl)c2)O[C@@H]1C#N ZINC000306585875 538044283 /nfs/dbraw/zinc/04/42/83/538044283.db2.gz KKQXJAIRAGRKJY-MNOVXSKESA-N 0 0 242.105 3.521 10 30 BHEERN CC[C@@]1(c2ccc(Cl)c(Cl)c2)O[C@H]1C#N ZINC000306585876 538043950 /nfs/dbraw/zinc/04/39/50/538043950.db2.gz KKQXJAIRAGRKJY-QWRGUYRKSA-N 0 0 242.105 3.521 10 30 BHEERN CC[C@]1(c2ccc(Cl)c(Cl)c2)O[C@H]1C#N ZINC000306585877 538043871 /nfs/dbraw/zinc/04/38/71/538043871.db2.gz KKQXJAIRAGRKJY-WDEREUQCSA-N 0 0 242.105 3.521 10 30 BHEERN CC1CCC(C2=CC(=O)C[C@@H](C)C2)CC1 ZINC000306673022 350816902 /nfs/dbraw/zinc/81/69/02/350816902.db2.gz MRMPDGVMUZJEPE-CXQJBGSLSA-N 0 0 206.329 3.738 10 30 BHEERN CC1CCC(C2=CC(=O)C[C@H](C)C2)CC1 ZINC000306673023 350816891 /nfs/dbraw/zinc/81/68/91/350816891.db2.gz MRMPDGVMUZJEPE-MOENNCHZSA-N 0 0 206.329 3.738 10 30 BHEERN C=CCSc1nc(Cl)nc2ccsc21 ZINC000306677413 350830952 /nfs/dbraw/zinc/83/09/52/350830952.db2.gz YTBOJIQFNSUJPX-UHFFFAOYSA-N 0 0 242.756 3.623 10 30 BHEERN C/C=C/C(=O)c1cc(Cl)cc(F)c1Cl ZINC000306698867 350847811 /nfs/dbraw/zinc/84/78/11/350847811.db2.gz DKSJKIMNQWXIJM-NSCUHMNNSA-N 0 0 233.069 3.891 10 30 BHEERN CC1CCC([C@]2(C#N)CCCS2)CC1 ZINC000306708683 350856698 /nfs/dbraw/zinc/85/66/98/350856698.db2.gz LBRHFVBZNUWCCF-HTAVTVPLSA-N 0 0 209.358 3.602 10 30 BHEERN CC1CCC([C@@]2(C#N)CCCS2)CC1 ZINC000306708684 350856609 /nfs/dbraw/zinc/85/66/09/350856609.db2.gz LBRHFVBZNUWCCF-MCIGGMRASA-N 0 0 209.358 3.602 10 30 BHEERN C=CCNc1ccc(Cl)c(C(F)F)c1 ZINC000306721029 343884235 /nfs/dbraw/zinc/88/42/35/343884235.db2.gz DEGANJBJZNODNI-UHFFFAOYSA-N 0 0 217.646 3.876 10 30 BHEERN Cc1cscc1-c1nc(CCS)cs1 ZINC000306725348 350895148 /nfs/dbraw/zinc/89/51/48/350895148.db2.gz KGLVSINUYKWXSK-UHFFFAOYSA-N 0 0 241.406 3.652 10 30 BHEERN CCC1CCC([C@@]2(C=O)CCCS2)CC1 ZINC000306725971 350897389 /nfs/dbraw/zinc/89/73/89/350897389.db2.gz LKGLNPSEUXMXDX-BPCQOVAHSA-N 0 0 226.385 3.668 10 30 BHEERN CCC1CCC([C@]2(C=O)CCCS2)CC1 ZINC000306725972 350897278 /nfs/dbraw/zinc/89/72/78/350897278.db2.gz LKGLNPSEUXMXDX-WXRRBKDZSA-N 0 0 226.385 3.668 10 30 BHEERN O=CC1(CC(F)(F)F)CCCCCCC1 ZINC000306727083 350897926 /nfs/dbraw/zinc/89/79/26/350897926.db2.gz MMLRRCFITZMKRX-UHFFFAOYSA-N 0 0 222.250 3.868 10 30 BHEERN CC(C)C1CCC(C=O)(C2CCC2)CC1 ZINC000306729741 350899516 /nfs/dbraw/zinc/89/95/16/350899516.db2.gz OXVIKAURSCBNJP-UHFFFAOYSA-N 0 0 208.345 3.818 10 30 BHEERN C=C(c1cc(Cl)ccc1C=O)C(F)(F)F ZINC000306730965 350899560 /nfs/dbraw/zinc/89/95/60/350899560.db2.gz PZIDJKZZOMIFPX-UHFFFAOYSA-N 0 0 234.604 3.728 10 30 BHEERN C[C@@H]1CC[C@@](C=O)(C2CCC(C)CC2)C1 ZINC000306732282 350902693 /nfs/dbraw/zinc/90/26/93/350902693.db2.gz RQNYEKKHUOZJOT-FKZOYECMSA-N 0 0 208.345 3.818 10 30 BHEERN C[C@H]1CC[C@@](C=O)(C2CCC(C)CC2)C1 ZINC000306732284 350902686 /nfs/dbraw/zinc/90/26/86/350902686.db2.gz RQNYEKKHUOZJOT-GNRIBBGQSA-N 0 0 208.345 3.818 10 30 BHEERN C[C@@H]1CC[C@](C=O)(C2CCC(C)CC2)C1 ZINC000306732286 350902662 /nfs/dbraw/zinc/90/26/62/350902662.db2.gz RQNYEKKHUOZJOT-HHTDUIENSA-N 0 0 208.345 3.818 10 30 BHEERN C[C@H]1CC[C@](C=O)(C2CCC(C)CC2)C1 ZINC000306732288 350902698 /nfs/dbraw/zinc/90/26/98/350902698.db2.gz RQNYEKKHUOZJOT-YIOUJQMASA-N 0 0 208.345 3.818 10 30 BHEERN O=C1CCC=C1c1cc(Cl)cc(Cl)c1 ZINC000306738952 350912526 /nfs/dbraw/zinc/91/25/26/350912526.db2.gz AZEXWTIZLHVZIU-UHFFFAOYSA-N 0 0 227.090 3.740 10 30 BHEERN C[C@H]1CC(=O)C=C(C2CCCCCC2)C1 ZINC000306763653 350993661 /nfs/dbraw/zinc/99/36/61/350993661.db2.gz YNHOHHSGSXYGAG-LLVKDONJSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CC(=O)C=C(C2CCCCCC2)C1 ZINC000306763655 350993650 /nfs/dbraw/zinc/99/36/50/350993650.db2.gz YNHOHHSGSXYGAG-NSHDSACASA-N 0 0 206.329 3.882 10 30 BHEERN CC(=O)/C(C)=C/c1csc(Br)c1 ZINC000306781750 351026469 /nfs/dbraw/zinc/02/64/69/351026469.db2.gz BURDBCSFTATRBU-ZZXKWVIFSA-N 0 0 245.141 3.503 10 30 BHEERN C/C=C/C(=O)c1ccc(Br)c(C)c1 ZINC000306786804 351034654 /nfs/dbraw/zinc/03/46/54/351034654.db2.gz PPNZTGFINGSLKQ-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN CC[C@](C)(C#N)CCCOCc1ccccc1 ZINC000306789490 351039391 /nfs/dbraw/zinc/03/93/91/351039391.db2.gz XYEPHFAXWMRJGD-HNNXBMFYSA-N 0 0 231.339 3.923 10 30 BHEERN CC[C@@](C)(C#N)CCCOCc1ccccc1 ZINC000306789492 351039358 /nfs/dbraw/zinc/03/93/58/351039358.db2.gz XYEPHFAXWMRJGD-OAHLLOKOSA-N 0 0 231.339 3.923 10 30 BHEERN C=C(C(=O)[C@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000306795837 351043684 /nfs/dbraw/zinc/04/36/84/351043684.db2.gz GXXAUUZIDQTJRV-APPZFPTMSA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C(=O)[C@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000306795838 351042780 /nfs/dbraw/zinc/04/27/80/351042780.db2.gz GXXAUUZIDQTJRV-CBAPKCEASA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C(=O)[C@@H]1CCC[C@H](C)C1)C(F)(F)F ZINC000306795839 351042748 /nfs/dbraw/zinc/04/27/48/351042748.db2.gz GXXAUUZIDQTJRV-IONNQARKSA-N 0 0 220.234 3.500 10 30 BHEERN C=C(C(=O)[C@@H]1CCC[C@@H](C)C1)C(F)(F)F ZINC000306795840 351042940 /nfs/dbraw/zinc/04/29/40/351042940.db2.gz GXXAUUZIDQTJRV-VXNVDRBHSA-N 0 0 220.234 3.500 10 30 BHEERN O=C1CCCC=C1c1ccc(F)c(Cl)c1 ZINC000306806263 351058680 /nfs/dbraw/zinc/05/86/80/351058680.db2.gz JDMRHXUAVJDVSA-UHFFFAOYSA-N 0 0 224.662 3.616 10 30 BHEERN C=C(C(=O)C1CCC(C)CC1)C(F)(F)F ZINC000306810895 351078665 /nfs/dbraw/zinc/07/86/65/351078665.db2.gz VOWODESAZVNELX-UHFFFAOYSA-N 0 0 220.234 3.500 10 30 BHEERN C/C=C/C(=O)c1ccc(Cl)c(CC)c1 ZINC000306819129 351084850 /nfs/dbraw/zinc/08/48/50/351084850.db2.gz GTWSRTOIIJUWRW-HWKANZROSA-N 0 0 208.688 3.661 10 30 BHEERN C=C(c1ccc(O)c(Cl)c1)C(F)(F)F ZINC000306862151 343887936 /nfs/dbraw/zinc/88/79/36/343887936.db2.gz GZNOEMDVVBYADF-UHFFFAOYSA-N 0 0 222.593 3.621 10 30 BHEERN C=C(C)[C@@H](O)c1cccc2ccsc21 ZINC000306862333 351244673 /nfs/dbraw/zinc/24/46/73/351244673.db2.gz GFIOXYNRFUUBCU-LLVKDONJSA-N 0 0 204.294 3.511 10 30 BHEERN C=C(C)[C@H](O)c1cccc2ccsc21 ZINC000306862334 351244516 /nfs/dbraw/zinc/24/45/16/351244516.db2.gz GFIOXYNRFUUBCU-NSHDSACASA-N 0 0 204.294 3.511 10 30 BHEERN Cc1ccc(C2=CCCCC2=O)cc1Cl ZINC000306869097 353042987 /nfs/dbraw/zinc/04/29/87/353042987.db2.gz RKQUJEUYJUJRRR-UHFFFAOYSA-N 0 0 220.699 3.785 10 30 BHEERN C[C@H]1CC(=O)C=C(CC2CCCCC2)C1 ZINC000306902213 351317678 /nfs/dbraw/zinc/31/76/78/351317678.db2.gz PYBYAVHDOXUFDD-LLVKDONJSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CC(=O)C=C(CC2CCCCC2)C1 ZINC000306902214 351317848 /nfs/dbraw/zinc/31/78/48/351317848.db2.gz PYBYAVHDOXUFDD-NSHDSACASA-N 0 0 206.329 3.882 10 30 BHEERN N#CC1(CC(F)F)CCCCCCC1 ZINC000306942754 385658508 /nfs/dbraw/zinc/65/85/08/385658508.db2.gz IPDZEEFJYMHKNJ-UHFFFAOYSA-N 0 0 201.260 3.896 10 30 BHEERN CSc1cccc(C(=O)C=C(C)C)c1 ZINC000306946816 351373009 /nfs/dbraw/zinc/37/30/09/351373009.db2.gz NQTUKTBCQAQLMT-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN C=C[C@@H](C)Sc1ncccc1Br ZINC000306977296 351396320 /nfs/dbraw/zinc/39/63/20/351396320.db2.gz ARZQOTMXFBCDDA-SSDOTTSWSA-N 0 0 244.157 3.511 10 30 BHEERN C=C[C@H](C)Sc1ncccc1Br ZINC000306977298 351396459 /nfs/dbraw/zinc/39/64/59/351396459.db2.gz ARZQOTMXFBCDDA-ZETCQYMHSA-N 0 0 244.157 3.511 10 30 BHEERN C=CCSc1nc(Cl)nc2sccc21 ZINC000306996278 351411684 /nfs/dbraw/zinc/41/16/84/351411684.db2.gz SFDITYKOAPTYQF-UHFFFAOYSA-N 0 0 242.756 3.623 10 30 BHEERN CC/C=C/C(=O)c1c(Cl)ccc(F)c1F ZINC000307043513 351444692 /nfs/dbraw/zinc/44/46/92/351444692.db2.gz DYHUBFVAIRGUQB-ONEGZZNKSA-N 0 0 230.641 3.767 10 30 BHEERN C[C@@H]1CCC[C@H](CC(=O)C2=CCCC2)C1 ZINC000307057512 351454984 /nfs/dbraw/zinc/45/49/84/351454984.db2.gz YVOXIXUJAXLLPY-NEPJUHHUSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CCC[C@@H](CC(=O)C2=CCCC2)C1 ZINC000307057513 351455095 /nfs/dbraw/zinc/45/50/95/351455095.db2.gz YVOXIXUJAXLLPY-NWDGAFQWSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CCC[C@H](CC(=O)C2=CCCC2)C1 ZINC000307057514 351455177 /nfs/dbraw/zinc/45/51/77/351455177.db2.gz YVOXIXUJAXLLPY-RYUDHWBXSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@@H]1CCC[C@@H](CC(=O)C2=CCCC2)C1 ZINC000307057515 351454860 /nfs/dbraw/zinc/45/48/60/351454860.db2.gz YVOXIXUJAXLLPY-VXGBXAGGSA-N 0 0 206.329 3.882 10 30 BHEERN CC(C)=CC(=O)c1c(Cl)ccc(F)c1F ZINC000307072600 351467211 /nfs/dbraw/zinc/46/72/11/351467211.db2.gz INDYOAPVUDAMOB-UHFFFAOYSA-N 0 0 230.641 3.767 10 30 BHEERN CC(C)=CC(=O)c1csc(Cl)c1 ZINC000307081269 351469546 /nfs/dbraw/zinc/46/95/46/351469546.db2.gz OWSFGEUFYUGVIG-UHFFFAOYSA-N 0 0 200.690 3.550 10 30 BHEERN C/C=C/C(=O)c1csc2ccccc12 ZINC000307126258 351491560 /nfs/dbraw/zinc/49/15/60/351491560.db2.gz COGBGARZVRPBFG-GORDUTHDSA-N 0 0 202.278 3.660 10 30 BHEERN CC1(C)CCC(CC2=CC(=O)CC2)CC1 ZINC000307161493 385988683 /nfs/dbraw/zinc/98/86/83/385988683.db2.gz KQILYHPUTHHNRD-UHFFFAOYSA-N 0 0 206.329 3.882 10 30 BHEERN C=C(Cl)CNc1ccsc1Cl ZINC000307169444 343916204 /nfs/dbraw/zinc/91/62/04/343916204.db2.gz YGDGHYXEGFRIBB-UHFFFAOYSA-N 0 0 208.113 3.566 10 30 BHEERN N#CCCSc1cc(Cl)cc(Cl)c1 ZINC000307177649 351565432 /nfs/dbraw/zinc/56/54/32/351565432.db2.gz INSTVONZUBWOBH-UHFFFAOYSA-N 0 0 232.135 3.999 10 30 BHEERN C[C@@H]1CCC[C@@H](C2=CC(=O)C[C@@H](C)C2)C1 ZINC000307223200 351649670 /nfs/dbraw/zinc/64/96/70/351649670.db2.gz RLTZHUXFCUJCBT-GRYCIOLGSA-N 0 0 206.329 3.738 10 30 BHEERN C[C@H]1CCC[C@@H](C2=CC(=O)C[C@@H](C)C2)C1 ZINC000307223202 351649743 /nfs/dbraw/zinc/64/97/43/351649743.db2.gz RLTZHUXFCUJCBT-SDDRHHMPSA-N 0 0 206.329 3.738 10 30 BHEERN C[C@@H]1CC(=O)C=C([C@H]2CCC[C@H](C)C2)C1 ZINC000307223204 351649701 /nfs/dbraw/zinc/64/97/01/351649701.db2.gz RLTZHUXFCUJCBT-SRVKXCTJSA-N 0 0 206.329 3.738 10 30 BHEERN C[C@@H]1CCC[C@H](C2=CC(=O)C[C@@H](C)C2)C1 ZINC000307223206 351649374 /nfs/dbraw/zinc/64/93/74/351649374.db2.gz RLTZHUXFCUJCBT-WOPDTQHZSA-N 0 0 206.329 3.738 10 30 BHEERN C[C@@H]1CCC[C@@]1(C#N)CCC(F)(F)F ZINC000307250801 351770368 /nfs/dbraw/zinc/77/03/68/351770368.db2.gz PXOQTNDCQRISQX-BDAKNGLRSA-N 0 0 205.223 3.659 10 30 BHEERN C[C@H]1CCC[C@]1(C#N)CCC(F)(F)F ZINC000307250802 351770413 /nfs/dbraw/zinc/77/04/13/351770413.db2.gz PXOQTNDCQRISQX-DTWKUNHWSA-N 0 0 205.223 3.659 10 30 BHEERN C[C@H]1CCC[C@@]1(C#N)CCC(F)(F)F ZINC000307250803 351770607 /nfs/dbraw/zinc/77/06/07/351770607.db2.gz PXOQTNDCQRISQX-IUCAKERBSA-N 0 0 205.223 3.659 10 30 BHEERN C[C@@H]1CCC[C@]1(C#N)CCC(F)(F)F ZINC000307250804 351770438 /nfs/dbraw/zinc/77/04/38/351770438.db2.gz PXOQTNDCQRISQX-RKDXNWHRSA-N 0 0 205.223 3.659 10 30 BHEERN C[C@H]1CCC[C@@]1(C#N)COCc1ccccc1 ZINC000307251899 351772870 /nfs/dbraw/zinc/77/28/70/351772870.db2.gz RAGCFYQOUBDUNS-DZGCQCFKSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@@H]1CCC[C@]1(C#N)COCc1ccccc1 ZINC000307251900 351772840 /nfs/dbraw/zinc/77/28/40/351772840.db2.gz RAGCFYQOUBDUNS-HIFRSBDPSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@@H]1CCC[C@@]1(C#N)COCc1ccccc1 ZINC000307251901 351772921 /nfs/dbraw/zinc/77/29/21/351772921.db2.gz RAGCFYQOUBDUNS-UKRRQHHQSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@H]1CCC[C@]1(C#N)COCc1ccccc1 ZINC000307251902 351773352 /nfs/dbraw/zinc/77/33/52/351773352.db2.gz RAGCFYQOUBDUNS-ZFWWWQNUSA-N 0 0 229.323 3.533 10 30 BHEERN C=CC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000307252065 343920695 /nfs/dbraw/zinc/92/06/95/343920695.db2.gz RJGJPLVXBWFABF-HAQNSBGRSA-N 0 0 239.359 3.646 10 30 BHEERN C=C[C@@H](C)Nc1cc(F)cc(Br)c1 ZINC000307276542 343925400 /nfs/dbraw/zinc/92/54/00/343925400.db2.gz WTWNTRXSFUSLMM-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1cc(F)cc(Br)c1 ZINC000307276543 351831126 /nfs/dbraw/zinc/83/11/26/351831126.db2.gz WTWNTRXSFUSLMM-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C(C)C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000307293187 351902427 /nfs/dbraw/zinc/90/24/27/351902427.db2.gz MDQQJUBIQJWDAU-UHFFFAOYSA-N 0 0 208.688 3.716 10 30 BHEERN C[C@H]1CC[C@@](C#N)(COCc2ccccc2)C1 ZINC000307306837 351931128 /nfs/dbraw/zinc/93/11/28/351931128.db2.gz DFQCMBWFCLIFEG-DZGCQCFKSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@@H]1CC[C@](C#N)(COCc2ccccc2)C1 ZINC000307306838 351931660 /nfs/dbraw/zinc/93/16/60/351931660.db2.gz DFQCMBWFCLIFEG-HIFRSBDPSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@@H]1CC[C@@](C#N)(COCc2ccccc2)C1 ZINC000307306839 351931724 /nfs/dbraw/zinc/93/17/24/351931724.db2.gz DFQCMBWFCLIFEG-UKRRQHHQSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@H]1CC[C@](C#N)(COCc2ccccc2)C1 ZINC000307306840 351932056 /nfs/dbraw/zinc/93/20/56/351932056.db2.gz DFQCMBWFCLIFEG-ZFWWWQNUSA-N 0 0 229.323 3.533 10 30 BHEERN C[C@@H]1CC=C(C(=O)CC2(C)CCC2)CC1 ZINC000307331603 352048430 /nfs/dbraw/zinc/04/84/30/352048430.db2.gz PJPWAIXIQWUGAC-LLVKDONJSA-N 0 0 206.329 3.882 10 30 BHEERN C[C@H]1CC=C(C(=O)CC2(C)CCC2)CC1 ZINC000307331605 352048122 /nfs/dbraw/zinc/04/81/22/352048122.db2.gz PJPWAIXIQWUGAC-NSHDSACASA-N 0 0 206.329 3.882 10 30 BHEERN O=C(c1csc(Cl)c1)C1=CCCC1 ZINC000307374451 352473695 /nfs/dbraw/zinc/47/36/95/352473695.db2.gz UAVJRIUSGVBNLJ-UHFFFAOYSA-N 0 0 212.701 3.695 10 30 BHEERN C=CCCNc1cc(C)c(F)cc1Cl ZINC000307458363 343934979 /nfs/dbraw/zinc/93/49/79/343934979.db2.gz DAWGLDMVVDOGSP-UHFFFAOYSA-N 0 0 213.683 3.776 10 30 BHEERN C=CCSc1nc(NC)c(Cl)cc1Cl ZINC000307488718 398171365 /nfs/dbraw/zinc/17/13/65/398171365.db2.gz DFUJSYIMVTXYLV-UHFFFAOYSA-N 0 0 249.166 3.708 10 30 BHEERN O=C1CCC=C1c1cscc1C(F)(F)F ZINC000307514346 352632307 /nfs/dbraw/zinc/63/23/07/352632307.db2.gz GMKDZRREYRFHDV-UHFFFAOYSA-N 0 0 232.226 3.513 10 30 BHEERN CC(C)=CC(=O)c1cc(F)cc(Cl)c1 ZINC000307539739 352644384 /nfs/dbraw/zinc/64/43/84/352644384.db2.gz ZAWWAEXJAFUEEC-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN C[C@H]1CC(=O)C=C(Cc2sccc2Cl)C1 ZINC000307546344 353082891 /nfs/dbraw/zinc/08/28/91/353082891.db2.gz LXRVKBFZDUPJHR-MRVPVSSYSA-N 0 0 240.755 3.869 10 30 BHEERN C[C@@H]1CC(=O)C=C(Cc2sccc2Cl)C1 ZINC000307546345 352645312 /nfs/dbraw/zinc/64/53/12/352645312.db2.gz LXRVKBFZDUPJHR-QMMMGPOBSA-N 0 0 240.755 3.869 10 30 BHEERN C#CC(C)(C)NCc1cc(Cl)sc1Cl ZINC000307547026 343940892 /nfs/dbraw/zinc/94/08/92/343940892.db2.gz MYMALMUYBPPQKN-UHFFFAOYSA-N 0 0 248.178 3.556 10 30 BHEERN C[C@H]1CCCC[C@]1(C=O)CC1(C)CCC1 ZINC000307554893 352648764 /nfs/dbraw/zinc/64/87/64/352648764.db2.gz XDLGUUJNEQUKIC-GXTWGEPZSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@H]1CCCC[C@@]1(C=O)CC1(C)CCC1 ZINC000307554896 352648897 /nfs/dbraw/zinc/64/88/97/352648897.db2.gz XDLGUUJNEQUKIC-JSGCOSHPSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C=O)CC1(C)CCC1 ZINC000307554898 352648735 /nfs/dbraw/zinc/64/87/35/352648735.db2.gz XDLGUUJNEQUKIC-OCCSQVGLSA-N 0 0 208.345 3.962 10 30 BHEERN C[C@@H]1CCCC[C@]1(C=O)CC1(C)CCC1 ZINC000307554900 352648902 /nfs/dbraw/zinc/64/89/02/352648902.db2.gz XDLGUUJNEQUKIC-TZMCWYRMSA-N 0 0 208.345 3.962 10 30 BHEERN O=CC1(Cc2c(Cl)cccc2Cl)CCC1 ZINC000307631551 352723064 /nfs/dbraw/zinc/72/30/64/352723064.db2.gz YJXHMJYGGWLJBD-UHFFFAOYSA-N 0 0 243.133 3.905 10 30 BHEERN O=C1C=C(c2ccsc2Cl)CCC1 ZINC000307661616 352748172 /nfs/dbraw/zinc/74/81/72/352748172.db2.gz WAMQWBOSLKXLLQ-UHFFFAOYSA-N 0 0 212.701 3.538 10 30 BHEERN C=C(C)C(=O)c1c(C)cccc1Br ZINC000307687169 352920301 /nfs/dbraw/zinc/92/03/01/352920301.db2.gz KSRDIUVFPUMVER-UHFFFAOYSA-N 0 0 239.112 3.516 10 30 BHEERN O=C1CCCC=C1c1ccc(Cl)cc1F ZINC000307692578 352958416 /nfs/dbraw/zinc/95/84/16/352958416.db2.gz SOHFJZXHZCXRFV-UHFFFAOYSA-N 0 0 224.662 3.616 10 30 BHEERN C/C=C/C(=O)c1ccc(Cl)c(C)c1F ZINC000307701459 353000888 /nfs/dbraw/zinc/00/08/88/353000888.db2.gz RVCOUNLCYVZSCE-ONEGZZNKSA-N 0 0 212.651 3.546 10 30 BHEERN C=CCSc1cc(Cl)c(Cl)cc1N ZINC000307727025 343959160 /nfs/dbraw/zinc/95/91/60/343959160.db2.gz CVKMCKDKTCSMKB-UHFFFAOYSA-N 0 0 234.151 3.854 10 30 BHEERN CC(C)=CC(=O)c1cc(C)ccc1Cl ZINC000307745083 353125357 /nfs/dbraw/zinc/12/53/57/353125357.db2.gz QOLCVHRBEVRLCD-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C/C=C\C(=O)c1ccc(Br)cc1C ZINC000308161268 354597246 /nfs/dbraw/zinc/59/72/46/354597246.db2.gz ZWGSSEGZQMWJME-ARJAWSKDSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C\C(=O)c1cc(Cl)ccc1Cl ZINC000308163286 354596932 /nfs/dbraw/zinc/59/69/32/354596932.db2.gz OFMYZCBISWRTCS-IHWYPQMZSA-N 0 0 215.079 3.752 10 30 BHEERN C/C=C(\CC)C(=O)c1ccc(Cl)cc1 ZINC000308418850 355499350 /nfs/dbraw/zinc/49/93/50/355499350.db2.gz LRCDZKYQVJXKHN-YCRREMRBSA-N 0 0 208.688 3.879 10 30 BHEERN C/C=C\C(=O)c1ccc(Cl)c(CC)c1 ZINC000308452300 355646621 /nfs/dbraw/zinc/64/66/21/355646621.db2.gz GTWSRTOIIJUWRW-HYXAFXHYSA-N 0 0 208.688 3.661 10 30 BHEERN C=CCCC(=O)c1c(C)cccc1Cl ZINC000308452302 355647116 /nfs/dbraw/zinc/64/71/16/355647116.db2.gz GUMASDFAPMDEIY-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C=CCCC(=O)c1cc(F)ccc1Cl ZINC000308458057 355640465 /nfs/dbraw/zinc/64/04/65/355640465.db2.gz NOTNGELICGMXRR-UHFFFAOYSA-N 0 0 212.651 3.628 10 30 BHEERN C/C=C\C(=O)c1cc(C)c(Cl)c(C)c1 ZINC000308458886 355640629 /nfs/dbraw/zinc/64/06/29/355640629.db2.gz OPECLVFLGVZAKO-PLNGDYQASA-N 0 0 208.688 3.716 10 30 BHEERN C/C=C\C(=O)c1cc(Cl)cc(F)c1Cl ZINC000308461066 342814858 /nfs/dbraw/zinc/81/48/58/342814858.db2.gz DKSJKIMNQWXIJM-IHWYPQMZSA-N 0 0 233.069 3.891 10 30 BHEERN C=CCCC(=O)c1cc(C)ccc1Cl ZINC000308533752 342854541 /nfs/dbraw/zinc/85/45/41/342854541.db2.gz RHJIWJDFOMQOCL-UHFFFAOYSA-N 0 0 208.688 3.797 10 30 BHEERN C/C=C\C(=O)c1ccc(Cl)c(C)c1F ZINC000308535583 342854632 /nfs/dbraw/zinc/85/46/32/342854632.db2.gz RVCOUNLCYVZSCE-ARJAWSKDSA-N 0 0 212.651 3.546 10 30 BHEERN C/C(CC(C)C)=N\c1ccc(O)cc1F ZINC000308694342 527538577 /nfs/dbraw/zinc/53/85/77/527538577.db2.gz CFQVSGNGHKADBP-NTEUORMPSA-N 0 0 209.264 3.670 10 30 BHEERN CCCCCCC(=NO)c1ccccc1 ZINC000308757294 346909670 /nfs/dbraw/zinc/90/96/70/346909670.db2.gz DHUKZLUBJCSPMT-UHFFFAOYSA-N 0 0 205.301 3.835 10 30 BHEERN C=C(CC(C)=O)c1cc2ccccc2s1 ZINC000308771451 342870344 /nfs/dbraw/zinc/87/03/44/342870344.db2.gz GIPNDQHNDGOLJN-VQHVLOKHSA-N 0 0 216.305 3.894 10 30 BHEERN CC(=O)/C(C)=C\c1ccc(C2CC2)cc1 ZINC000308773353 342870738 /nfs/dbraw/zinc/87/07/38/342870738.db2.gz KMVVDTALIDJLHE-KTKRTIGZSA-N 0 0 200.281 3.556 10 30 BHEERN C=C(C)C(=O)c1cc(OC)c(Cl)cc1Cl ZINC000308781585 342871517 /nfs/dbraw/zinc/87/15/17/342871517.db2.gz CYBUSWIPDDAEGD-UHFFFAOYSA-N 0 0 245.105 3.761 10 30 BHEERN C=CCSCCCC(=O)c1ccccc1 ZINC000308784601 346911747 /nfs/dbraw/zinc/91/17/47/346911747.db2.gz FGHNFAMUMSPZDC-UHFFFAOYSA-N 0 0 220.337 3.569 10 30 BHEERN C=C(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000308784781 342871454 /nfs/dbraw/zinc/87/14/54/342871454.db2.gz YQZARJXVOZLXAJ-UHFFFAOYSA-N 0 0 202.297 3.743 10 30 BHEERN F/C(=C/CC(F)(F)F)C(F)(F)C(F)(F)F ZINC000308799452 342871802 /nfs/dbraw/zinc/87/18/02/342871802.db2.gz JQLNYOXDUCQDCG-HNQUOIGGSA-N 0 0 246.072 3.990 10 30 BHEERN C/C=C\C(=O)c1cccc(C(C)(C)C)c1 ZINC000308801705 342872205 /nfs/dbraw/zinc/87/22/05/342872205.db2.gz LLEAIZOXSROLSJ-ALCCZGGFSA-N 0 0 202.297 3.743 10 30 BHEERN C/C=C/C(=O)c1cccc(C(C)(C)C)c1 ZINC000308801706 346921560 /nfs/dbraw/zinc/92/15/60/346921560.db2.gz LLEAIZOXSROLSJ-FNORWQNLSA-N 0 0 202.297 3.743 10 30 BHEERN C=CC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000308801819 342872196 /nfs/dbraw/zinc/87/21/96/342872196.db2.gz MWBZTYRTSIUBMW-UHFFFAOYSA-N 0 0 234.604 3.728 10 30 BHEERN C=CC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000308811149 342873324 /nfs/dbraw/zinc/87/33/24/342873324.db2.gz RHMHDFQEHUFPFF-UHFFFAOYSA-N 0 0 234.604 3.728 10 30 BHEERN C=CCS[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000308835362 342873797 /nfs/dbraw/zinc/87/37/97/342873797.db2.gz WCOVDRWREIQCPT-SECBINFHSA-N 0 0 240.755 3.830 10 30 BHEERN C=CCS[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000308835363 342873794 /nfs/dbraw/zinc/87/37/94/342873794.db2.gz WCOVDRWREIQCPT-VIFPVBQESA-N 0 0 240.755 3.830 10 30 BHEERN C/C=C\C(=O)c1c(C)c(C)cc(C)c1C ZINC000308841809 342874163 /nfs/dbraw/zinc/87/41/63/342874163.db2.gz ZBRIENNTHXXGQX-SREVYHEPSA-N 0 0 202.297 3.679 10 30 BHEERN C/C=C/C(=O)c1c(C)c(C)cc(C)c1C ZINC000308841810 342874297 /nfs/dbraw/zinc/87/42/97/342874297.db2.gz ZBRIENNTHXXGQX-VOTSOKGWSA-N 0 0 202.297 3.679 10 30 BHEERN CC/C=C\C(=O)c1c(Cl)ccc(F)c1F ZINC000308906720 342876676 /nfs/dbraw/zinc/87/66/76/342876676.db2.gz DYHUBFVAIRGUQB-ARJAWSKDSA-N 0 0 230.641 3.767 10 30 BHEERN C/C=C\C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000309125702 342893777 /nfs/dbraw/zinc/89/37/77/342893777.db2.gz ZMHKXLXMEJPODG-IHWYPQMZSA-N 0 0 232.176 3.603 10 30 BHEERN C/C=C/C(=O)c1cccc(C(F)(F)F)c1C ZINC000309180052 342903285 /nfs/dbraw/zinc/90/32/85/342903285.db2.gz CDFIRERALCNIRM-HWKANZROSA-N 0 0 228.213 3.773 10 30 BHEERN C/C=C\C(=O)c1cccc(C(F)(F)F)c1C ZINC000309180054 342903323 /nfs/dbraw/zinc/90/33/23/342903323.db2.gz CDFIRERALCNIRM-HYXAFXHYSA-N 0 0 228.213 3.773 10 30 BHEERN CCC[C@H](C=O)c1cccc2ccccc21 ZINC000309182377 346977748 /nfs/dbraw/zinc/97/77/48/346977748.db2.gz FLVXFWYPMQGUOC-CYBMUJFWSA-N 0 0 212.292 3.922 10 30 BHEERN CCC[C@@H](C=O)c1cccc2ccccc21 ZINC000309182379 342904029 /nfs/dbraw/zinc/90/40/29/342904029.db2.gz FLVXFWYPMQGUOC-ZDUSSCGKSA-N 0 0 212.292 3.922 10 30 BHEERN C=C(C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000309190117 346979795 /nfs/dbraw/zinc/97/97/95/346979795.db2.gz NCIKOBNAFILPHD-UHFFFAOYSA-N 0 0 232.176 3.603 10 30 BHEERN C=C(C)C(=O)c1cccc(F)c1C(F)(F)F ZINC000309191469 346979449 /nfs/dbraw/zinc/97/94/49/346979449.db2.gz OGISYHCRPOJWEN-UHFFFAOYSA-N 0 0 232.176 3.603 10 30 BHEERN C/C=C/C(=O)c1cccc(F)c1C(F)(F)F ZINC000309204088 342910792 /nfs/dbraw/zinc/91/07/92/342910792.db2.gz AZLRGEAALTWGQD-DUXPYHPUSA-N 0 0 232.176 3.603 10 30 BHEERN C/C=C\C(=O)c1cccc(F)c1C(F)(F)F ZINC000309204089 346991776 /nfs/dbraw/zinc/99/17/76/346991776.db2.gz AZLRGEAALTWGQD-RQOWECAXSA-N 0 0 232.176 3.603 10 30 BHEERN C=CCCCNc1cccc2ccncc21 ZINC000309341128 323344878 /nfs/dbraw/zinc/34/48/78/323344878.db2.gz KJMGYDQJXLBHBQ-UHFFFAOYSA-N 0 0 212.296 3.613 10 30 BHEERN C/C=C\C(=O)c1ccc(F)c2ccccc12 ZINC000309353904 343324816 /nfs/dbraw/zinc/32/48/16/343324816.db2.gz GOKIAKXOXPLGMU-DJWKRKHSSA-N 0 0 214.239 3.738 10 30 BHEERN C/C=C/C(=O)c1ccc(F)c2ccccc12 ZINC000309353909 343324807 /nfs/dbraw/zinc/32/48/07/343324807.db2.gz GOKIAKXOXPLGMU-GORDUTHDSA-N 0 0 214.239 3.738 10 30 BHEERN C=C(C)C(=O)c1ccc(C)c2ccccc12 ZINC000309512232 343661692 /nfs/dbraw/zinc/66/16/92/343661692.db2.gz QSXPMMAOEFIPFR-UHFFFAOYSA-N 0 0 210.276 3.907 10 30 BHEERN C/C=C\C(=O)c1c(C)ccc2ccccc21 ZINC000309520166 343662351 /nfs/dbraw/zinc/66/23/51/343662351.db2.gz XTUVTYIXMPLAAN-UTCJRWHESA-N 0 0 210.276 3.907 10 30 BHEERN C/C=C/C(=O)c1c(C)ccc2ccccc21 ZINC000309520167 343662310 /nfs/dbraw/zinc/66/23/10/343662310.db2.gz XTUVTYIXMPLAAN-ZZXKWVIFSA-N 0 0 210.276 3.907 10 30 BHEERN C#Cc1ccc(CNc2cscc2C)cc1 ZINC000309697036 633228368 /nfs/dbraw/zinc/22/83/68/633228368.db2.gz LHNRSNJLYJNEKC-UHFFFAOYSA-N 0 0 227.332 3.650 10 30 BHEERN C=C(CC)CNc1cccc2ccncc21 ZINC000309982864 323124516 /nfs/dbraw/zinc/12/45/16/323124516.db2.gz XAZYXYMDOWMFQR-UHFFFAOYSA-N 0 0 212.296 3.613 10 30 BHEERN CCC[C@@H]1C[C@H]1Nc1nc(C)c(C#N)cc1Cl ZINC000310261291 384153324 /nfs/dbraw/zinc/15/33/24/384153324.db2.gz LXVONEWWFMENQZ-BXKDBHETSA-N 0 0 249.745 3.516 10 30 BHEERN CCC[C@H]1C[C@@H]1Nc1nc(C)c(C#N)cc1Cl ZINC000310261292 384154173 /nfs/dbraw/zinc/15/41/73/384154173.db2.gz LXVONEWWFMENQZ-CABZTGNLSA-N 0 0 249.745 3.516 10 30 BHEERN CCC[C@H]1C[C@H]1Nc1nc(C)c(C#N)cc1Cl ZINC000310261293 384152947 /nfs/dbraw/zinc/15/29/47/384152947.db2.gz LXVONEWWFMENQZ-JOYOIKCWSA-N 0 0 249.745 3.516 10 30 BHEERN CCC[C@@H]1C[C@@H]1Nc1nc(C)c(C#N)cc1Cl ZINC000310261294 384152977 /nfs/dbraw/zinc/15/29/77/384152977.db2.gz LXVONEWWFMENQZ-SKDRFNHKSA-N 0 0 249.745 3.516 10 30 BHEERN C[C@@H]1CCCC[C@]1(C=O)C/C=C\Cl ZINC000316924370 385344570 /nfs/dbraw/zinc/34/45/70/385344570.db2.gz DSMVETFFUQCFGV-GKJMHVSUSA-N 0 0 200.709 3.524 10 30 BHEERN C[C@@H]1CCCC[C@@]1(C=O)C/C=C\Cl ZINC000316924371 385344363 /nfs/dbraw/zinc/34/43/63/385344363.db2.gz DSMVETFFUQCFGV-XQXCJCPYSA-N 0 0 200.709 3.524 10 30 BHEERN CC[C@H](Nc1ccc(CC#N)cc1)[C@H]1C[C@@H]1C ZINC000321122040 342752040 /nfs/dbraw/zinc/75/20/40/342752040.db2.gz SCYDVVACLRQRLR-CQDKDKBSSA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1ccc(CC#N)cc1)[C@@H]1C[C@H]1C ZINC000321122041 342752046 /nfs/dbraw/zinc/75/20/46/342752046.db2.gz SCYDVVACLRQRLR-DFBGVHRSSA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1ccc(CC#N)cc1)[C@@H]1C[C@@H]1C ZINC000321122042 342752047 /nfs/dbraw/zinc/75/20/47/342752047.db2.gz SCYDVVACLRQRLR-GLQYFDAESA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1ccc(CC#N)cc1)[C@H]1C[C@H]1C ZINC000321122044 342752043 /nfs/dbraw/zinc/75/20/43/342752043.db2.gz SCYDVVACLRQRLR-UGFHNGPFSA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1cccc(CC#N)c1)[C@H]1C[C@@H]1C ZINC000322199704 343976700 /nfs/dbraw/zinc/97/67/00/343976700.db2.gz QSRVPDQSUODPAZ-CQDKDKBSSA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1cccc(CC#N)c1)[C@@H]1C[C@H]1C ZINC000322199708 343976640 /nfs/dbraw/zinc/97/66/40/343976640.db2.gz QSRVPDQSUODPAZ-DFBGVHRSSA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1cccc(CC#N)c1)[C@@H]1C[C@@H]1C ZINC000322199711 343976460 /nfs/dbraw/zinc/97/64/60/343976460.db2.gz QSRVPDQSUODPAZ-GLQYFDAESA-N 0 0 228.339 3.599 10 30 BHEERN CC[C@H](Nc1cccc(CC#N)c1)[C@H]1C[C@H]1C ZINC000322199715 343976368 /nfs/dbraw/zinc/97/63/68/343976368.db2.gz QSRVPDQSUODPAZ-UGFHNGPFSA-N 0 0 228.339 3.599 10 30 BHEERN O=CCCSc1ccc(Cl)cc1Cl ZINC000322519253 541495912 /nfs/dbraw/zinc/49/59/12/541495912.db2.gz VQPVRYHPYZAVAI-UHFFFAOYSA-N 0 0 235.135 3.675 10 30 BHEERN Cc1cc(/N=C/c2ccc(C)cc2)c(C)[nH]1 ZINC000334162559 526097983 /nfs/dbraw/zinc/09/79/83/526097983.db2.gz PWPQHKWYVONPOI-OQLLNIDSSA-N 0 0 212.296 3.691 10 30 BHEERN C[C@H](c1ccc(Cl)cc1)N(C)CC1(C#N)CC1 ZINC000343234053 386515915 /nfs/dbraw/zinc/51/59/15/386515915.db2.gz ALARIXUAUQKWTO-LLVKDONJSA-N 0 0 248.757 3.637 10 30 BHEERN C[C@@H](c1ccc(Cl)cc1)N(C)CC1(C#N)CC1 ZINC000343234064 386516674 /nfs/dbraw/zinc/51/66/74/386516674.db2.gz ALARIXUAUQKWTO-NSHDSACASA-N 0 0 248.757 3.637 10 30 BHEERN Cc1cscc1NCc1ccc(C#N)cc1F ZINC000344845613 384108955 /nfs/dbraw/zinc/10/89/55/384108955.db2.gz KILQWDXLBCANFX-UHFFFAOYSA-N 0 0 246.310 3.679 10 30 BHEERN C=C(C)CCNc1cccc2ccncc21 ZINC000381287184 355980486 /nfs/dbraw/zinc/98/04/86/355980486.db2.gz ZUYBBHGNKJIWGV-UHFFFAOYSA-N 0 0 212.296 3.613 10 30 BHEERN C=C(C)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000381384058 361386752 /nfs/dbraw/zinc/38/67/52/361386752.db2.gz LMCZWTPWCGBZHC-UHFFFAOYSA-N 0 0 232.176 3.603 10 30 BHEERN O=C(C#Cc1ccccc1)CCC1CCCC1 ZINC000382644419 361968557 /nfs/dbraw/zinc/96/85/57/361968557.db2.gz SXTVLRILULNUJS-UHFFFAOYSA-N 0 0 226.319 3.578 10 30 BHEERN C=CCCC(=O)c1cccc(SC)c1 ZINC000382674528 361973739 /nfs/dbraw/zinc/97/37/39/361973739.db2.gz KTAOEKFZALVRQJ-UHFFFAOYSA-N 0 0 206.310 3.557 10 30 BHEERN C=CCCC(=O)c1ccccc1C(C)C ZINC000382675603 361974199 /nfs/dbraw/zinc/97/41/99/361974199.db2.gz PCQAUEPREPFZOK-UHFFFAOYSA-N 0 0 202.297 3.959 10 30 BHEERN C=CC(=O)c1ccc(SC(F)(F)F)cc1 ZINC000382727233 361976749 /nfs/dbraw/zinc/97/67/49/361976749.db2.gz RGXPJGOFHXIBAY-UHFFFAOYSA-N 0 0 232.226 3.667 10 30 BHEERN C=CCCC(=O)c1ccccc1OC(C)C ZINC000382727616 361976568 /nfs/dbraw/zinc/97/65/68/361976568.db2.gz RODJWZQTZABTIX-UHFFFAOYSA-N 0 0 218.296 3.623 10 30 BHEERN C=CCCC(=O)c1cc(C)c(C)cc1C ZINC000382736245 361976399 /nfs/dbraw/zinc/97/63/99/361976399.db2.gz XCNCHRIIAMQOMQ-UHFFFAOYSA-N 0 0 202.297 3.761 10 30 BHEERN N#C[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389453276 350949948 /nfs/dbraw/zinc/94/99/48/350949948.db2.gz HXHAEXNBIMAESI-CABCVRRESA-N 0 0 234.387 3.629 10 30 BHEERN N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCCCC1 ZINC000389453278 350949501 /nfs/dbraw/zinc/94/95/01/350949501.db2.gz HXHAEXNBIMAESI-GJZGRUSLSA-N 0 0 234.387 3.629 10 30 BHEERN N#C[C@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000389453279 350949941 /nfs/dbraw/zinc/94/99/41/350949941.db2.gz HXHAEXNBIMAESI-HUUCEWRRSA-N 0 0 234.387 3.629 10 30 BHEERN N#C[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000389453280 350949815 /nfs/dbraw/zinc/94/98/15/350949815.db2.gz HXHAEXNBIMAESI-LSDHHAIUSA-N 0 0 234.387 3.629 10 30 BHEERN CC[C@H]1CCCC[C@@H]1OCCCCCC=O ZINC000390507207 344147335 /nfs/dbraw/zinc/14/73/35/344147335.db2.gz XGDYFXCYLBUGOR-KBPBESRZSA-N 0 0 226.360 3.731 10 30 BHEERN CC[C@@H]1CCCC[C@@H]1OCCCCCC=O ZINC000390507208 344147401 /nfs/dbraw/zinc/14/74/01/344147401.db2.gz XGDYFXCYLBUGOR-KGLIPLIRSA-N 0 0 226.360 3.731 10 30 BHEERN CC[C@H]1CCCC[C@H]1OCCCCCC=O ZINC000390507209 344147596 /nfs/dbraw/zinc/14/75/96/344147596.db2.gz XGDYFXCYLBUGOR-UONOGXRCSA-N 0 0 226.360 3.731 10 30 BHEERN CC[C@@H]1CCCC[C@H]1OCCCCCC=O ZINC000390507210 344147377 /nfs/dbraw/zinc/14/73/77/344147377.db2.gz XGDYFXCYLBUGOR-ZIAGYGMSSA-N 0 0 226.360 3.731 10 30 BHEERN CCC#C[C@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000390508052 539022783 /nfs/dbraw/zinc/02/27/83/539022783.db2.gz YAGPAYBCJKKYFC-DZGCQCFKSA-N 0 0 215.340 3.529 10 30 BHEERN CCC#C[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000390508053 539022678 /nfs/dbraw/zinc/02/26/78/539022678.db2.gz YAGPAYBCJKKYFC-HIFRSBDPSA-N 0 0 215.340 3.529 10 30 BHEERN CCC#C[C@@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000390508054 539022871 /nfs/dbraw/zinc/02/28/71/539022871.db2.gz YAGPAYBCJKKYFC-UKRRQHHQSA-N 0 0 215.340 3.529 10 30 BHEERN CCC#C[C@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000390508060 539022764 /nfs/dbraw/zinc/02/27/64/539022764.db2.gz YAGPAYBCJKKYFC-ZFWWWQNUSA-N 0 0 215.340 3.529 10 30 BHEERN C=C(C)C(=O)c1cccc(C(F)(F)F)c1C ZINC000390514376 346084303 /nfs/dbraw/zinc/08/43/03/346084303.db2.gz DBWGHNOBBFXDMW-UHFFFAOYSA-N 0 0 228.213 3.773 10 30 BHEERN C=CCSCC(=O)c1ccc(SC)cc1 ZINC000393752874 353175806 /nfs/dbraw/zinc/17/58/06/353175806.db2.gz ZNZCLNCHIAJPKG-UHFFFAOYSA-N 0 0 238.377 3.510 10 30 BHEERN C=CCCC(=O)c1cccc(C(C)C)c1 ZINC000394537899 342805414 /nfs/dbraw/zinc/80/54/14/342805414.db2.gz QDFSOZZDTJVLKD-UHFFFAOYSA-N 0 0 202.297 3.959 10 30 BHEERN C=CC(=O)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000394679115 342813673 /nfs/dbraw/zinc/81/36/73/342813673.db2.gz WVZXQAQNOGYZKE-UHFFFAOYSA-N 0 0 234.604 3.728 10 30 BHEERN Oc1cc(C(F)(F)F)c(C(F)(F)F)cc1F ZINC000396045245 344585600 /nfs/dbraw/zinc/58/56/00/344585600.db2.gz AWOLGBZEMNJHCK-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Oc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1 ZINC000396047688 344586576 /nfs/dbraw/zinc/58/65/76/344586576.db2.gz GICUISOEXQDCCH-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Oc1cc(C(F)(F)F)c(F)cc1C(F)(F)F ZINC000396047787 344586393 /nfs/dbraw/zinc/58/63/93/344586393.db2.gz GNAIEUGQSDHBJW-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Oc1cc(F)c(C(F)(F)F)c(C(F)(F)F)c1 ZINC000396048137 344586563 /nfs/dbraw/zinc/58/65/63/344586563.db2.gz HKDFMMHLVFOIGD-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1F ZINC000396051829 344590085 /nfs/dbraw/zinc/59/00/85/344590085.db2.gz NIGYRHYEOHCYTP-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Oc1ccc(C(F)(F)F)c(C(F)(F)F)c1F ZINC000396053664 344590948 /nfs/dbraw/zinc/59/09/48/344590948.db2.gz PRLYYSQZFZBLKF-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Oc1ccc(F)c(C(F)(F)F)c1C(F)(F)F ZINC000396057208 344589433 /nfs/dbraw/zinc/58/94/33/344589433.db2.gz UJZIBQQDTKBNNP-UHFFFAOYSA-N 0 0 248.097 3.569 10 30 BHEERN Fc1ccc(C(F)(F)F)c(C(F)F)c1F ZINC000396082366 356450249 /nfs/dbraw/zinc/45/02/49/356450249.db2.gz FDWRPGOGFSXJNM-UHFFFAOYSA-N 0 0 232.098 3.921 10 30 BHEERN Fc1c(F)c(C(F)F)ccc1OC(F)(F)F ZINC000396084486 344597882 /nfs/dbraw/zinc/59/78/82/344597882.db2.gz JZZCALGGTYHCLP-UHFFFAOYSA-N 0 0 248.097 3.801 10 30 BHEERN Fc1ccc(C(F)F)c(F)c1OC(F)(F)F ZINC000396085059 344597529 /nfs/dbraw/zinc/59/75/29/344597529.db2.gz LXRYQOAGXHOWBH-UHFFFAOYSA-N 0 0 248.097 3.801 10 30 BHEERN Fc1ccc(C(F)F)c(OC(F)(F)F)c1F ZINC000396085279 344597580 /nfs/dbraw/zinc/59/75/80/344597580.db2.gz MYKITXNYZSAYPZ-UHFFFAOYSA-N 0 0 248.097 3.801 10 30 BHEERN Fc1ccc(F)c(C(F)F)c1OC(F)(F)F ZINC000396085896 344597861 /nfs/dbraw/zinc/59/78/61/344597861.db2.gz NSDXFQLTBIGBJH-UHFFFAOYSA-N 0 0 248.097 3.801 10 30 BHEERN Fc1ccc(OC(F)(F)F)c(C(F)F)c1F ZINC000396087871 344598209 /nfs/dbraw/zinc/59/82/09/344598209.db2.gz RQPUCHHLFAESCU-UHFFFAOYSA-N 0 0 248.097 3.801 10 30 BHEERN Fc1ccc(OC(F)(F)F)c(F)c1C(F)F ZINC000396089810 344598944 /nfs/dbraw/zinc/59/89/44/344598944.db2.gz WLJXROOLPGMLIW-UHFFFAOYSA-N 0 0 248.097 3.801 10 30 BHEERN Fc1ccc(C(F)F)c(F)c1C(F)(F)F ZINC000396093765 344600141 /nfs/dbraw/zinc/60/01/41/344600141.db2.gz CQXIHCNASYUQRB-UHFFFAOYSA-N 0 0 232.098 3.921 10 30 BHEERN Fc1ccc(C(F)(F)F)c(F)c1C(F)F ZINC000396098312 344602009 /nfs/dbraw/zinc/60/20/09/344602009.db2.gz JTDINKHUFQARRD-UHFFFAOYSA-N 0 0 232.098 3.921 10 30 BHEERN Fc1c(F)c(C(F)(F)F)ccc1OC(F)F ZINC000396103236 344602988 /nfs/dbraw/zinc/60/29/88/344602988.db2.gz JZEMFFRJTFCMCR-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(C(F)(F)F)ccc1OC(F)(F)F ZINC000396107925 356453518 /nfs/dbraw/zinc/45/35/18/356453518.db2.gz AEKVAMJUUVJOAL-UHFFFAOYSA-N 0 0 248.097 3.743 10 30 BHEERN Fc1ccc(F)c(C(F)(F)F)c1C(F)F ZINC000396109045 344605075 /nfs/dbraw/zinc/60/50/75/344605075.db2.gz NOKWGOQMXXOSQX-UHFFFAOYSA-N 0 0 232.098 3.921 10 30 BHEERN Fc1cccc(OC(F)(F)F)c1C(F)(F)F ZINC000396109236 344605072 /nfs/dbraw/zinc/60/50/72/344605072.db2.gz CWPYQBIUWADUAF-UHFFFAOYSA-N 0 0 248.097 3.743 10 30 BHEERN Fc1ccc(C(F)(F)F)c(OC(F)(F)F)c1 ZINC000396110823 344605335 /nfs/dbraw/zinc/60/53/35/344605335.db2.gz HTDBDNXHIRDVRH-UHFFFAOYSA-N 0 0 248.097 3.743 10 30 BHEERN Fc1ccc(C(F)F)c(C(F)(F)F)c1F ZINC000396111686 344605392 /nfs/dbraw/zinc/60/53/92/344605392.db2.gz QVHKUCNPOFYOBU-UHFFFAOYSA-N 0 0 232.098 3.921 10 30 BHEERN Fc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000396113888 344606067 /nfs/dbraw/zinc/60/60/67/344606067.db2.gz OGXZHDPKZBDIKT-UHFFFAOYSA-N 0 0 248.097 3.743 10 30 BHEERN Fc1ccc(C(F)(F)F)c(OC(F)F)c1F ZINC000396115196 344606449 /nfs/dbraw/zinc/60/64/49/344606449.db2.gz ANVOZOVUMBWGQM-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(OC(F)(F)F)ccc1C(F)(F)F ZINC000396115275 344606340 /nfs/dbraw/zinc/60/63/40/344606340.db2.gz REAQJWDFNHATMP-UHFFFAOYSA-N 0 0 248.097 3.743 10 30 BHEERN Fc1cc(OC(F)F)cc(F)c1C(F)(F)F ZINC000396115932 344606351 /nfs/dbraw/zinc/60/63/51/344606351.db2.gz BUNBUIILUQFZAU-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1ccc(C(F)(F)F)c(F)c1OC(F)F ZINC000396116606 344606889 /nfs/dbraw/zinc/60/68/89/344606889.db2.gz DLOBLQSOGUIHDY-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(C(F)(F)F)c(F)cc1OC(F)F ZINC000396118192 344607539 /nfs/dbraw/zinc/60/75/39/344607539.db2.gz HHXJPEJEONKQMK-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(F)c(C(F)(F)F)cc1OC(F)F ZINC000396118216 344607593 /nfs/dbraw/zinc/60/75/93/344607593.db2.gz HLNKDFABUIFFJZ-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(OC(F)F)c(C(F)(F)F)cc1F ZINC000396120049 344608448 /nfs/dbraw/zinc/60/84/48/344608448.db2.gz LJFDSINRKJTAEF-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(C(F)(F)F)cc(OC(F)F)c1F ZINC000396121311 344608421 /nfs/dbraw/zinc/60/84/21/344608421.db2.gz PYVIDGFKNVLJBG-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1ccc(OC(F)F)c(C(F)(F)F)c1F ZINC000396121318 344608438 /nfs/dbraw/zinc/60/84/38/344608438.db2.gz QBMXYXRSPUHCQQ-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1ccc(F)c(C(F)(F)F)c1OC(F)F ZINC000396121871 344608902 /nfs/dbraw/zinc/60/89/02/344608902.db2.gz RUSRFWLOMJGKEK-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(F)c(C(F)(F)F)c(OC(F)F)c1 ZINC000396121925 344608985 /nfs/dbraw/zinc/60/89/85/344608985.db2.gz SAZCCEWMJCMADI-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(F)c(OC(F)F)c(C(F)(F)F)c1 ZINC000396123416 344608889 /nfs/dbraw/zinc/60/88/89/344608889.db2.gz WHNKYIVETSYRRY-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(C(F)(F)F)cc(F)c1OC(F)F ZINC000396123908 344609514 /nfs/dbraw/zinc/60/95/14/344609514.db2.gz XQWPTEKDAHSRSP-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(OC(F)F)cc(C(F)(F)F)c1F ZINC000396124189 344609386 /nfs/dbraw/zinc/60/93/86/344609386.db2.gz YTOLVISLEIXCTE-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1ccc(OC(F)F)c(F)c1C(F)(F)F ZINC000396124215 344609562 /nfs/dbraw/zinc/60/95/62/344609562.db2.gz YZLFKWJHXIKLDF-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN Fc1cc(OC(F)F)c(F)c(C(F)(F)F)c1 ZINC000396124251 344609446 /nfs/dbraw/zinc/60/94/46/344609446.db2.gz ZOYFNLWNBYJKKI-UHFFFAOYSA-N 0 0 248.097 3.585 10 30 BHEERN CCO/C=C/C(=O)c1c(Cl)cccc1Cl ZINC000400858602 537869126 /nfs/dbraw/zinc/86/91/26/537869126.db2.gz MCNLMVHCWCKGBX-VOTSOKGWSA-N 0 0 245.105 3.726 10 30 BHEERN N#CCNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404204533 351141231 /nfs/dbraw/zinc/14/12/31/351141231.db2.gz PJJXNYWKGUQADI-UHFFFAOYSA-N 0 0 235.501 3.582 10 30 BHEERN C/C(=C\C(=O)c1ccc(O)cc1)CC(C)C ZINC000504245560 527521696 /nfs/dbraw/zinc/52/16/96/527521696.db2.gz ZMBMORSEJUWTHM-PKNBQFBNSA-N 0 0 218.296 3.567 10 30 BHEERN N#CCc1ccc2ccccc2c1C(F)(F)F ZINC000514263497 344908191 /nfs/dbraw/zinc/90/81/91/344908191.db2.gz XZCSHBFUDYGMGX-UHFFFAOYSA-N 0 0 235.208 3.925 10 30 BHEERN Cc1cccc2nc(Cl)c(C#N)c(Cl)c12 ZINC000521399149 256514149 /nfs/dbraw/zinc/51/41/49/256514149.db2.gz BYSOUGBOUGRYCI-UHFFFAOYSA-N 0 0 237.089 3.722 10 30 BHEERN N#Cc1c(Cl)nc2cccc(F)c2c1Cl ZINC000521399208 384628003 /nfs/dbraw/zinc/62/80/03/384628003.db2.gz RAZMMEMYERFCTB-UHFFFAOYSA-N 0 0 241.052 3.552 10 30 BHEERN CCCOc1cccc(C#C[Si](C)(C)C)c1 ZINC000521399583 386433402 /nfs/dbraw/zinc/43/34/02/386433402.db2.gz CMENWOHGDHLABP-UHFFFAOYSA-N 0 0 232.399 3.704 10 30 BHEERN CCCOc1ccccc1C#C[Si](C)(C)C ZINC000521399585 386433394 /nfs/dbraw/zinc/43/33/94/386433394.db2.gz DDEQCRUXSFSGES-UHFFFAOYSA-N 0 0 232.399 3.704 10 30 BHEERN O=C[C@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000521401623 398305289 /nfs/dbraw/zinc/30/52/89/398305289.db2.gz XXWXMGTZEJWPGT-GXTWGEPZSA-N 0 0 202.297 3.549 10 30 BHEERN O=C[C@H]1CCC[C@H](c2ccccc2)CC1 ZINC000521401628 398305072 /nfs/dbraw/zinc/30/50/72/398305072.db2.gz XXWXMGTZEJWPGT-JSGCOSHPSA-N 0 0 202.297 3.549 10 30 BHEERN O=C[C@@H]1CCC[C@H](c2ccccc2)CC1 ZINC000521401629 398305269 /nfs/dbraw/zinc/30/52/69/398305269.db2.gz XXWXMGTZEJWPGT-OCCSQVGLSA-N 0 0 202.297 3.549 10 30 BHEERN O=C[C@@H]1CCC[C@@H](c2ccccc2)CC1 ZINC000521401630 398305136 /nfs/dbraw/zinc/30/51/36/398305136.db2.gz XXWXMGTZEJWPGT-TZMCWYRMSA-N 0 0 202.297 3.549 10 30 BHEERN N#Cc1ccc(-c2cnc(C(F)F)s2)cc1 ZINC000536952654 323958887 /nfs/dbraw/zinc/95/88/87/323958887.db2.gz CXRIEFKIIOBXOB-UHFFFAOYSA-N 0 0 236.246 3.619 10 30 BHEERN N#Cc1ccc(-c2cnc(C(F)F)s2)s1 ZINC000536955213 384804594 /nfs/dbraw/zinc/80/45/94/384804594.db2.gz PJWVBJDSPGECDR-UHFFFAOYSA-N 0 0 242.275 3.681 10 30 BHEERN N#Cc1cccc(-c2cnc(C(F)F)s2)c1 ZINC000536955874 323966612 /nfs/dbraw/zinc/96/66/12/323966612.db2.gz VNSCRSBOQMDYLY-UHFFFAOYSA-N 0 0 236.246 3.619 10 30 BHEERN C=CCc1ccccc1OCc1ccccc1 ZINC000575154951 346437713 /nfs/dbraw/zinc/43/77/13/346437713.db2.gz RYLLJRFCHYXCDT-UHFFFAOYSA-N 0 0 223.295 3.649 10 30 BHEERN C=CCCCCOc1c(C)cccc1C ZINC000575191297 386977299 /nfs/dbraw/zinc/97/72/99/386977299.db2.gz BBDNKYCIXROLFV-UHFFFAOYSA-N 0 0 203.305 3.953 10 30 BHEERN C=CCCCCOc1ccc(Cl)cc1 ZINC000575191301 386306384 /nfs/dbraw/zinc/30/63/84/386306384.db2.gz FAUNMEIVEZPJTE-UHFFFAOYSA-N 0 0 209.696 3.739 10 30 BHEERN C=CCCCCOc1cccc(F)c1F ZINC000575191307 386978554 /nfs/dbraw/zinc/97/85/54/386978554.db2.gz JHVZCKKTJHMCLB-UHFFFAOYSA-N 0 0 211.231 3.767 10 30 BHEERN C=C(C)C(=O)c1c(OC)ccc2ccccc21 ZINC000575242674 398303464 /nfs/dbraw/zinc/30/34/64/398303464.db2.gz DMOBAFNAPBHERY-UHFFFAOYSA-N 0 0 226.275 3.607 10 30 BHEERN C/C=C\C(=O)c1c(OC)ccc2ccccc21 ZINC000575243198 386424756 /nfs/dbraw/zinc/42/47/56/386424756.db2.gz XFWUCHHMMCFLHR-UTCJRWHESA-N 0 0 226.275 3.607 10 30 BHEERN C/C=C/C(=O)c1c(OC)ccc2ccccc21 ZINC000575243199 388470807 /nfs/dbraw/zinc/47/08/07/388470807.db2.gz XFWUCHHMMCFLHR-ZZXKWVIFSA-N 0 0 226.275 3.607 10 30 BHEERN [O-]/[N+](=C/c1cccs1)c1ccc(Cl)cc1 ZINC000575346494 386715403 /nfs/dbraw/zinc/71/54/03/386715403.db2.gz SJXOWWVCDAMAPS-MDWZMJQESA-N 0 0 238.719 3.554 10 30 BHEERN CCN(CC)c1ccc(C(=O)C=C(C)C)cc1 ZINC000575358081 386734543 /nfs/dbraw/zinc/73/45/43/386734543.db2.gz IJGUAVISBRZGTN-UHFFFAOYSA-N 0 0 231.339 3.682 10 30 BHEERN COc1ccc2cc(C(=O)C=C(C)C)ccc2c1 ZINC000575358245 386733425 /nfs/dbraw/zinc/73/34/25/386733425.db2.gz DOYFMMNQNBLNJP-UHFFFAOYSA-N 0 0 240.302 3.997 10 30 BHEERN COc1ccc2ccccc2c1C(=O)C=C(C)C ZINC000575358364 386738266 /nfs/dbraw/zinc/73/82/66/386738266.db2.gz IBLSXDJRSPGUMX-UHFFFAOYSA-N 0 0 240.302 3.997 10 30 BHEERN C=CCCC(=O)c1ccc(N(CC)CC)cc1 ZINC000575358459 386737397 /nfs/dbraw/zinc/73/73/97/386737397.db2.gz XUDZEWNRWVXQNH-UHFFFAOYSA-N 0 0 231.339 3.682 10 30 BHEERN C=CCCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000575358539 386743887 /nfs/dbraw/zinc/74/38/87/386743887.db2.gz PVUMDZZTDVBAGE-UHFFFAOYSA-N 0 0 240.302 3.997 10 30 BHEERN C=CCCC(=O)c1c(OC)ccc2ccccc21 ZINC000575358611 388871199 /nfs/dbraw/zinc/87/11/99/388871199.db2.gz WIESYLKWSYIVFZ-UHFFFAOYSA-N 0 0 240.302 3.997 10 30 BHEERN C=CCCC(=O)c1ccccc1OC(F)(F)F ZINC000575359244 386757280 /nfs/dbraw/zinc/75/72/80/386757280.db2.gz YBUQULFVFBXHHI-UHFFFAOYSA-N 0 0 244.212 3.734 10 30 BHEERN CC(C)=CC(=O)c1cccc(F)c1C(F)(F)F ZINC000575359929 386759549 /nfs/dbraw/zinc/75/95/49/386759549.db2.gz AVHDBUNZVFUUMR-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN C=CCCC(=O)c1cccc(F)c1C(F)(F)F ZINC000575360083 386761788 /nfs/dbraw/zinc/76/17/88/386761788.db2.gz CWADLNMJGQEJLG-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN CC(C)=CC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000575360937 386763561 /nfs/dbraw/zinc/76/35/61/386763561.db2.gz MIBXTSAZMVHDLC-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN C=CCCC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000575361004 386761743 /nfs/dbraw/zinc/76/17/43/386761743.db2.gz MNHVDOOQWBZMGJ-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN C=CCCC(=O)c1ccc(F)cc1C(F)(F)F ZINC000575361222 386761255 /nfs/dbraw/zinc/76/12/55/386761255.db2.gz TZBODJBUGAYAFH-UHFFFAOYSA-N 0 0 246.203 3.993 10 30 BHEERN N#Cc1cccc(C(=O)CCC2CCCC2)c1 ZINC000575361692 386763404 /nfs/dbraw/zinc/76/34/04/386763404.db2.gz GRSCTOGGWFHJHE-UHFFFAOYSA-N 0 0 227.307 3.711 10 30 BHEERN CCCC(CCC)C(=O)c1ccc(C#N)cc1 ZINC000575361758 386729187 /nfs/dbraw/zinc/72/91/87/386729187.db2.gz FKLWLFSQNFFILV-UHFFFAOYSA-N 0 0 229.323 3.957 10 30 BHEERN CC[C@H](C(=O)c1ccccc1C#N)c1ccccc1 ZINC000575361780 386729645 /nfs/dbraw/zinc/72/96/45/386729645.db2.gz HLOGKUYJPGFNDK-HNNXBMFYSA-N 0 0 249.313 3.935 10 30 BHEERN CC[C@@H](C(=O)c1ccccc1C#N)c1ccccc1 ZINC000575361784 386764420 /nfs/dbraw/zinc/76/44/20/386764420.db2.gz HLOGKUYJPGFNDK-OAHLLOKOSA-N 0 0 249.313 3.935 10 30 BHEERN CCCC[C@@H](CC)C(=O)c1ccc(C#N)cc1 ZINC000575361844 386766567 /nfs/dbraw/zinc/76/65/67/386766567.db2.gz NAHLAOOEDFYMHP-CYBMUJFWSA-N 0 0 229.323 3.957 10 30 BHEERN CCCC[C@H](CC)C(=O)c1ccc(C#N)cc1 ZINC000575361845 386766401 /nfs/dbraw/zinc/76/64/01/386766401.db2.gz NAHLAOOEDFYMHP-ZDUSSCGKSA-N 0 0 229.323 3.957 10 30 BHEERN N#Cc1ccc(C(=O)CCC2CCCC2)cc1 ZINC000575361846 386767112 /nfs/dbraw/zinc/76/71/12/386767112.db2.gz NHNZVQAOPDAUGE-UHFFFAOYSA-N 0 0 227.307 3.711 10 30 BHEERN CCCC(CCC)C(=O)c1ccccc1C#N ZINC000575361852 388880218 /nfs/dbraw/zinc/88/02/18/388880218.db2.gz NSPXCLRJVMYODC-UHFFFAOYSA-N 0 0 229.323 3.957 10 30 BHEERN CCCC[C@@H](CC)C(=O)c1ccccc1C#N ZINC000575361854 386765973 /nfs/dbraw/zinc/76/59/73/386765973.db2.gz NWWFBRQWDIRZOI-GFCCVEGCSA-N 0 0 229.323 3.957 10 30 BHEERN CCCC[C@H](CC)C(=O)c1ccccc1C#N ZINC000575361856 386766139 /nfs/dbraw/zinc/76/61/39/386766139.db2.gz NWWFBRQWDIRZOI-LBPRGKRZSA-N 0 0 229.323 3.957 10 30 BHEERN N#Cc1ccccc1C(=O)CCC1CCCC1 ZINC000575361859 386766384 /nfs/dbraw/zinc/76/63/84/386766384.db2.gz OBAXKFSWSCYSMG-UHFFFAOYSA-N 0 0 227.307 3.711 10 30 BHEERN N#Cc1c(F)cccc1C(=O)CCC1CCCC1 ZINC000575361891 386763868 /nfs/dbraw/zinc/76/38/68/386763868.db2.gz QLAPCYOLMIJSDD-UHFFFAOYSA-N 0 0 245.297 3.850 10 30 BHEERN CC[C@H](C(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000575361967 386769766 /nfs/dbraw/zinc/76/97/66/386769766.db2.gz WNPCIHOBOGEIKW-INIZCTEOSA-N 0 0 249.313 3.935 10 30 BHEERN CC[C@@H](C(=O)c1ccc(C#N)cc1)c1ccccc1 ZINC000575361968 386769835 /nfs/dbraw/zinc/76/98/35/386769835.db2.gz WNPCIHOBOGEIKW-MRXNPFEDSA-N 0 0 249.313 3.935 10 30 BHEERN N#Cc1ccc(C(=O)CCC2CCCC2)cc1F ZINC000575361972 386769881 /nfs/dbraw/zinc/76/98/81/386769881.db2.gz WUIWCTKHXYJYDJ-UHFFFAOYSA-N 0 0 245.297 3.850 10 30 BHEERN N#Cc1cc(C(=O)CCC2CCCC2)ccc1F ZINC000575361984 386769918 /nfs/dbraw/zinc/76/99/18/386769918.db2.gz YDJSPLMEGQKRQH-UHFFFAOYSA-N 0 0 245.297 3.850 10 30 BHEERN CCCC[C@@H](CC)C(=O)c1cccc(C#N)c1 ZINC000575362041 386769938 /nfs/dbraw/zinc/76/99/38/386769938.db2.gz WYSNVBKGAKHHTK-CYBMUJFWSA-N 0 0 229.323 3.957 10 30 BHEERN CCCC[C@H](CC)C(=O)c1cccc(C#N)c1 ZINC000575362042 386769546 /nfs/dbraw/zinc/76/95/46/386769546.db2.gz WYSNVBKGAKHHTK-ZDUSSCGKSA-N 0 0 229.323 3.957 10 30 BHEERN CC[C@H](C(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000575362067 386769477 /nfs/dbraw/zinc/76/94/77/386769477.db2.gz YXVMJVHDFZILSA-INIZCTEOSA-N 0 0 249.313 3.935 10 30 BHEERN CC[C@@H](C(=O)c1cccc(C#N)c1)c1ccccc1 ZINC000575362068 386769873 /nfs/dbraw/zinc/76/98/73/386769873.db2.gz YXVMJVHDFZILSA-MRXNPFEDSA-N 0 0 249.313 3.935 10 30 BHEERN CCCC(CCC)C(=O)c1cccc(C#N)c1 ZINC000575362072 386769705 /nfs/dbraw/zinc/76/97/05/386769705.db2.gz ZCMKCHLXQBRWPW-UHFFFAOYSA-N 0 0 229.323 3.957 10 30 BHEERN CC(C)(C)c1c(Cl)cnc(Cl)c1C#N ZINC000575434044 387058453 /nfs/dbraw/zinc/05/84/53/387058453.db2.gz GLPNHSAPYYXGMK-UHFFFAOYSA-N 0 0 229.110 3.558 10 30 BHEERN CC(C)(C)c1cc(C2CC2)nc(Cl)c1C#N ZINC000575434175 387058034 /nfs/dbraw/zinc/05/80/34/387058034.db2.gz OZRRDTSHNRNGDD-UHFFFAOYSA-N 0 0 234.730 3.782 10 30 BHEERN C=C(C)C[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575438870 387119903 /nfs/dbraw/zinc/11/99/03/387119903.db2.gz DPIOECRAQAONJZ-SNVBAGLBSA-N 0 0 246.137 3.665 10 30 BHEERN C=CCC[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575439406 387123623 /nfs/dbraw/zinc/12/36/23/387123623.db2.gz JFWFUWVCVIVXTH-SNVBAGLBSA-N 0 0 246.137 3.665 10 30 BHEERN C=C(C)C[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575439528 387123334 /nfs/dbraw/zinc/12/33/34/387123334.db2.gz DPIOECRAQAONJZ-JTQLQIEISA-N 0 0 246.137 3.665 10 30 BHEERN C=CCC[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575440123 388631194 /nfs/dbraw/zinc/63/11/94/388631194.db2.gz JFWFUWVCVIVXTH-JTQLQIEISA-N 0 0 246.137 3.665 10 30 BHEERN CC/C(=N\O)c1ccc(Cl)cc1Cl ZINC000575448351 386706038 /nfs/dbraw/zinc/70/60/38/386706038.db2.gz BDWQQILTODMKJA-FMIVXFBMSA-N 0 0 218.083 3.582 10 30 BHEERN C[C@@H](/C=N/O)Cc1ccc(C(C)(C)C)cc1 ZINC000575448645 386719235 /nfs/dbraw/zinc/71/92/35/386719235.db2.gz GKFXMHKHQYREED-HGLKBHAMSA-N 0 0 219.328 3.623 10 30 BHEERN C[C@H](/C=N/O)Cc1ccc(C(C)(C)C)cc1 ZINC000575448646 386721620 /nfs/dbraw/zinc/72/16/20/386721620.db2.gz GKFXMHKHQYREED-KBVGCWLLSA-N 0 0 219.328 3.623 10 30 BHEERN O/N=C(\c1ccccc1)c1cccc(Cl)c1 ZINC000575448691 386723627 /nfs/dbraw/zinc/72/36/27/386723627.db2.gz VYHOSLPIWRGYJV-FYWRMAATSA-N 0 0 231.682 3.567 10 30 BHEERN C/C=C/C(=O)c1cc2cscc2s1 ZINC000575449342 386791195 /nfs/dbraw/zinc/79/11/95/386791195.db2.gz MJYZMTPKZDPUPG-NSCUHMNNSA-N 0 0 208.307 3.722 10 30 BHEERN Cc1csc(C(=O)/C=C/Cl)c1Cl ZINC000575455935 388785353 /nfs/dbraw/zinc/78/53/53/388785353.db2.gz QJLAJZNVPYVCTI-NSCUHMNNSA-N 0 0 221.108 3.645 10 30 BHEERN Cc1cc(Cl)ccc1C(=O)/C=C/Cl ZINC000575457613 387031513 /nfs/dbraw/zinc/03/15/13/387031513.db2.gz TXSWDFYWQNIEJV-SNAWJCMRSA-N 0 0 215.079 3.584 10 30 BHEERN C=C(C)Cc1c(C)ccc(Br)c1O ZINC000575457945 387021615 /nfs/dbraw/zinc/02/16/15/387021615.db2.gz PJBIHQHZHXOFPX-UHFFFAOYSA-N 0 0 241.128 3.582 10 30 BHEERN C/C=C/C(=O)c1cc2sccc2s1 ZINC000575458362 388797576 /nfs/dbraw/zinc/79/75/76/388797576.db2.gz HHFXHTVBRPGDCK-NSCUHMNNSA-N 0 0 208.307 3.722 10 30 BHEERN Cc1ccc(C(=O)/C=C/Cl)cc1Cl ZINC000575460747 388809096 /nfs/dbraw/zinc/80/90/96/388809096.db2.gz RMROLJIWBPBJAN-SNAWJCMRSA-N 0 0 215.079 3.584 10 30 BHEERN Cc1cc(C(=O)/C=C/Cl)ccc1Cl ZINC000575464770 387059729 /nfs/dbraw/zinc/05/97/29/387059729.db2.gz GJOPFXGAYZOHIT-SNAWJCMRSA-N 0 0 215.079 3.584 10 30 BHEERN C=C(Cl)Cc1c(Cl)ccc(C)c1O ZINC000575467166 387076358 /nfs/dbraw/zinc/07/63/58/387076358.db2.gz PULMFFSUQPRCRM-UHFFFAOYSA-N 0 0 217.095 3.649 10 30 BHEERN C=C(Cl)CNc1cccc(F)c1Cl ZINC000575478232 387160903 /nfs/dbraw/zinc/16/09/03/387160903.db2.gz OEDADCSZWHMXIF-UHFFFAOYSA-N 0 0 220.074 3.644 10 30 BHEERN C=C[C@@H](C)Nc1c(C)cccc1Br ZINC000575478619 387163179 /nfs/dbraw/zinc/16/31/79/387163179.db2.gz BYMMTBQKYLFYIO-SECBINFHSA-N 0 0 240.144 3.744 10 30 BHEERN C=C[C@H](C)Nc1c(C)cccc1Br ZINC000575478626 387162586 /nfs/dbraw/zinc/16/25/86/387162586.db2.gz BYMMTBQKYLFYIO-VIFPVBQESA-N 0 0 240.144 3.744 10 30 BHEERN C=CCNc1cc(Cl)c(C)c(Cl)c1 ZINC000575481057 387168843 /nfs/dbraw/zinc/16/88/43/387168843.db2.gz PZPBEWDIHCIZOM-UHFFFAOYSA-N 0 0 216.111 3.900 10 30 BHEERN C=C(C)CNc1c(C)cccc1Br ZINC000575483017 387186609 /nfs/dbraw/zinc/18/66/09/387186609.db2.gz ZKZGCUQDYHUHCI-UHFFFAOYSA-N 0 0 240.144 3.746 10 30 BHEERN C[C@@H]1CCCCC[C@]1(C#N)NCc1ccccc1 ZINC000575489500 388890155 /nfs/dbraw/zinc/89/01/55/388890155.db2.gz JMDIEPZFWCLSNC-GDBMZVCRSA-N 0 0 242.366 3.639 10 30 BHEERN C[C@H]1CCCCC[C@]1(C#N)NCc1ccccc1 ZINC000575489509 388890666 /nfs/dbraw/zinc/89/06/66/388890666.db2.gz JMDIEPZFWCLSNC-GOEBONIOSA-N 0 0 242.366 3.639 10 30 BHEERN C[C@H]1CCCCC[C@@]1(C#N)NCc1ccccc1 ZINC000575489510 397963501 /nfs/dbraw/zinc/96/35/01/397963501.db2.gz JMDIEPZFWCLSNC-HOCLYGCPSA-N 0 0 242.366 3.639 10 30 BHEERN C[C@@H]1CCCCC[C@@]1(C#N)NCc1ccccc1 ZINC000575489512 397963568 /nfs/dbraw/zinc/96/35/68/397963568.db2.gz JMDIEPZFWCLSNC-ZBFHGGJFSA-N 0 0 242.366 3.639 10 30 BHEERN O=C(/C=C/Cl)c1c(Cl)cccc1Cl ZINC000575499726 387342827 /nfs/dbraw/zinc/34/28/27/387342827.db2.gz AGSDGKJMLXUKHZ-SNAWJCMRSA-N 0 0 235.497 3.929 10 30 BHEERN CC(C)=CC(=O)c1ccsc1Br ZINC000575500473 387351483 /nfs/dbraw/zinc/35/14/83/387351483.db2.gz MLGHJGPQQCWNPZ-UHFFFAOYSA-N 0 0 245.141 3.660 10 30 BHEERN O=C(/C=C/Cl)c1cc(Cl)sc1Cl ZINC000575501041 387350968 /nfs/dbraw/zinc/35/09/68/387350968.db2.gz JBRMEGHPVRGCJZ-OWOJBTEDSA-N 0 0 241.526 3.990 10 30 BHEERN O=C(/C=C/Cl)c1ccc(Cl)c(Cl)c1 ZINC000575501503 388990145 /nfs/dbraw/zinc/99/01/45/388990145.db2.gz MPDHLQKJHIUXHC-ONEGZZNKSA-N 0 0 235.497 3.929 10 30 BHEERN O=C(/C=C/Cl)c1cc(Cl)ccc1Cl ZINC000575501691 387346347 /nfs/dbraw/zinc/34/63/47/387346347.db2.gz OHEQRVPOZFWDJA-ONEGZZNKSA-N 0 0 235.497 3.929 10 30 BHEERN O=C(/C=C/Cl)c1cccc(Cl)c1Cl ZINC000575502721 387356044 /nfs/dbraw/zinc/35/60/44/387356044.db2.gz YOBMRBLLZFUSRP-SNAWJCMRSA-N 0 0 235.497 3.929 10 30 BHEERN CC(=O)/C=C/c1cc2cscc2s1 ZINC000575505260 387372004 /nfs/dbraw/zinc/37/20/04/387372004.db2.gz PCFXGCYHHNFAKQ-NSCUHMNNSA-N 0 0 208.307 3.565 10 30 BHEERN O=C(/C=C/Cl)c1cc2sccc2s1 ZINC000575517536 387420129 /nfs/dbraw/zinc/42/01/29/387420129.db2.gz OXFJBDZANUXBDA-HNQUOIGGSA-N 0 0 228.725 3.898 10 30 BHEERN Cc1c(Cl)cccc1C(=O)/C=C/Cl ZINC000575517830 398179766 /nfs/dbraw/zinc/17/97/66/398179766.db2.gz VZFSTFLUTIZIJS-AATRIKPKSA-N 0 0 215.079 3.584 10 30 BHEERN Cc1ccc(C(=O)/C=C/Cl)c(Cl)c1 ZINC000575517994 387433113 /nfs/dbraw/zinc/43/31/13/387433113.db2.gz ZHPMPZDHTZFDAQ-SNAWJCMRSA-N 0 0 215.079 3.584 10 30 BHEERN Cc1ccc(Cl)cc1C(=O)/C=C/Cl ZINC000575518178 398181467 /nfs/dbraw/zinc/18/14/67/398181467.db2.gz OJUSBNMMQRMYNL-SNAWJCMRSA-N 0 0 215.079 3.584 10 30 BHEERN Cc1cccc(C(=O)/C=C/Cl)c1Cl ZINC000575518218 398181803 /nfs/dbraw/zinc/18/18/03/398181803.db2.gz QFWQISZVBGBLBA-AATRIKPKSA-N 0 0 215.079 3.584 10 30 BHEERN Cc1cc(Cl)cc(C(=O)/C=C/Cl)c1 ZINC000575520792 387450238 /nfs/dbraw/zinc/45/02/38/387450238.db2.gz HEDKFKDVSWOKCD-NSCUHMNNSA-N 0 0 215.079 3.584 10 30 BHEERN O=C(/C=C/Cl)C1CCCCCCC1 ZINC000575521256 387451646 /nfs/dbraw/zinc/45/16/46/387451646.db2.gz QKXYLDDWMUJLEL-CMDGGOBGSA-N 0 0 200.709 3.669 10 30 BHEERN CC1(C)CCCC[C@@H]1C(=O)/C=C/Cl ZINC000575521332 387452556 /nfs/dbraw/zinc/45/25/56/387452556.db2.gz SCZJEUGYAJMFAW-BNICOGTQSA-N 0 0 200.709 3.524 10 30 BHEERN CC1(C)CCCC[C@H]1C(=O)/C=C/Cl ZINC000575521337 388358015 /nfs/dbraw/zinc/35/80/15/388358015.db2.gz SCZJEUGYAJMFAW-ORZBULNSSA-N 0 0 200.709 3.524 10 30 BHEERN C=C(C)CNc1cccc(Br)c1F ZINC000575523295 388358673 /nfs/dbraw/zinc/35/86/73/388358673.db2.gz JAMZPLHGFKQMCK-UHFFFAOYSA-N 0 0 244.107 3.576 10 30 BHEERN C=C[C@@H](C)Nc1cccc(Br)c1F ZINC000575525076 388359907 /nfs/dbraw/zinc/35/99/07/388359907.db2.gz XXCVRPMOPVZZBU-SSDOTTSWSA-N 0 0 244.107 3.575 10 30 BHEERN C=C[C@H](C)Nc1cccc(Br)c1F ZINC000575525081 387525641 /nfs/dbraw/zinc/52/56/41/387525641.db2.gz XXCVRPMOPVZZBU-ZETCQYMHSA-N 0 0 244.107 3.575 10 30 BHEERN C=C(C)C(=O)c1cc2cscc2s1 ZINC000575534007 385892884 /nfs/dbraw/zinc/89/28/84/385892884.db2.gz MCLXBBFYXZTAPY-UHFFFAOYSA-N 0 0 208.307 3.722 10 30 BHEERN O=C(/C=C/Cl)c1cc2cscc2s1 ZINC000575535417 387575631 /nfs/dbraw/zinc/57/56/31/387575631.db2.gz YNDZOGQLCFTEQC-OWOJBTEDSA-N 0 0 228.725 3.898 10 30 BHEERN C/C=C/C(=O)c1ccc(C)cc1Br ZINC000575550024 387641588 /nfs/dbraw/zinc/64/15/88/387641588.db2.gz ODRANDDACHFHNZ-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C/C(=O)c1cc(Br)ccc1C ZINC000575550031 387641699 /nfs/dbraw/zinc/64/16/99/387641699.db2.gz OOHGTBYUFVXRDC-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C/C(=O)c1ccc(C)c(Br)c1 ZINC000575551221 387650638 /nfs/dbraw/zinc/65/06/38/387650638.db2.gz WGGAWGGOIOZNRJ-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN C=C(C)Cc1c(O)cc(Cl)cc1Cl ZINC000575558469 387696974 /nfs/dbraw/zinc/69/69/74/387696974.db2.gz RNHJUODQZZFZCV-UHFFFAOYSA-N 0 0 217.095 3.818 10 30 BHEERN C=C(C)Cc1cc(C)cc(Br)c1O ZINC000575562871 387703708 /nfs/dbraw/zinc/70/37/08/387703708.db2.gz MXNOPOJXBIVECD-UHFFFAOYSA-N 0 0 241.128 3.582 10 30 BHEERN C=C(C)Cc1cc(Br)cc(C)c1O ZINC000575562967 387704198 /nfs/dbraw/zinc/70/41/98/387704198.db2.gz IDGGWWKBTKJVIA-UHFFFAOYSA-N 0 0 241.128 3.582 10 30 BHEERN C=C(Cl)Cc1c(C)ccc(Cl)c1O ZINC000575564481 387703845 /nfs/dbraw/zinc/70/38/45/387703845.db2.gz PCFDEFDMPKEQGS-UHFFFAOYSA-N 0 0 217.095 3.649 10 30 BHEERN C=C(Cl)Cc1cc(Cl)cc(C)c1O ZINC000575564498 387704751 /nfs/dbraw/zinc/70/47/51/387704751.db2.gz PJMULXLHVLMAQM-UHFFFAOYSA-N 0 0 217.095 3.649 10 30 BHEERN C=C(Cl)Cc1cc(C)cc(Cl)c1O ZINC000575564724 386062158 /nfs/dbraw/zinc/06/21/58/386062158.db2.gz YDXGTLZKKZXFJB-UHFFFAOYSA-N 0 0 217.095 3.649 10 30 BHEERN C=C(Cl)Cc1c(O)cc(Cl)cc1Cl ZINC000575566133 387733762 /nfs/dbraw/zinc/73/37/62/387733762.db2.gz FMMSKWJTMGSWJD-UHFFFAOYSA-N 0 0 237.513 3.994 10 30 BHEERN C=C(Cl)Cc1ccc(Cl)c(C)c1O ZINC000575573795 387750756 /nfs/dbraw/zinc/75/07/56/387750756.db2.gz BBDPYCBHFBUHPZ-UHFFFAOYSA-N 0 0 217.095 3.649 10 30 BHEERN [N-]=[N+]=Nc1nc2cc(Br)ccc2o1 ZINC000575577108 387027031 /nfs/dbraw/zinc/02/70/31/387027031.db2.gz WFQMUIIWUCWLLW-UHFFFAOYSA-N 0 0 239.032 3.532 10 30 BHEERN C/C=C/C(=O)c1cc(C)c(Br)s1 ZINC000575578514 386207232 /nfs/dbraw/zinc/20/72/32/386207232.db2.gz BGPLMZCASMOIBX-ONEGZZNKSA-N 0 0 245.141 3.578 10 30 BHEERN C/C=C/C(=O)c1cccc(Br)c1C ZINC000575578535 386209039 /nfs/dbraw/zinc/20/90/39/386209039.db2.gz CKRLJQHPTDNQAK-HWKANZROSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C/C(=O)c1cc(Cl)sc1Cl ZINC000575578562 386209224 /nfs/dbraw/zinc/20/92/24/386209224.db2.gz DHBFMDQUXVSXCX-NSCUHMNNSA-N 0 0 221.108 3.814 10 30 BHEERN C/C=C/C(=O)c1cc(C)cc(Br)c1 ZINC000575579245 387050012 /nfs/dbraw/zinc/05/00/12/387050012.db2.gz INZCAQSEVNAPMY-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C/C(=O)c1c(C)cccc1Br ZINC000575579822 387048351 /nfs/dbraw/zinc/04/83/51/387048351.db2.gz NUACXJPXNBZELS-HWKANZROSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C/C(=O)c1cc(C)ccc1Br ZINC000575580026 386222891 /nfs/dbraw/zinc/22/28/91/386222891.db2.gz RHGUFAKQSLWKIG-ONEGZZNKSA-N 0 0 239.112 3.516 10 30 BHEERN C/C=C/C(=O)c1cccc(C)c1Br ZINC000575580071 387048896 /nfs/dbraw/zinc/04/88/96/387048896.db2.gz TTYZJPUERQRTNX-HWKANZROSA-N 0 0 239.112 3.516 10 30 BHEERN CC(=O)/C(C)=C/c1ccsc1Br ZINC000575590544 387202125 /nfs/dbraw/zinc/20/21/25/387202125.db2.gz HVJPVZXDHZHXBP-AATRIKPKSA-N 0 0 245.141 3.503 10 30 BHEERN CCc1cc(CC)c(C(F)F)c(CC#N)c1 ZINC000575651698 387899272 /nfs/dbraw/zinc/89/92/72/387899272.db2.gz ACDPWFBKXUMWDX-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC#N)c(CC)c(C(F)F)c1 ZINC000575651879 387899809 /nfs/dbraw/zinc/89/98/09/387899809.db2.gz FLHLTRDWXOOQIS-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC)c(C(F)(F)F)cc1C#N ZINC000575652004 387901363 /nfs/dbraw/zinc/90/13/63/387901363.db2.gz IGSXDVCQNOIFCW-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(OC(F)(F)F)cc(C#N)c1CC ZINC000575652053 387900838 /nfs/dbraw/zinc/90/08/38/387900838.db2.gz JRGQSWZQAOHTEL-UHFFFAOYSA-N 0 0 243.228 3.582 10 30 BHEERN CCc1cc(C#N)cc(C(F)F)c1CC ZINC000575652064 387901444 /nfs/dbraw/zinc/90/14/44/387901444.db2.gz KBLUTZLAERXFKH-UHFFFAOYSA-N 0 0 209.239 3.621 10 30 BHEERN CCc1cc(C(F)F)c(CC)cc1CC#N ZINC000575652068 387901396 /nfs/dbraw/zinc/90/13/96/387901396.db2.gz KGGAZULUXYWDGX-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(C#N)cc(CC)c1OC(F)(F)F ZINC000575652085 387900514 /nfs/dbraw/zinc/90/05/14/387900514.db2.gz KPEVGMIQPOTAMT-UHFFFAOYSA-N 0 0 243.228 3.582 10 30 BHEERN CCc1cc(C(F)(F)F)cc(CC)c1C#N ZINC000575652139 387900916 /nfs/dbraw/zinc/90/09/16/387900916.db2.gz LVWWSSAQZCKBCD-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(CC#N)c(C(F)F)cc1CC ZINC000575652172 387900909 /nfs/dbraw/zinc/90/09/09/387900909.db2.gz MDYFDDZPHPEHBN-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1ccc(C(F)(F)F)c(C#N)c1CC ZINC000575652185 387900404 /nfs/dbraw/zinc/90/04/04/387900404.db2.gz MLBMSHYKZYVASB-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(C(F)(F)F)cc(C#N)c1CC ZINC000575652206 387901474 /nfs/dbraw/zinc/90/14/74/387901474.db2.gz NBVUMGDHKPTNDQ-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(C(F)F)cc(CC)c1CC#N ZINC000575652267 387901130 /nfs/dbraw/zinc/90/11/30/387901130.db2.gz OBXHAWNMJDODMC-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC)c(C(F)F)cc1CC#N ZINC000575652299 387901541 /nfs/dbraw/zinc/90/15/41/387901541.db2.gz OSMPOWHIUCMFGW-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(C#N)c(CC)c(C(F)(F)F)c1 ZINC000575652328 387900601 /nfs/dbraw/zinc/90/06/01/387900601.db2.gz PSHYJCFVFLZEPA-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(C(F)(F)F)c(CC)cc1C#N ZINC000575652349 387900881 /nfs/dbraw/zinc/90/08/81/387900881.db2.gz PYENSXJQJZONNY-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(C(F)F)c(CC)cc1C#N ZINC000575652409 387901260 /nfs/dbraw/zinc/90/12/60/387901260.db2.gz QZTQDLOUIAVHAH-UHFFFAOYSA-N 0 0 209.239 3.621 10 30 BHEERN CCc1cc(C(F)F)cc(C#N)c1CC ZINC000575652455 387901007 /nfs/dbraw/zinc/90/10/07/387901007.db2.gz RZOCCBOCOIOJJU-UHFFFAOYSA-N 0 0 209.239 3.621 10 30 BHEERN CCc1cc(C#N)c(CC)c(C(F)F)c1 ZINC000575652535 387902468 /nfs/dbraw/zinc/90/24/68/387902468.db2.gz TXDMEMQHYPZEKH-UHFFFAOYSA-N 0 0 209.239 3.621 10 30 BHEERN CCc1cc(C#N)c(C(F)(F)F)cc1CC ZINC000575652563 387902180 /nfs/dbraw/zinc/90/21/80/387902180.db2.gz UHQMHCSONQGTEK-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(CC#N)cc(CC)c1C(F)F ZINC000575652579 387902042 /nfs/dbraw/zinc/90/20/42/387902042.db2.gz USWBNQWVBCQBKT-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC)c(CC#N)c(C(F)F)c1 ZINC000575652589 384114545 /nfs/dbraw/zinc/11/45/45/384114545.db2.gz VCBCUJNKSWKXBG-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC)c(C(F)F)cc1C#N ZINC000575652615 387902635 /nfs/dbraw/zinc/90/26/35/387902635.db2.gz VFRMWFSCLDGYQR-UHFFFAOYSA-N 0 0 209.239 3.621 10 30 BHEERN CCc1cc(C#N)cc(CC)c1C(F)(F)F ZINC000575652618 387902002 /nfs/dbraw/zinc/90/20/02/387902002.db2.gz VHTWZRPFRATMQM-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1ccc(CC)c(C(F)(F)F)c1C#N ZINC000575652629 387902632 /nfs/dbraw/zinc/90/26/32/387902632.db2.gz VKUMCMINYHQNLG-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1cc(C#N)c(CC)c(OC(F)(F)F)c1 ZINC000575652702 387902385 /nfs/dbraw/zinc/90/23/85/387902385.db2.gz VSQDCEZEDDLPHY-UHFFFAOYSA-N 0 0 243.228 3.582 10 30 BHEERN CCc1cc(C(F)F)cc(CC#N)c1CC ZINC000575652708 387902305 /nfs/dbraw/zinc/90/23/05/387902305.db2.gz WBKMTSDLSWHFST-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC#N)cc(C(F)F)c1CC ZINC000575652712 387902467 /nfs/dbraw/zinc/90/24/67/387902467.db2.gz WHFDSQRUGANPNN-UHFFFAOYSA-N 0 0 223.266 3.815 10 30 BHEERN CCc1cc(CC)c(C#N)c(C(F)F)c1 ZINC000575652716 387902591 /nfs/dbraw/zinc/90/25/91/387902591.db2.gz WMGNDYFDWFUIMS-UHFFFAOYSA-N 0 0 209.239 3.621 10 30 BHEERN CCc1cc(C#N)c(OC(F)(F)F)c(CC)c1 ZINC000575652733 387902465 /nfs/dbraw/zinc/90/24/65/387902465.db2.gz XGVHWDVDCUMGMR-UHFFFAOYSA-N 0 0 243.228 3.582 10 30 BHEERN CCc1cc(CC)c(OC(F)(F)F)cc1C#N ZINC000575652743 387901927 /nfs/dbraw/zinc/90/19/27/387901927.db2.gz XSPUTZLMAUBJNU-UHFFFAOYSA-N 0 0 243.228 3.582 10 30 BHEERN CCc1cc(C#N)cc(OC(F)(F)F)c1CC ZINC000575652755 387901930 /nfs/dbraw/zinc/90/19/30/387901930.db2.gz YJTWEGMIMPMRJG-UHFFFAOYSA-N 0 0 243.228 3.582 10 30 BHEERN CCc1ccc(C#N)c(C(F)(F)F)c1CC ZINC000575652772 387893417 /nfs/dbraw/zinc/89/34/17/387893417.db2.gz ZKZREDZPSQNUCS-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN CCc1ccc(C#N)c(CC)c1C(F)(F)F ZINC000575652780 387893139 /nfs/dbraw/zinc/89/31/39/387893139.db2.gz ZNDLVBGJSQMMCU-UHFFFAOYSA-N 0 0 227.229 3.702 10 30 BHEERN Cc1c(C#N)cc(C(F)F)cc1C(F)(F)F ZINC000575670743 387336414 /nfs/dbraw/zinc/33/64/14/387336414.db2.gz AYJXVJZXFRXDMK-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1cc(C(F)(F)F)c(CC)cc1C#N ZINC000575670769 387336928 /nfs/dbraw/zinc/33/69/28/387336928.db2.gz AROCZSYBKMLNDG-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1ccc(C#N)c(C(F)(F)F)c1CC ZINC000575670774 387336480 /nfs/dbraw/zinc/33/64/80/387336480.db2.gz AWIRRDOYEYJGJM-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1ccc(C(F)(F)F)c(CC)c1C#N ZINC000575670833 387336443 /nfs/dbraw/zinc/33/64/43/387336443.db2.gz BPFCHNOVQZWYDV-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C#N)cc(C(F)F)c1C(F)(F)F ZINC000575670866 387336545 /nfs/dbraw/zinc/33/65/45/387336545.db2.gz DDVRCZHODIBFHB-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1c(C#N)cc(C(F)(F)F)cc1CC ZINC000575670939 387336745 /nfs/dbraw/zinc/33/67/45/387336745.db2.gz DYQNYPMHUIMAER-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(CC)cc(C#N)c1C(F)(F)F ZINC000575670990 384463850 /nfs/dbraw/zinc/46/38/50/384463850.db2.gz FLQTVHCINXQTOK-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1c(C#N)cc(CC)cc1C(F)(F)F ZINC000575671048 387336258 /nfs/dbraw/zinc/33/62/58/387336258.db2.gz GMGWDMNESYBSQI-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(CC)c(C#N)c(C(F)(F)F)c1 ZINC000575671052 387336386 /nfs/dbraw/zinc/33/63/86/387336386.db2.gz GNRJMWSKEVNABS-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C#N)cc(CC)c1C(F)(F)F ZINC000575671068 387337451 /nfs/dbraw/zinc/33/74/51/387337451.db2.gz GXSKMSVJDMWUGE-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C(F)(F)F)c(C#N)cc1C(F)F ZINC000575671247 387332925 /nfs/dbraw/zinc/33/29/25/387332925.db2.gz GVRZQSUCKSYWHT-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1c(C#N)cc(C(F)(F)F)cc1C(F)F ZINC000575671277 387334594 /nfs/dbraw/zinc/33/45/94/387334594.db2.gz HXNJAIUCTXADQX-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1c(C(F)F)cc(C#N)cc1C(F)(F)F ZINC000575671302 387334483 /nfs/dbraw/zinc/33/44/83/387334483.db2.gz ILOPEBZARJDIQQ-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1c(C#N)c(CC)ccc1C(F)(F)F ZINC000575671328 387335839 /nfs/dbraw/zinc/33/58/39/387335839.db2.gz IKIAIZQBIYRIMI-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1ccc(C(F)(F)F)c(C#N)c1CC ZINC000575671340 384464858 /nfs/dbraw/zinc/46/48/58/384464858.db2.gz INAVGHLAAARRBE-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1c(CC)ccc(C#N)c1C(F)(F)F ZINC000575671350 387337566 /nfs/dbraw/zinc/33/75/66/387337566.db2.gz IRZMNKSUKAGHJF-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1c(C#N)c(C(F)(F)F)ccc1CC ZINC000575671389 384466067 /nfs/dbraw/zinc/46/60/67/384466067.db2.gz JFSRTNZUFGBRSH-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1ccc(C#N)c(CC)c1C(F)(F)F ZINC000575671410 387334025 /nfs/dbraw/zinc/33/40/25/387334025.db2.gz JQILGHFBBMICPF-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C#N)c(C(F)(F)F)c(CC)c1 ZINC000575671419 387334587 /nfs/dbraw/zinc/33/45/87/387334587.db2.gz JUFRHIIICXCKMX-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1c(CC)c(C#N)ccc1C(F)(F)F ZINC000575671490 387334466 /nfs/dbraw/zinc/33/44/66/387334466.db2.gz KTEFIVIOMJUQMI-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C(F)(F)F)cc(CC)c1C#N ZINC000575671524 387334045 /nfs/dbraw/zinc/33/40/45/387334045.db2.gz LTRPBUKHEUZTAO-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1ccc(CC)c(C#N)c1C(F)(F)F ZINC000575671536 384465367 /nfs/dbraw/zinc/46/53/67/384465367.db2.gz LVUFSNHEMLWXEH-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C#N)c(CC)cc1C(F)(F)F ZINC000575671598 387336088 /nfs/dbraw/zinc/33/60/88/387336088.db2.gz MRFUSRKPEVNPOO-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C(F)(F)F)c(C#N)cc1CC ZINC000575671662 387336602 /nfs/dbraw/zinc/33/66/02/387336602.db2.gz NUWSOWJSYKTXJO-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C(F)F)c(C#N)cc1C(F)(F)F ZINC000575671714 387337630 /nfs/dbraw/zinc/33/76/30/387337630.db2.gz LFXQQZBFMYMRPO-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C#N)c(C(F)F)c(C(F)(F)F)c1 ZINC000575671715 387337740 /nfs/dbraw/zinc/33/77/40/387337740.db2.gz LGIORUMTGTZQHU-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C(F)F)cc(C#N)c1C(F)(F)F ZINC000575671759 387337583 /nfs/dbraw/zinc/33/75/83/387337583.db2.gz MNLHNWBEYUTRNK-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1cc(C(F)(F)F)cc(C#N)c1CC ZINC000575671783 387337319 /nfs/dbraw/zinc/33/73/19/387337319.db2.gz OGBJOMAGTZGJHR-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C#N)c(C(F)(F)F)cc1C(F)F ZINC000575671792 387334740 /nfs/dbraw/zinc/33/47/40/387334740.db2.gz MYDZGVZEKTVUCM-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1cc(CC)c(C(F)(F)F)cc1C#N ZINC000575671889 387341281 /nfs/dbraw/zinc/34/12/81/387341281.db2.gz QZZQYLPPIIULFJ-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C#N)c(C(F)(F)F)cc1CC ZINC000575671892 387340803 /nfs/dbraw/zinc/34/08/03/387340803.db2.gz RHBITKMXGKKIEI-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C#N)c(CC)c(C(F)(F)F)c1 ZINC000575671908 387341294 /nfs/dbraw/zinc/34/12/94/387341294.db2.gz RJMKSXBSNRHHKW-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C(F)F)c(C#N)c(C(F)(F)F)c1 ZINC000575671919 387341011 /nfs/dbraw/zinc/34/10/11/387341011.db2.gz ORMBCUYDDPARCP-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1cc(CC)c(C#N)cc1C(F)(F)F ZINC000575671965 387341540 /nfs/dbraw/zinc/34/15/40/387341540.db2.gz SPMQVCWSMGKHQB-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1ccc(CC)c(C(F)(F)F)c1C#N ZINC000575671982 387340948 /nfs/dbraw/zinc/34/09/48/387340948.db2.gz TUVGWDHIYVYDKP-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(CC)cc(C(F)(F)F)c1C#N ZINC000575672008 387343070 /nfs/dbraw/zinc/34/30/70/387343070.db2.gz UIYMRRLADYUAPB-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1c(C#N)ccc(CC)c1C(F)(F)F ZINC000575672012 387343305 /nfs/dbraw/zinc/34/33/05/387343305.db2.gz UMQCOCUTGHPMGU-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C(F)(F)F)cc(C#N)c1C(F)F ZINC000575672014 384465657 /nfs/dbraw/zinc/46/56/57/384465657.db2.gz QDDGXCCDPVMBGU-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN CCOc1c(C#N)ccc(C(F)(F)F)c1CC ZINC000575672105 387343377 /nfs/dbraw/zinc/34/33/77/387343377.db2.gz VWZVGLVBLOWAKU-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1cc(C#N)cc(C(F)(F)F)c1CC ZINC000575672110 387342626 /nfs/dbraw/zinc/34/26/26/387342626.db2.gz WAUZMHVAXKTLMK-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN CCOc1c(CC)cc(C#N)cc1C(F)(F)F ZINC000575672128 387342716 /nfs/dbraw/zinc/34/27/16/387342716.db2.gz XOIVCKHMHMZPRV-UHFFFAOYSA-N 0 0 243.228 3.538 10 30 BHEERN Cc1cc(C#N)c(C(F)(F)F)c(C(F)F)c1 ZINC000575672140 387343342 /nfs/dbraw/zinc/34/33/42/387343342.db2.gz QOXAGABQWRKBQH-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C(F)(F)F)c(C(F)F)cc1C#N ZINC000575672165 387342997 /nfs/dbraw/zinc/34/29/97/387342997.db2.gz RJPDESRFBLQTJP-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C(F)(F)F)cc(C(F)F)c1C#N ZINC000575672261 387338299 /nfs/dbraw/zinc/33/82/99/387338299.db2.gz WDNMTBSBYKITGA-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C#N)c(C(F)F)cc1C(F)(F)F ZINC000575672263 387337405 /nfs/dbraw/zinc/33/74/05/387337405.db2.gz WFPYHGVBJBKNAF-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C(F)F)cc(C(F)(F)F)c1C#N ZINC000575672276 387338576 /nfs/dbraw/zinc/33/85/76/387338576.db2.gz WPUDKPPSSLBSJC-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C#N)cc(C(F)(F)F)c1C(F)F ZINC000575672303 387337300 /nfs/dbraw/zinc/33/73/00/387337300.db2.gz XSBWEGOYECWXMG-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1cc(C(F)F)c(C(F)(F)F)cc1C#N ZINC000575672312 387338281 /nfs/dbraw/zinc/33/82/81/387338281.db2.gz YCHSWWOWPALSDC-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN Cc1c(C(F)F)ccc(C#N)c1C(F)(F)F ZINC000575672315 387338471 /nfs/dbraw/zinc/33/84/71/387338471.db2.gz YFMBAORMJDOBOZ-UHFFFAOYSA-N 0 0 235.155 3.823 10 30 BHEERN N#Cc1c(Cl)ccc(Cl)c1C(F)(F)F ZINC000575693731 387384593 /nfs/dbraw/zinc/38/45/93/387384593.db2.gz CAXLAZADGCNKPT-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN N#Cc1cc(Cl)c(Cl)cc1C(F)(F)F ZINC000575693744 387384493 /nfs/dbraw/zinc/38/44/93/387384493.db2.gz CCGMCOAYPNVLOV-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN N#Cc1cc(Cl)cc(Cl)c1C(F)(F)F ZINC000575694463 387384500 /nfs/dbraw/zinc/38/45/00/387384500.db2.gz KYEVOFLAKSQRLJ-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN N#Cc1cc(C(F)(F)F)c(Cl)cc1Cl ZINC000575694484 384658082 /nfs/dbraw/zinc/65/80/82/384658082.db2.gz LTHVHZDGSNVCRC-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN N#Cc1cc(Cl)c(C(F)(F)F)cc1Cl ZINC000575695677 387396188 /nfs/dbraw/zinc/39/61/88/387396188.db2.gz WDNZTZADBZAVMX-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN N#Cc1cc(Cl)cc(C(F)(F)F)c1Cl ZINC000575695875 387396247 /nfs/dbraw/zinc/39/62/47/387396247.db2.gz ZFAOXVJQIVVIEQ-UHFFFAOYSA-N 0 0 240.011 3.884 10 30 BHEERN CCc1ccc(C(F)(F)F)c(CC#N)c1C ZINC000575704670 384786556 /nfs/dbraw/zinc/78/65/56/384786556.db2.gz BFGBIRVBYOYFBA-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1c(C)cc(C(F)(F)F)cc1CC#N ZINC000575705119 384789183 /nfs/dbraw/zinc/78/91/83/384789183.db2.gz FAGVZYFMKKHIRW-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1c(C(F)(F)F)ccc(C)c1CC#N ZINC000575705185 387408167 /nfs/dbraw/zinc/40/81/67/387408167.db2.gz GDMRAZGVVAUORA-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C(F)(F)F)cc(CC#N)c1C ZINC000575705622 387410899 /nfs/dbraw/zinc/41/08/99/387410899.db2.gz IMDVEFGAYWMZFX-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1ccc(C)c(C(F)(F)F)c1CC#N ZINC000575705746 387410568 /nfs/dbraw/zinc/41/05/68/387410568.db2.gz KRRUWRVXVWVSKW-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(CC#N)c(C)c(C(F)(F)F)c1 ZINC000575705997 387411065 /nfs/dbraw/zinc/41/10/65/387411065.db2.gz LHYCWQZKEFNGOC-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C(F)(F)F)cc(C)c1CC#N ZINC000575706077 387410788 /nfs/dbraw/zinc/41/07/88/387410788.db2.gz MIPWLVDXGHHBTH-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C(F)(F)F)c(C)cc1CC#N ZINC000575706294 384800644 /nfs/dbraw/zinc/80/06/44/384800644.db2.gz PDHNFKICUBXCFJ-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1ccc(C(F)(F)F)c(C)c1CC#N ZINC000575706325 387411171 /nfs/dbraw/zinc/41/11/71/387411171.db2.gz POCGDDFJPKGXBY-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1c(CC#N)cc(C)cc1C(F)(F)F ZINC000575706583 387410971 /nfs/dbraw/zinc/41/09/71/387410971.db2.gz RAIURVHBSPFURD-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1ccc(C)c(CC#N)c1C(F)(F)F ZINC000575706616 387411190 /nfs/dbraw/zinc/41/11/90/387411190.db2.gz SQDZEFQWZFXTOZ-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C)c(C(F)(F)F)cc1CC#N ZINC000575706797 387410844 /nfs/dbraw/zinc/41/08/44/387410844.db2.gz VPNDJWYFACYSMO-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C)cc(CC#N)c1C(F)(F)F ZINC000575706818 387410529 /nfs/dbraw/zinc/41/05/29/387410529.db2.gz WXXKGOIADRUTQB-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C)cc(C(F)(F)F)c1CC#N ZINC000575706823 384805028 /nfs/dbraw/zinc/80/50/28/384805028.db2.gz WZMGXMCRBLQAHT-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1cc(C(F)(F)F)c(CC#N)cc1C ZINC000575706844 387410516 /nfs/dbraw/zinc/41/05/16/387410516.db2.gz XPKKHFVXFXDISY-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN CCc1c(C)ccc(C(F)(F)F)c1CC#N ZINC000575706899 387410472 /nfs/dbraw/zinc/41/04/72/387410472.db2.gz ZXYBXIPJEFXODL-UHFFFAOYSA-N 0 0 227.229 3.642 10 30 BHEERN C#C[C@H](O)c1cc2ccccc2c2ccccc21 ZINC000584590602 358249020 /nfs/dbraw/zinc/24/90/20/358249020.db2.gz GHRNABRCLLZQRF-KRWDZBQOSA-N 0 0 232.282 3.660 10 30 BHEERN C#C[C@@H](O)c1cc2ccccc2c2ccccc21 ZINC000584590604 358248931 /nfs/dbraw/zinc/24/89/31/358248931.db2.gz GHRNABRCLLZQRF-QGZVFWFLSA-N 0 0 232.282 3.660 10 30 BHEERN N#CCOc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000584591544 358249528 /nfs/dbraw/zinc/24/95/28/358249528.db2.gz WGTKESIQMUEAFT-UHFFFAOYSA-N 0 0 243.693 3.909 10 30 BHEERN C=CCSc1ccccc1C(F)(F)F ZINC000584591667 358249829 /nfs/dbraw/zinc/24/98/29/358249829.db2.gz QOXRDMPJLFDDHM-UHFFFAOYSA-N 0 0 218.243 3.984 10 30 BHEERN CSc1ccccc1/N=C/c1cccnc1 ZINC000584591903 358250262 /nfs/dbraw/zinc/25/02/62/358250262.db2.gz VPYQAGFXXXTYJI-XNTDXEJSSA-N 0 0 228.320 3.554 10 30 BHEERN FCCCC#Cc1ccc(Br)cc1 ZINC000584593011 358250985 /nfs/dbraw/zinc/25/09/85/358250985.db2.gz BGDHCUBZFPGTCT-UHFFFAOYSA-N 0 0 241.103 3.550 10 30 BHEERN C=C[C@@H](C)c1c(C)c(OC)c(C)c(C)c1OC ZINC000584593157 358251010 /nfs/dbraw/zinc/25/10/10/358251010.db2.gz FGNZXMOKONULSX-SECBINFHSA-N 0 0 234.339 3.919 10 30 BHEERN C=C[C@H](C)c1c(C)c(OC)c(C)c(C)c1OC ZINC000584593158 358250911 /nfs/dbraw/zinc/25/09/11/358250911.db2.gz FGNZXMOKONULSX-VIFPVBQESA-N 0 0 234.339 3.919 10 30 BHEERN C=C(C)c1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000584593531 488017821 /nfs/dbraw/zinc/01/78/21/488017821.db2.gz WLLWBNVERITHLY-UHFFFAOYSA-N 0 0 247.172 3.527 10 30 BHEERN CC(C)C(C=O)(c1ccccc1)c1ccccc1 ZINC000584593850 398077202 /nfs/dbraw/zinc/07/72/02/398077202.db2.gz VHYITACBBHKFLS-UHFFFAOYSA-N 0 0 238.330 3.828 10 30 BHEERN N#CCc1ccc(CCc2ccccc2)cc1 ZINC000584594472 398077115 /nfs/dbraw/zinc/07/71/15/398077115.db2.gz HNKZMXDLKOGDOI-UHFFFAOYSA-N 0 0 221.303 3.538 10 30 BHEERN CCC[C@@](C#N)(CCOCC)c1ccccc1 ZINC000584594671 358252080 /nfs/dbraw/zinc/25/20/80/358252080.db2.gz SLVADYBYHWMXHK-HNNXBMFYSA-N 0 0 231.339 3.675 10 30 BHEERN CCC[C@](C#N)(CCOCC)c1ccccc1 ZINC000584594672 358251854 /nfs/dbraw/zinc/25/18/54/358251854.db2.gz SLVADYBYHWMXHK-OAHLLOKOSA-N 0 0 231.339 3.675 10 30 BHEERN N#CC[C@H](O)Cc1ccc(C2CCCCC2)cc1 ZINC000584594709 358251823 /nfs/dbraw/zinc/25/18/23/358251823.db2.gz WHNOXPKQGQKHIT-INIZCTEOSA-N 0 0 243.350 3.551 10 30 BHEERN N#CC[C@@H](O)Cc1ccc(C2CCCCC2)cc1 ZINC000584594710 358251861 /nfs/dbraw/zinc/25/18/61/358251861.db2.gz WHNOXPKQGQKHIT-MRXNPFEDSA-N 0 0 243.350 3.551 10 30 BHEERN N#C[C@@H](F)c1ccc(Br)cc1Cl ZINC000584594713 358252164 /nfs/dbraw/zinc/25/21/64/358252164.db2.gz WMCWMJDIJICGPU-MRVPVSSYSA-N 0 0 248.482 3.637 10 30 BHEERN N#C[C@H](F)c1ccc(Br)cc1Cl ZINC000584594714 358251816 /nfs/dbraw/zinc/25/18/16/358251816.db2.gz WMCWMJDIJICGPU-QMMMGPOBSA-N 0 0 248.482 3.637 10 30 BHEERN N#CCc1ccccc1Oc1ccccc1CC#N ZINC000584595563 358253247 /nfs/dbraw/zinc/25/32/47/358253247.db2.gz KDACAOZLNFQAJS-UHFFFAOYSA-N 0 0 248.285 3.611 10 30 BHEERN N#CCc1ccc(Oc2ccccc2CC#N)cc1 ZINC000584595576 358253220 /nfs/dbraw/zinc/25/32/20/358253220.db2.gz MSPZNMCFKWFZGL-UHFFFAOYSA-N 0 0 248.285 3.611 10 30 BHEERN N#CCc1cccc(Oc2ccccc2CC#N)c1 ZINC000584595627 358253162 /nfs/dbraw/zinc/25/31/62/358253162.db2.gz UDCULROQEZGQNN-UHFFFAOYSA-N 0 0 248.285 3.611 10 30 BHEERN C=C[C@](O)(c1ccccc1)C1CCCCC1 ZINC000584595937 358253290 /nfs/dbraw/zinc/25/32/90/358253290.db2.gz BUKICOWOPLDFPZ-HNNXBMFYSA-N 0 0 216.324 3.641 10 30 BHEERN C=C[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000584595938 358253210 /nfs/dbraw/zinc/25/32/10/358253210.db2.gz BUKICOWOPLDFPZ-OAHLLOKOSA-N 0 0 216.324 3.641 10 30 BHEERN N#CCCc1ccccc1-c1ccsc1 ZINC000584596014 358254067 /nfs/dbraw/zinc/25/40/67/358254067.db2.gz TTYWRXUJJQUHPS-UHFFFAOYSA-N 0 0 213.305 3.871 10 30 BHEERN C=C(C)C[C@@H](CC(=O)OCC)c1ccccc1 ZINC000584596661 358254121 /nfs/dbraw/zinc/25/41/21/358254121.db2.gz FLTZSTPFPSXQJW-AWEZNQCLSA-N 0 0 232.323 3.690 10 30 BHEERN C=C(C)C[C@H](CC(=O)OCC)c1ccccc1 ZINC000584596665 358253654 /nfs/dbraw/zinc/25/36/54/358253654.db2.gz FLTZSTPFPSXQJW-CQSZACIVSA-N 0 0 232.323 3.690 10 30 BHEERN C=CC[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000584596735 358254366 /nfs/dbraw/zinc/25/43/66/358254366.db2.gz KRBZSWAWXXNJCR-AWEZNQCLSA-N 0 0 246.350 3.763 10 30 BHEERN C=CC[C@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC000584596736 358254616 /nfs/dbraw/zinc/25/46/16/358254616.db2.gz KRBZSWAWXXNJCR-CQSZACIVSA-N 0 0 246.350 3.763 10 30 BHEERN N#Cc1cccc(-c2nc(-c3ccccc3)c[nH]2)c1 ZINC000584598686 385465320 /nfs/dbraw/zinc/46/53/20/385465320.db2.gz CNNGZDTZAAQYRF-UHFFFAOYSA-N 0 0 245.285 3.615 10 30 BHEERN N#Cc1cccc(Oc2ccc(N)c(Cl)c2)c1 ZINC000584598904 385471410 /nfs/dbraw/zinc/47/14/10/385471410.db2.gz SZYDJXAVAOQHAP-UHFFFAOYSA-N 0 0 244.681 3.586 10 30 BHEERN C=Cc1cc(C#N)ccc1OCc1ccccc1 ZINC000584598921 385467289 /nfs/dbraw/zinc/46/72/89/385467289.db2.gz WWLVDGVRBVHBKB-UHFFFAOYSA-N 0 0 235.286 3.780 10 30 BHEERN O/N=C1\CCCCCc2ccc(cc2)CC1 ZINC000584599829 358256419 /nfs/dbraw/zinc/25/64/19/358256419.db2.gz REJUOTPXLVULRC-CCEZHUSRSA-N 0 0 217.312 3.566 10 30 BHEERN O=C1/C(=C\c2ccc(F)cc2)C2CCC1CC2 ZINC000584599838 358256569 /nfs/dbraw/zinc/25/65/69/358256569.db2.gz RRYQVWQVAKIMKY-ZROIWOOFSA-N 0 0 230.282 3.598 10 30 BHEERN C[C@H](C#N)n1c2ccccc2c2c1CCCCC2 ZINC000584600334 358257154 /nfs/dbraw/zinc/25/71/54/358257154.db2.gz ILYNMOVXLYAGTA-GFCCVEGCSA-N 0 0 238.334 3.995 10 30 BHEERN C[C@@H](C#N)n1c2ccccc2c2c1CCCCC2 ZINC000584600348 358257115 /nfs/dbraw/zinc/25/71/15/358257115.db2.gz ILYNMOVXLYAGTA-LBPRGKRZSA-N 0 0 238.334 3.995 10 30 BHEERN COc1ccc([C@@H]2CC[C@@H](C#N)[C@H](C)C2)cc1 ZINC000584600376 358257001 /nfs/dbraw/zinc/25/70/01/358257001.db2.gz HNYQRAMNKUZIKO-BNOWGMLFSA-N 0 0 229.323 3.739 10 30 BHEERN O=C[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1 ZINC000584600379 358257145 /nfs/dbraw/zinc/25/71/45/358257145.db2.gz JEIQVBGRZMSYJC-HAQNSBGRSA-N 0 0 227.307 3.641 10 30 BHEERN O/N=C1/CCCCC[C@@H]1c1ccccc1 ZINC000584600520 358256963 /nfs/dbraw/zinc/25/69/63/358256963.db2.gz OYAWGZAJTZOOHE-HUTFPVNGSA-N 0 0 203.285 3.565 10 30 BHEERN O/N=C1/CCCCC[C@H]1c1ccccc1 ZINC000584600521 358257021 /nfs/dbraw/zinc/25/70/21/358257021.db2.gz OYAWGZAJTZOOHE-JOLOJFPGSA-N 0 0 203.285 3.565 10 30 BHEERN CCCC(=NC#N)N[C@@H](C)c1ccc(Cl)cc1 ZINC000584600563 358257054 /nfs/dbraw/zinc/25/70/54/358257054.db2.gz NKTFKRYOYRQDRJ-JTQLQIEISA-N 0 0 249.745 3.670 10 30 BHEERN CCCC(=NC#N)N[C@H](C)c1ccc(Cl)cc1 ZINC000584600564 358257060 /nfs/dbraw/zinc/25/70/60/358257060.db2.gz NKTFKRYOYRQDRJ-SNVBAGLBSA-N 0 0 249.745 3.670 10 30 BHEERN N#CCC1(c2ccc(Cl)cc2)CCC(=O)CC1 ZINC000584600638 358256993 /nfs/dbraw/zinc/25/69/93/358256993.db2.gz ROZQXRNURLVSEI-UHFFFAOYSA-N 0 0 247.725 3.635 10 30 BHEERN C#CCn1c2ccccc2c2c1CCCCC2 ZINC000584600648 358256999 /nfs/dbraw/zinc/25/69/99/358256999.db2.gz VTXCLXVLCPEKRM-UHFFFAOYSA-N 0 0 223.319 3.543 10 30 BHEERN CC(=O)ON=C1CCC(c2ccc(C)cc2)CC1 ZINC000584601344 358258208 /nfs/dbraw/zinc/25/82/08/358258208.db2.gz DZUQAMOGZOSLTN-UHFFFAOYSA-N 0 0 245.322 3.572 10 30 BHEERN CC(=O)ON=C1CCC(c2ccccc2C)CC1 ZINC000584601360 358258122 /nfs/dbraw/zinc/25/81/22/358258122.db2.gz IKCHJFQCTPOELM-UHFFFAOYSA-N 0 0 245.322 3.572 10 30 BHEERN CC(=O)ON=C1CCC(c2cccc(C)c2)CC1 ZINC000584601409 358257995 /nfs/dbraw/zinc/25/79/95/358257995.db2.gz RWFDYVRYIFQDHX-UHFFFAOYSA-N 0 0 245.322 3.572 10 30 BHEERN CC(=NC#N)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000584601831 358259353 /nfs/dbraw/zinc/25/93/53/358259353.db2.gz PXQVYIDAHQSGMZ-LLVKDONJSA-N 0 0 243.354 3.534 10 30 BHEERN CC(=NC#N)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000584601834 358259379 /nfs/dbraw/zinc/25/93/79/358259379.db2.gz PXQVYIDAHQSGMZ-NSHDSACASA-N 0 0 243.354 3.534 10 30 BHEERN CCC[C@@H](NC(C)=NC#N)c1ccc(Cl)cc1 ZINC000584602064 358259344 /nfs/dbraw/zinc/25/93/44/358259344.db2.gz YLNXXNMFNMIENA-CYBMUJFWSA-N 0 0 249.745 3.670 10 30 BHEERN CCC[C@H](NC(C)=NC#N)c1ccc(Cl)cc1 ZINC000584602065 358259470 /nfs/dbraw/zinc/25/94/70/358259470.db2.gz YLNXXNMFNMIENA-ZDUSSCGKSA-N 0 0 249.745 3.670 10 30 BHEERN CCCCCCCC[C@@](F)(C#N)C(=O)OCC ZINC000584602096 358259343 /nfs/dbraw/zinc/25/93/43/358259343.db2.gz PPTAWJIZQUNFKC-CYBMUJFWSA-N 0 0 243.322 3.532 10 30 BHEERN CCCCCCCC[C@](F)(C#N)C(=O)OCC ZINC000584602101 358260171 /nfs/dbraw/zinc/26/01/71/358260171.db2.gz PPTAWJIZQUNFKC-ZDUSSCGKSA-N 0 0 243.322 3.532 10 30 BHEERN N#CC1c2ccccc2CCCc2ccccc21 ZINC000584602175 358260111 /nfs/dbraw/zinc/26/01/11/358260111.db2.gz JRGRJMQIXVSUSS-UHFFFAOYSA-N 0 0 233.314 3.831 10 30 BHEERN CCCC#CP(=O)(OC(C)C)OC(C)C ZINC000584602777 358260659 /nfs/dbraw/zinc/26/06/59/358260659.db2.gz WYBFESJQEWKRJQ-UHFFFAOYSA-N 0 0 232.260 3.791 10 30 BHEERN C=C(C)C#CP(=O)(OC(C)C)OC(C)C ZINC000584602795 358260605 /nfs/dbraw/zinc/26/06/05/358260605.db2.gz ZUTAVYYZBIYSEB-UHFFFAOYSA-N 0 0 230.244 3.567 10 30 BHEERN COc1ccc(/C=C2/CCC[C@@H]2CC#N)cc1 ZINC000584602860 358260763 /nfs/dbraw/zinc/26/07/63/358260763.db2.gz GESTWLVWCKNAID-KECPUOCWSA-N 0 0 227.307 3.792 10 30 BHEERN COc1ccc(/C=C2\CCC[C@@H]2CC#N)cc1 ZINC000584602861 358260502 /nfs/dbraw/zinc/26/05/02/358260502.db2.gz GESTWLVWCKNAID-MBFWDRTGSA-N 0 0 227.307 3.792 10 30 BHEERN COc1ccc(/C=C2\CCC[C@H]2CC#N)cc1 ZINC000584602862 358260585 /nfs/dbraw/zinc/26/05/85/358260585.db2.gz GESTWLVWCKNAID-UQRISPGASA-N 0 0 227.307 3.792 10 30 BHEERN COc1ccc(/C=C2/CCC[C@H]2CC#N)cc1 ZINC000584602863 358260452 /nfs/dbraw/zinc/26/04/52/358260452.db2.gz GESTWLVWCKNAID-UROBUVALSA-N 0 0 227.307 3.792 10 30 BHEERN COc1cc(C2(C#N)CCCC2)ccc1Cl ZINC000584602930 358260445 /nfs/dbraw/zinc/26/04/45/358260445.db2.gz HYCZLSMNTQEBPM-UHFFFAOYSA-N 0 0 235.714 3.684 10 30 BHEERN COc1ccc(C[C@@H]2CCC[C@H]2CC#N)cc1 ZINC000584603265 358261476 /nfs/dbraw/zinc/26/14/76/358261476.db2.gz OJEREZGUVVEOHM-KBPBESRZSA-N 0 0 229.323 3.568 10 30 BHEERN COc1ccc(C[C@H]2CCC[C@H]2CC#N)cc1 ZINC000584603267 358261249 /nfs/dbraw/zinc/26/12/49/358261249.db2.gz OJEREZGUVVEOHM-UONOGXRCSA-N 0 0 229.323 3.568 10 30 BHEERN O=C1C=C[C@H]2C(=C1)CC[C@H]1[C@@H]3CCC[C@H]3CC[C@H]21 ZINC000584604655 358263831 /nfs/dbraw/zinc/26/38/31/358263831.db2.gz AZRKGEOPFCFNMW-MDBLMMRSSA-N 0 0 242.362 3.904 10 30 BHEERN CCCCC#CSc1ccc([N+](=O)[O-])cc1 ZINC000584604933 358263742 /nfs/dbraw/zinc/26/37/42/358263742.db2.gz JDTJHDDEJJRGRP-UHFFFAOYSA-N 0 0 235.308 3.838 10 30 BHEERN C/N=C1\c2ccccc2CSc2ccccc21 ZINC000584605166 358263837 /nfs/dbraw/zinc/26/38/37/358263837.db2.gz CXBVYLUUBVWLKO-FOCLMDBBSA-N 0 0 239.343 3.760 10 30 BHEERN C/N=C1/c2ccccc2CSc2ccccc21 ZINC000584605170 358263694 /nfs/dbraw/zinc/26/36/94/358263694.db2.gz CXBVYLUUBVWLKO-NXVVXOECSA-N 0 0 239.343 3.760 10 30 BHEERN O/N=C(\[C@H]1Cc2ccccc21)C1CCCCC1 ZINC000584606348 358265280 /nfs/dbraw/zinc/26/52/80/358265280.db2.gz QYNRCAPJZXMYPZ-DQHOPXMZSA-N 0 0 229.323 3.737 10 30 BHEERN O/N=C(\[C@@H]1Cc2ccccc21)C1CCCCC1 ZINC000584606351 358265397 /nfs/dbraw/zinc/26/53/97/358265397.db2.gz QYNRCAPJZXMYPZ-PQDJCJPTSA-N 0 0 229.323 3.737 10 30 BHEERN C=CC/N=C(\C)c1cccc(C(F)(F)F)c1 ZINC000584607118 358267405 /nfs/dbraw/zinc/26/74/05/358267405.db2.gz GSPOWTJLBNTGHP-CXUHLZMHSA-N 0 0 227.229 3.700 10 30 BHEERN C=C(CSC(F)(F)F)c1cccc(OC)c1 ZINC000584607230 358267182 /nfs/dbraw/zinc/26/71/82/358267182.db2.gz JDZLLEWMSMPPSW-UHFFFAOYSA-N 0 0 248.269 3.961 10 30 BHEERN CC[C@H](C#C[Si](C)(C)C)[Si](C)(C)C ZINC000584607367 358267753 /nfs/dbraw/zinc/26/77/53/358267753.db2.gz AMGNXGASHCLQMX-LLVKDONJSA-N 0 0 212.485 3.986 10 30 BHEERN CC[C@@H](C#C[Si](C)(C)C)[Si](C)(C)C ZINC000584607369 358267906 /nfs/dbraw/zinc/26/79/06/358267906.db2.gz AMGNXGASHCLQMX-NSHDSACASA-N 0 0 212.485 3.986 10 30 BHEERN CCCC/N=C(\c1ccccc1)C(F)(F)F ZINC000584607889 358268265 /nfs/dbraw/zinc/26/82/65/358268265.db2.gz OKFZYXUXHQIABF-LFIBNONCSA-N 0 0 229.245 3.838 10 30 BHEERN CC(C)C(Cl)(Cl)/C=N/C(C)(C)C ZINC000584607938 358268244 /nfs/dbraw/zinc/26/82/44/358268244.db2.gz VJYANZOALXMHBP-WUXMJOGZSA-N 0 0 210.148 3.686 10 30 BHEERN C=C(C#Cc1ccccc1)CSC(F)(F)F ZINC000584608030 358268413 /nfs/dbraw/zinc/26/84/13/358268413.db2.gz GEXYYPJAYHOPKP-UHFFFAOYSA-N 0 0 242.265 3.847 10 30 BHEERN C=C(c1ccccc1)C(F)(F)Br ZINC000584609053 358269782 /nfs/dbraw/zinc/26/97/82/358269782.db2.gz HHIYLBQRCZXFKR-UHFFFAOYSA-N 0 0 233.055 3.688 10 30 BHEERN C=CC[Si](C)(CC=C)CCCS ZINC000584609136 358269906 /nfs/dbraw/zinc/26/99/06/358269906.db2.gz UWGFVCISFKXVJS-UHFFFAOYSA-N 0 0 200.423 3.757 10 30 BHEERN Cc1ccc(C#CSC(F)(F)F)cc1 ZINC000584609207 358270443 /nfs/dbraw/zinc/27/04/43/358270443.db2.gz WVAVNBWYFPCISG-UHFFFAOYSA-N 0 0 216.227 3.557 10 30 BHEERN N#CCC/C=C\c1ccc(OC(F)(F)F)cc1 ZINC000584609210 358270645 /nfs/dbraw/zinc/27/06/45/358270645.db2.gz XXCVDMKWSSDFEX-RQOWECAXSA-N 0 0 241.212 3.902 10 30 BHEERN CCCCCC/C=C/[C@H](O)[Si](C)(C)C ZINC000584609218 358270389 /nfs/dbraw/zinc/27/03/89/358270389.db2.gz ADXSQUYLCMWKOE-HCRIHEDKSA-N 0 0 214.425 3.751 10 30 BHEERN CCCCCC/C=C/[C@@H](O)[Si](C)(C)C ZINC000584609219 358270572 /nfs/dbraw/zinc/27/05/72/358270572.db2.gz ADXSQUYLCMWKOE-IIANPFDCSA-N 0 0 214.425 3.751 10 30 BHEERN CC/C(F)=C\C(=O)c1ccc(Cl)cc1 ZINC000584609348 358270673 /nfs/dbraw/zinc/27/06/73/358270673.db2.gz JETZNOYYQKANTE-JXMROGBWSA-N 0 0 212.651 3.786 10 30 BHEERN CC(F)=CC(=O)c1ccc(Br)cc1 ZINC000584609463 358271222 /nfs/dbraw/zinc/27/12/22/358271222.db2.gz QCESUNVWURZPGK-VOTSOKGWSA-N 0 0 243.075 3.505 10 30 BHEERN C/C(=N\c1ccc(Cl)cc1)C(F)(F)F ZINC000584609566 358271241 /nfs/dbraw/zinc/27/12/41/358271241.db2.gz HFAZKSFGDDLGSC-MKMNVTDBSA-N 0 0 221.609 3.995 10 30 BHEERN C=CC/C=C(/Cl)COc1ccccc1 ZINC000584609688 358271082 /nfs/dbraw/zinc/27/10/82/358271082.db2.gz WNFPEMSVJURTMH-YRNVUSSQSA-N 0 0 208.688 3.764 10 30 BHEERN CC(F)=C(C)C(=O)c1ccc(Cl)cc1 ZINC000584609724 358271057 /nfs/dbraw/zinc/27/10/57/358271057.db2.gz XOSGPPWTBUGAIR-BQYQJAHWSA-N 0 0 212.651 3.786 10 30 BHEERN C/C(=N\O)c1cc2ccc(Cl)cc2s1 ZINC000584609745 358271943 /nfs/dbraw/zinc/27/19/43/358271943.db2.gz YPZQUNDRFZGRRU-WUXMJOGZSA-N 0 0 225.700 3.753 10 30 BHEERN O=C(C=Cc1cccs1)Cc1cccs1 ZINC000584609750 358271826 /nfs/dbraw/zinc/27/18/26/358271826.db2.gz YRKXTNDKNQRQND-AATRIKPKSA-N 0 0 234.345 3.635 10 30 BHEERN C(#Cc1cccs1)/C=C/c1cccs1 ZINC000584609942 358272063 /nfs/dbraw/zinc/27/20/63/358272063.db2.gz WIQJUQXOHBPZFC-ORCRQEGFSA-N 0 0 216.330 3.875 10 30 BHEERN CC/C=C/C(=O)P(=O)(OC(C)C)OC(C)C ZINC000584609961 358271771 /nfs/dbraw/zinc/27/17/71/358271771.db2.gz BIDXCEAFYLNGTA-BQYQJAHWSA-N 0 0 248.259 3.522 10 30 BHEERN C/C=C1\COc2c(Cl)cc(Cl)cc2C1=O ZINC000584609983 358271760 /nfs/dbraw/zinc/27/17/60/358271760.db2.gz FYKKJYNOFCZOBO-QHHAFSJGSA-N 0 0 243.089 3.515 10 30 BHEERN C=C[C@@H](C)SC(=O)N(C)c1ccccc1 ZINC000584610424 358273129 /nfs/dbraw/zinc/27/31/29/358273129.db2.gz CNWPEJIWUOCPNZ-SNVBAGLBSA-N 0 0 221.325 3.551 10 30 BHEERN C=C[C@@H](C)SC(=O)N(C)c1cccc(F)c1 ZINC000584610445 358273249 /nfs/dbraw/zinc/27/32/49/358273249.db2.gz MGALWQKAGBEYND-SECBINFHSA-N 0 0 239.315 3.690 10 30 BHEERN CCC[C@H](CC=O)c1ccc(Cl)cc1 ZINC000584610503 358273896 /nfs/dbraw/zinc/27/38/96/358273896.db2.gz HONUSSUZXUAJKR-SNVBAGLBSA-N 0 0 210.704 3.813 10 30 BHEERN CC/C(F)=C/C(=O)c1ccc(Cl)cc1 ZINC000584610988 358274540 /nfs/dbraw/zinc/27/45/40/358274540.db2.gz JETZNOYYQKANTE-YFHOEESVSA-N 0 0 212.651 3.786 10 30 BHEERN CC(=O)C=C(C)Nc1c(C)cccc1Cl ZINC000584611092 358275190 /nfs/dbraw/zinc/27/51/90/358275190.db2.gz GBLJFSOLASDBSB-CLFYSBASSA-N 0 0 223.703 3.553 10 30 BHEERN C=CC/C=C(\Br)c1ccccc1 ZINC000584611139 358274828 /nfs/dbraw/zinc/27/48/28/358274828.db2.gz PGTKTCBEGIWFTO-LUAWRHEFSA-N 0 0 223.113 3.999 10 30 BHEERN CC(F)=CC(=O)c1ccc(Br)cc1 ZINC000584611154 358275023 /nfs/dbraw/zinc/27/50/23/358275023.db2.gz QCESUNVWURZPGK-SREVYHEPSA-N 0 0 243.075 3.505 10 30 BHEERN CC(F)=C(C)C(=O)c1ccc(Cl)cc1 ZINC000584611203 358275078 /nfs/dbraw/zinc/27/50/78/358275078.db2.gz XOSGPPWTBUGAIR-FPLPWBNLSA-N 0 0 212.651 3.786 10 30 BHEERN CO/N=C(\C)c1ccccc1SC(F)(F)F ZINC000584612897 358276886 /nfs/dbraw/zinc/27/68/86/358276886.db2.gz WCOIBMUQFZFAMV-VGOFMYFVSA-N 0 0 249.257 3.669 10 30 BHEERN Cc1ccc(C#CCSC(F)(F)F)cc1 ZINC000584613146 358277111 /nfs/dbraw/zinc/27/71/11/358277111.db2.gz GHZCMSXQBMDNFA-UHFFFAOYSA-N 0 0 230.254 3.600 10 30 BHEERN C=C(CC(C)C)c1ccccc1[N+](=O)[O-] ZINC000584613380 358277720 /nfs/dbraw/zinc/27/77/20/358277720.db2.gz GRSDKEZJFJNBCE-UHFFFAOYSA-N 0 0 205.257 3.654 10 30 BHEERN C=C[C@H](O)[Si](CCC)(CCC)CCC ZINC000584613986 398077868 /nfs/dbraw/zinc/07/78/68/398077868.db2.gz SRZYDWGHSHEJGA-GFCCVEGCSA-N 0 0 214.425 3.751 10 30 BHEERN C=C[C@@H](O)[Si](CCC)(CCC)CCC ZINC000584613987 398078076 /nfs/dbraw/zinc/07/80/76/398078076.db2.gz SRZYDWGHSHEJGA-LBPRGKRZSA-N 0 0 214.425 3.751 10 30 BHEERN C=C[C@H](O)[Si](C(C)C)(C(C)C)C(C)C ZINC000584613989 398077843 /nfs/dbraw/zinc/07/78/43/398077843.db2.gz SXXOFIDBBOXQKM-GFCCVEGCSA-N 0 0 214.425 3.751 10 30 BHEERN C=C[C@@H](O)[Si](C(C)C)(C(C)C)C(C)C ZINC000584613990 398078162 /nfs/dbraw/zinc/07/81/62/398078162.db2.gz SXXOFIDBBOXQKM-LBPRGKRZSA-N 0 0 214.425 3.751 10 30 BHEERN CC(C)c1cc(C#N)c(C#N)cc1C(C)C ZINC000584614364 358278724 /nfs/dbraw/zinc/27/87/24/358278724.db2.gz QWDDDRXWZSTTMS-UHFFFAOYSA-N 0 0 212.296 3.677 10 30 BHEERN Cc1cc(C#Cc2csc(C)c2)cs1 ZINC000584614519 358278984 /nfs/dbraw/zinc/27/89/84/358278984.db2.gz ZDYZWQGZJHMBGW-UHFFFAOYSA-N 0 0 218.346 3.826 10 30 BHEERN N#CCc1cccc(CC#N)c1Oc1ccccc1 ZINC000584615462 491069947 /nfs/dbraw/zinc/06/99/47/491069947.db2.gz QLYRPKVLRJGNHS-UHFFFAOYSA-N 0 0 248.285 3.611 10 30 BHEERN C=C(CC)c1ccccc1Br ZINC000584616225 358280914 /nfs/dbraw/zinc/28/09/14/358280914.db2.gz DJUUCEUNEJTGAC-UHFFFAOYSA-N 0 0 211.102 3.872 10 30 BHEERN C=CC(F)(F)Oc1ccccc1Br ZINC000584616279 488019321 /nfs/dbraw/zinc/01/93/21/488019321.db2.gz LWKVMHBQUPBCQO-UHFFFAOYSA-N 0 0 249.054 3.607 10 30 BHEERN C=CC(F)(F)c1ccc(Br)cc1 ZINC000584616375 398078456 /nfs/dbraw/zinc/07/84/56/398078456.db2.gz OUEMSMQQHBDEPC-UHFFFAOYSA-N 0 0 233.055 3.727 10 30 BHEERN C=CC(F)(F)c1cccc(Br)c1 ZINC000584616454 398078431 /nfs/dbraw/zinc/07/84/31/398078431.db2.gz WTUSZMMVGDSVFY-UHFFFAOYSA-N 0 0 233.055 3.727 10 30 BHEERN FC(F)(F)CC#Cc1ccc(Cl)cc1 ZINC000584616542 358281396 /nfs/dbraw/zinc/28/13/96/358281396.db2.gz VMCXEZZWBAQFOZ-UHFFFAOYSA-N 0 0 218.605 3.644 10 30 BHEERN FC(F)=C(F)C#Cc1ccccc1Cl ZINC000584616609 358281414 /nfs/dbraw/zinc/28/14/14/358281414.db2.gz YUVALFDDSVEKKM-UHFFFAOYSA-N 0 0 216.589 3.769 10 30 BHEERN C=C=CSCCCSCC(=C)Cl ZINC000584616624 358281527 /nfs/dbraw/zinc/28/15/27/358281527.db2.gz NCEKHBLGQVQZEN-UHFFFAOYSA-N 0 0 220.790 3.894 10 30 BHEERN N#CCC1=C(c2ccc(Cl)cc2)C(=O)CCC1 ZINC000584616665 358281465 /nfs/dbraw/zinc/28/14/65/358281465.db2.gz VQLVJWUEMXLVJN-UHFFFAOYSA-N 0 0 245.709 3.760 10 30 BHEERN C[C@H](C=O)c1ccc2c(c1)C[C@H]1CCCC[C@H]21 ZINC000584617201 358282062 /nfs/dbraw/zinc/28/20/62/358282062.db2.gz CMGWMSBRASTOGS-KYOSRNDESA-N 0 0 228.335 3.819 10 30 BHEERN C[C@H](C=O)c1ccc2c(c1)C[C@@H]1CCCC[C@@H]21 ZINC000584617207 358282150 /nfs/dbraw/zinc/28/21/50/358282150.db2.gz CMGWMSBRASTOGS-OSAQELSMSA-N 0 0 228.335 3.819 10 30 BHEERN C[C@H](C=O)c1ccc2c(c1)C[C@H]1CCCC[C@@H]21 ZINC000584617208 358282134 /nfs/dbraw/zinc/28/21/34/358282134.db2.gz CMGWMSBRASTOGS-UXIGCNINSA-N 0 0 228.335 3.819 10 30 BHEERN C[C@H](C=O)c1ccc2c(c1)C[C@@H]1CCCC[C@H]21 ZINC000584617209 358282032 /nfs/dbraw/zinc/28/20/32/358282032.db2.gz CMGWMSBRASTOGS-ZLDLUXBVSA-N 0 0 228.335 3.819 10 30 BHEERN C=C(C)C(=O)CCCc1cccc2[nH]ccc21 ZINC000584617460 358283105 /nfs/dbraw/zinc/28/31/05/358283105.db2.gz YSLVARLTHXBTIY-UHFFFAOYSA-N 0 0 227.307 3.636 10 30 BHEERN CC1(C)c2cccc3cccc(c23)[C@H]1C#N ZINC000584617726 358283620 /nfs/dbraw/zinc/28/36/20/358283620.db2.gz LWPLUFKGTVPGTM-CYBMUJFWSA-N 0 0 207.276 3.738 10 30 BHEERN CC1(C)c2cccc3cccc(c23)[C@@H]1C#N ZINC000584617728 358283598 /nfs/dbraw/zinc/28/35/98/358283598.db2.gz LWPLUFKGTVPGTM-ZDUSSCGKSA-N 0 0 207.276 3.738 10 30 BHEERN CC1(C)CC(C)(C)c2cc(CC#N)ccc21 ZINC000584618403 358284151 /nfs/dbraw/zinc/28/41/51/358284151.db2.gz FTXOAVFFMHUTMX-UHFFFAOYSA-N 0 0 213.324 3.712 10 30 BHEERN CC(C)[C@@H]1Cc2ccc([C@H](C)C#N)cc2C1 ZINC000584618690 358284663 /nfs/dbraw/zinc/28/46/63/358284663.db2.gz PXLGRXCUTTXRSC-BXUZGUMPSA-N 0 0 213.324 3.684 10 30 BHEERN CC(C)[C@H]1Cc2ccc([C@@H](C)C#N)cc2C1 ZINC000584618697 358284995 /nfs/dbraw/zinc/28/49/95/358284995.db2.gz PXLGRXCUTTXRSC-FZMZJTMJSA-N 0 0 213.324 3.684 10 30 BHEERN CC(C)[C@H]1Cc2ccc([C@H](C)C#N)cc2C1 ZINC000584618698 358284756 /nfs/dbraw/zinc/28/47/56/358284756.db2.gz PXLGRXCUTTXRSC-RISCZKNCSA-N 0 0 213.324 3.684 10 30 BHEERN CC(C)[C@@H]1Cc2ccc([C@@H](C)C#N)cc2C1 ZINC000584618699 358284818 /nfs/dbraw/zinc/28/48/18/358284818.db2.gz PXLGRXCUTTXRSC-SMDDNHRTSA-N 0 0 213.324 3.684 10 30 BHEERN N#CCC1=C(c2ccccc2)c2ccccc2C1 ZINC000584618832 358284864 /nfs/dbraw/zinc/28/48/64/358284864.db2.gz XHWLZKOWYOXMSO-UHFFFAOYSA-N 0 0 231.298 3.958 10 30 BHEERN C(#Cc1ccccc1)C1=Cc2ccccc2C1 ZINC000584618866 358284790 /nfs/dbraw/zinc/28/47/90/358284790.db2.gz YVWBMSACAPKZPZ-UHFFFAOYSA-N 0 0 216.283 3.678 10 30 BHEERN C=CCn1cc(-c2ccncc2)c2ccccc21 ZINC000584618920 358285578 /nfs/dbraw/zinc/28/55/78/358285578.db2.gz ZVZCBGSXSJZHGR-UHFFFAOYSA-N 0 0 234.302 3.889 10 30 BHEERN C=C(CC(F)(F)F)c1ccc(OC)cc1 ZINC000584619795 358285979 /nfs/dbraw/zinc/28/59/79/358285979.db2.gz CHSJANLOTMMBKM-UHFFFAOYSA-N 0 0 216.202 3.661 10 30 BHEERN CC(C)[C@H]1C=Cc2ccccc2[C@@H]1CC#N ZINC000584620370 358287710 /nfs/dbraw/zinc/28/77/10/358287710.db2.gz AQAHGOKUBUMOEU-UKRRQHHQSA-N 0 0 211.308 3.983 10 30 BHEERN CC(C)[C@@H]1C=Cc2ccccc2[C@H]1CC#N ZINC000584620373 358287531 /nfs/dbraw/zinc/28/75/31/358287531.db2.gz AQAHGOKUBUMOEU-ZFWWWQNUSA-N 0 0 211.308 3.983 10 30 BHEERN C[C@H](CC=O)Cc1cccc2ccccc21 ZINC000584620422 358287548 /nfs/dbraw/zinc/28/75/48/358287548.db2.gz CYKBGULLOCTBDN-GFCCVEGCSA-N 0 0 212.292 3.607 10 30 BHEERN C[C@@H](CC=O)Cc1cccc2ccccc21 ZINC000584620424 358287552 /nfs/dbraw/zinc/28/75/52/358287552.db2.gz CYKBGULLOCTBDN-LBPRGKRZSA-N 0 0 212.292 3.607 10 30 BHEERN Cc1ccc2c(C)cc(C)c(CCC=O)c2c1 ZINC000584620773 358288217 /nfs/dbraw/zinc/28/82/17/358288217.db2.gz VLXNWCYZDFSRKG-UHFFFAOYSA-N 0 0 226.319 3.897 10 30 BHEERN C=C[C@]1(O)CCCc2cc(C(C)C)c(OC)cc21 ZINC000584620808 358287967 /nfs/dbraw/zinc/28/79/67/358287967.db2.gz XXQYLPLSQLAFJC-INIZCTEOSA-N 0 0 246.350 3.529 10 30 BHEERN C=C[C@@]1(O)CCCc2cc(C(C)C)c(OC)cc21 ZINC000584620809 358288052 /nfs/dbraw/zinc/28/80/52/358288052.db2.gz XXQYLPLSQLAFJC-MRXNPFEDSA-N 0 0 246.350 3.529 10 30 BHEERN C=C(C)Cc1cc(C(F)(F)F)ccc1C=O ZINC000584621305 358288563 /nfs/dbraw/zinc/28/85/63/358288563.db2.gz OPENORVIILPGPZ-UHFFFAOYSA-N 0 0 228.213 3.637 10 30 BHEERN N#CC(CC(F)(F)F)c1ccccc1Cl ZINC000584621374 358288434 /nfs/dbraw/zinc/28/84/34/358288434.db2.gz ZJPRYSJVLURCTR-SSDOTTSWSA-N 0 0 233.620 3.900 10 30 BHEERN N#CC(CC(F)(F)F)c1ccccc1Cl ZINC000584621375 358288644 /nfs/dbraw/zinc/28/86/44/358288644.db2.gz ZJPRYSJVLURCTR-ZETCQYMHSA-N 0 0 233.620 3.900 10 30 BHEERN N#C[C@@H](CC(F)(F)F)c1cccc(Cl)c1 ZINC000584621515 358289534 /nfs/dbraw/zinc/28/95/34/358289534.db2.gz QZHURNOBXGCTKZ-MRVPVSSYSA-N 0 0 233.620 3.900 10 30 BHEERN N#C[C@H](CC(F)(F)F)c1cccc(Cl)c1 ZINC000584621516 358289546 /nfs/dbraw/zinc/28/95/46/358289546.db2.gz QZHURNOBXGCTKZ-QMMMGPOBSA-N 0 0 233.620 3.900 10 30 BHEERN CC(C(=O)c1ccccc1)=C1SCCS1 ZINC000584621610 358289626 /nfs/dbraw/zinc/28/96/26/358289626.db2.gz CSVVJYICHHZEFD-UHFFFAOYSA-N 0 0 236.361 3.581 10 30 BHEERN O=C1C=C/C(=C2\CC[C@H]3CCCC[C@H]23)S1 ZINC000584623205 398079084 /nfs/dbraw/zinc/07/90/84/398079084.db2.gz JNPUSNMKKHXVLB-VYEBIXSXSA-N 0 0 220.337 3.670 10 30 BHEERN O=C1C=C/C(=C2/CC[C@H]3CCCC[C@H]23)S1 ZINC000584623215 398078970 /nfs/dbraw/zinc/07/89/70/398078970.db2.gz JNPUSNMKKHXVLB-WMFWPYABSA-N 0 0 220.337 3.670 10 30 BHEERN C=C(COC(=O)OCC)c1ccc(Cl)cc1 ZINC000584623318 398078965 /nfs/dbraw/zinc/07/89/65/398078965.db2.gz GZZNACZHOWYYJG-UHFFFAOYSA-N 0 0 240.686 3.526 10 30 BHEERN C[Si](C)(C)C#Cc1cc(Cl)nc(Cl)c1 ZINC000584623755 387502797 /nfs/dbraw/zinc/50/27/97/387502797.db2.gz NPGTWIPSUQWQMR-UHFFFAOYSA-N 0 0 244.197 3.617 10 30 BHEERN C=CC[C@H](/C=C/COC)c1cccs1 ZINC000584623992 358292042 /nfs/dbraw/zinc/29/20/42/358292042.db2.gz KVHUESSQDFEHLL-TZOMUSMUSA-N 0 0 208.326 3.610 10 30 BHEERN C=CC[C@@H](/C=C/COC)c1cccs1 ZINC000584623993 358291911 /nfs/dbraw/zinc/29/19/11/358291911.db2.gz KVHUESSQDFEHLL-ZPMKCOPCSA-N 0 0 208.326 3.610 10 30 BHEERN CC(C)CC1(CC(C)C)C=CC(=O)CC1 ZINC000584624652 358293108 /nfs/dbraw/zinc/29/31/08/358293108.db2.gz CAPMUTQHTNGVRJ-UHFFFAOYSA-N 0 0 208.345 3.984 10 30 BHEERN Clc1ccc(/C=N/N2CC3CCC2CC3)cc1 ZINC000584624881 398079689 /nfs/dbraw/zinc/07/96/89/398079689.db2.gz IKJOXUXNUHGHLZ-CXUHLZMHSA-N 0 0 248.757 3.548 10 30 BHEERN O=CCC1=Cc2cc(C(F)(F)F)ccc2CC1 ZINC000584626218 387504080 /nfs/dbraw/zinc/50/40/80/387504080.db2.gz VLPJJFGMAPVLOB-UHFFFAOYSA-N 0 0 240.224 3.624 10 30 BHEERN C=C(C)c1ccc2c(c1)nn(-c1ccccc1)c2N ZINC000584626244 387503648 /nfs/dbraw/zinc/50/36/48/387503648.db2.gz JNGJGTJKQVFUDG-UHFFFAOYSA-N 0 0 249.317 3.641 10 30 BHEERN C/C=C/C(=O)CCCc1cccc2[nH]ccc21 ZINC000584626721 358296257 /nfs/dbraw/zinc/29/62/57/358296257.db2.gz XTEPQSMUQJKLSJ-GORDUTHDSA-N 0 0 227.307 3.636 10 30 BHEERN COc1ccc2cc([C@H](C)CC=O)ccc2c1 ZINC000584626812 358296255 /nfs/dbraw/zinc/29/62/55/358296255.db2.gz QUDLHNDQURTSFC-LLVKDONJSA-N 0 0 228.291 3.541 10 30 BHEERN COc1ccc2cc([C@@H](C)CC=O)ccc2c1 ZINC000584626813 358296195 /nfs/dbraw/zinc/29/61/95/358296195.db2.gz QUDLHNDQURTSFC-NSHDSACASA-N 0 0 228.291 3.541 10 30 BHEERN C=CCOc1cc(O)c(Cl)c2ccccc12 ZINC000584626871 387504056 /nfs/dbraw/zinc/50/40/56/387504056.db2.gz FWCGXXPXFJWJEN-UHFFFAOYSA-N 0 0 234.682 3.764 10 30 BHEERN CCCCCCCCCC[C@@H]1CNC(=S)O1 ZINC000584627044 387503750 /nfs/dbraw/zinc/50/37/50/387503750.db2.gz GUPPPCOFGAAYJT-GFCCVEGCSA-N 0 0 243.416 3.791 10 30 BHEERN CCCCCCCCCC[C@H]1CNC(=S)O1 ZINC000584627047 358296661 /nfs/dbraw/zinc/29/66/61/358296661.db2.gz GUPPPCOFGAAYJT-LBPRGKRZSA-N 0 0 243.416 3.791 10 30 BHEERN COc1ccc(C(=O)C(C=O)C2CCCC2)cc1 ZINC000584627629 358297296 /nfs/dbraw/zinc/29/72/96/358297296.db2.gz CNXWONSPMWDVMN-GXDHUFHOSA-N 0 0 246.306 3.510 10 30 BHEERN C#CC(=O)c1cc2ccccc2c2ccccc12 ZINC000584628272 358297133 /nfs/dbraw/zinc/29/71/33/358297133.db2.gz IDWFWHVWGBJLAU-UHFFFAOYSA-N 0 0 230.266 3.809 10 30 BHEERN N#Cc1cc(-c2ccc(C(F)F)cc2)c(F)cn1 ZINC000584628545 358297739 /nfs/dbraw/zinc/29/77/39/358297739.db2.gz LRWYUGRMYZJQLR-UHFFFAOYSA-N 0 0 248.207 3.697 10 30 BHEERN N#C[C@@H](CC1CCCCC1)c1ccccn1 ZINC000584628665 358297918 /nfs/dbraw/zinc/29/79/18/358297918.db2.gz MRRRPRKUTQQFRZ-CYBMUJFWSA-N 0 0 214.312 3.659 10 30 BHEERN N#C[C@H](CC1CCCCC1)c1ccccn1 ZINC000584628666 358298092 /nfs/dbraw/zinc/29/80/92/358298092.db2.gz MRRRPRKUTQQFRZ-ZDUSSCGKSA-N 0 0 214.312 3.659 10 30 BHEERN CCS/C(=C/C(=O)c1cccs1)SC ZINC000584629752 358299152 /nfs/dbraw/zinc/29/91/52/358299152.db2.gz ROICZNXGTAKRKD-JXMROGBWSA-N 0 0 244.406 3.888 10 30 BHEERN N#Cc1ccc2sc(=S)sc2c1 ZINC000584630306 358299589 /nfs/dbraw/zinc/29/95/89/358299589.db2.gz VNWGWRIVEZAYBH-UHFFFAOYSA-N 0 0 209.320 3.564 10 30 BHEERN C=C(OP(=O)(OCC)OCC)C(C)(C)C ZINC000584630617 358300020 /nfs/dbraw/zinc/30/00/20/358300020.db2.gz FFAYWMYNSRMHSC-UHFFFAOYSA-N 0 0 236.248 3.744 10 30 BHEERN COc1ccc(C2=C[C@H](C)[C@H](C#N)CC2)cc1 ZINC000584631240 358282905 /nfs/dbraw/zinc/28/29/05/358282905.db2.gz FPEMARJELPSGMB-FZMZJTMJSA-N 0 0 227.307 3.648 10 30 BHEERN C#CCSc1nc2ccccc2cc1Cl ZINC000584631353 358288263 /nfs/dbraw/zinc/28/82/63/358288263.db2.gz NUGLVGWVAXDAIK-UHFFFAOYSA-N 0 0 233.723 3.614 10 30 BHEERN COc1ccc(C2=CC[C@@H](C#N)[C@@H](C)C2)cc1 ZINC000584631382 358294857 /nfs/dbraw/zinc/29/48/57/358294857.db2.gz PBAYRGAWWVVVOZ-FZMZJTMJSA-N 0 0 227.307 3.648 10 30 BHEERN O=C[C@@]1(C=C=C2CCCCC2)CC=CCC1 ZINC000584631388 387503635 /nfs/dbraw/zinc/50/36/35/387503635.db2.gz PJCXMIPQVTXVBI-HNNXBMFYSA-N 0 0 216.324 3.957 10 30 BHEERN O=C[C@]1(C=C=C2CCCCC2)CC=CCC1 ZINC000584631390 358296223 /nfs/dbraw/zinc/29/62/23/358296223.db2.gz PJCXMIPQVTXVBI-OAHLLOKOSA-N 0 0 216.324 3.957 10 30 BHEERN Cc1cc(C#N)ccc1C(F)(F)C(F)(F)F ZINC000584631517 358313416 /nfs/dbraw/zinc/31/34/16/358313416.db2.gz BWVIXLMLQLDMSN-UHFFFAOYSA-N 0 0 235.155 3.521 10 30 BHEERN C=C[C@@](CC#N)(c1ccccc1)C(F)(F)F ZINC000584631747 358314024 /nfs/dbraw/zinc/31/40/24/358314024.db2.gz SMMOILAVCMXLCA-LLVKDONJSA-N 0 0 225.213 3.586 10 30 BHEERN C=C[C@](CC#N)(c1ccccc1)C(F)(F)F ZINC000584631748 358314115 /nfs/dbraw/zinc/31/41/15/358314115.db2.gz SMMOILAVCMXLCA-NSHDSACASA-N 0 0 225.213 3.586 10 30 BHEERN N#CCc1cc2ccccc2c(-c2ccccc2)n1 ZINC000584632293 358314913 /nfs/dbraw/zinc/31/49/13/358314913.db2.gz RCUUOCOZWYZKPB-UHFFFAOYSA-N 0 0 244.297 3.968 10 30 BHEERN C#Cc1c2ccccc2sc1SC ZINC000584632510 358315719 /nfs/dbraw/zinc/31/57/19/358315719.db2.gz VWYYNEQERXIIHE-UHFFFAOYSA-N 0 0 204.319 3.605 10 30 BHEERN CCCCCCC(C)(C)c1ccc(C#N)c(=O)[nH]1 ZINC000584632987 358316160 /nfs/dbraw/zinc/31/61/60/358316160.db2.gz PWQXRMIQKVNSMZ-UHFFFAOYSA-N 0 0 246.354 3.907 10 30 BHEERN C=C[C@@H](COCC(=C)Cl)C(C)(C)C ZINC000584633496 358317010 /nfs/dbraw/zinc/31/70/10/358317010.db2.gz RYBFBAUGEGJDPV-JTQLQIEISA-N 0 0 202.725 3.604 10 30 BHEERN C=C[C@H](COCC(=C)Cl)C(C)(C)C ZINC000584633497 358317063 /nfs/dbraw/zinc/31/70/63/358317063.db2.gz RYBFBAUGEGJDPV-SNVBAGLBSA-N 0 0 202.725 3.604 10 30 BHEERN Cc1ccc(/N=C/c2ccc(Cl)cc2)cn1 ZINC000584633557 358317587 /nfs/dbraw/zinc/31/75/87/358317587.db2.gz SHCSNMGYLBWXNR-LZYBPNLTSA-N 0 0 230.698 3.794 10 30 BHEERN C/C(=C\C(=O)c1ccc(F)cc1)C(F)(F)F ZINC000584634415 358318276 /nfs/dbraw/zinc/31/82/76/358318276.db2.gz CBAQWRDUCGFYOS-VOTSOKGWSA-N 0 0 232.176 3.517 10 30 BHEERN Cc1ccccc1[C@@H](C#N)CC(F)(F)F ZINC000584634459 358318300 /nfs/dbraw/zinc/31/83/00/358318300.db2.gz FWTHUMXLYNEJDT-SECBINFHSA-N 0 0 213.202 3.555 10 30 BHEERN Cc1ccccc1[C@H](C#N)CC(F)(F)F ZINC000584634461 358318293 /nfs/dbraw/zinc/31/82/93/358318293.db2.gz FWTHUMXLYNEJDT-VIFPVBQESA-N 0 0 213.202 3.555 10 30 BHEERN N#Cc1ccc(-c2cc(Cl)cs2)cc1 ZINC000584634531 358318325 /nfs/dbraw/zinc/31/83/25/358318325.db2.gz KNUBMGSLDOWWQN-UHFFFAOYSA-N 0 0 219.696 3.940 10 30 BHEERN Cc1cccc([C@H](C#N)CC(F)(F)F)c1 ZINC000584634707 358318847 /nfs/dbraw/zinc/31/88/47/358318847.db2.gz WKSCZBWTTNQVRR-JTQLQIEISA-N 0 0 213.202 3.555 10 30 BHEERN Cc1cccc([C@@H](C#N)CC(F)(F)F)c1 ZINC000584634708 358318865 /nfs/dbraw/zinc/31/88/65/358318865.db2.gz WKSCZBWTTNQVRR-SNVBAGLBSA-N 0 0 213.202 3.555 10 30 BHEERN Cc1ccc([C@H](C#N)CC(F)(F)F)cc1 ZINC000584634709 358318947 /nfs/dbraw/zinc/31/89/47/358318947.db2.gz WPQGJEXBCIPBFW-JTQLQIEISA-N 0 0 213.202 3.555 10 30 BHEERN Cc1ccc([C@@H](C#N)CC(F)(F)F)cc1 ZINC000584634710 358318911 /nfs/dbraw/zinc/31/89/11/358318911.db2.gz WPQGJEXBCIPBFW-SNVBAGLBSA-N 0 0 213.202 3.555 10 30 BHEERN C/C(=C\C(=O)c1ccc(C)cc1)C(F)(F)F ZINC000584634712 358318908 /nfs/dbraw/zinc/31/89/08/358318908.db2.gz XISWFCZPJZIYAG-VQHVLOKHSA-N 0 0 228.213 3.686 10 30 BHEERN CC(=O)C=C(C)Nc1ccccc1C(F)(F)F ZINC000584635048 387506605 /nfs/dbraw/zinc/50/66/05/387506605.db2.gz JUKBXYLYIQEDJM-BQYQJAHWSA-N 0 0 243.228 3.610 10 30 BHEERN N#CCc1cnc(-c2ccccc2)c2ccccc12 ZINC000584636216 358320603 /nfs/dbraw/zinc/32/06/03/358320603.db2.gz XTCPSDGDBWJZSF-UHFFFAOYSA-N 0 0 244.297 3.968 10 30 BHEERN C=CC[C@H](C/C=C/c1ccccc1)C(=O)OCC ZINC000584636420 358320969 /nfs/dbraw/zinc/32/09/69/358320969.db2.gz DFGBVCWSVFDIDA-INDWDQIESA-N 0 0 244.334 3.845 10 30 BHEERN C=CC[C@@H](C/C=C/c1ccccc1)C(=O)OCC ZINC000584636421 358321036 /nfs/dbraw/zinc/32/10/36/358321036.db2.gz DFGBVCWSVFDIDA-JQVXPOPVSA-N 0 0 244.334 3.845 10 30 BHEERN C=CC[C@H](C(=O)c1cccnc1)c1ccccc1 ZINC000584636514 358320960 /nfs/dbraw/zinc/32/09/60/358320960.db2.gz YIPWZKCJWVFVOB-HNNXBMFYSA-N 0 0 237.302 3.624 10 30 BHEERN C=CC[C@@H](C(=O)c1cccnc1)c1ccccc1 ZINC000584636515 358320942 /nfs/dbraw/zinc/32/09/42/358320942.db2.gz YIPWZKCJWVFVOB-OAHLLOKOSA-N 0 0 237.302 3.624 10 30 BHEERN C=C1c2ccccc2CCc2cccc(CC#N)c21 ZINC000584638095 358323472 /nfs/dbraw/zinc/32/34/72/358323472.db2.gz QDIMYBBDKHAKHA-UHFFFAOYSA-N 0 0 245.325 3.913 10 30 BHEERN CC1(C#N)c2ccccc2CCc2ccccc21 ZINC000584638852 358324459 /nfs/dbraw/zinc/32/44/59/358324459.db2.gz LJXRNFMEFDIUAZ-UHFFFAOYSA-N 0 0 233.314 3.615 10 30 BHEERN C#CCSc1ccnc2ccc(Cl)cc21 ZINC000584639638 398083945 /nfs/dbraw/zinc/08/39/45/398083945.db2.gz AEDSVFWFFFSQQC-UHFFFAOYSA-N 0 0 233.723 3.614 10 30 BHEERN C#CCSc1ccc2cc(Cl)ccc2n1 ZINC000584639714 358325539 /nfs/dbraw/zinc/32/55/39/358325539.db2.gz ZSOHHIAKOCWCFY-UHFFFAOYSA-N 0 0 233.723 3.614 10 30 BHEERN N#Cc1ccc2c(c1)sc1cc(O)ccc12 ZINC000584640168 358326517 /nfs/dbraw/zinc/32/65/17/358326517.db2.gz DNXPXGKZVOJDTG-UHFFFAOYSA-N 0 0 225.272 3.632 10 30 BHEERN CC(C)Oc1cc2c(Cl)ccnc2cc1C#N ZINC000584640452 358326853 /nfs/dbraw/zinc/32/68/53/358326853.db2.gz JZGYPIQSXGOEQY-UHFFFAOYSA-N 0 0 246.697 3.547 10 30 BHEERN Cc1ccc(C(C)(C)C#N)cc1C(F)(F)F ZINC000584642110 358327839 /nfs/dbraw/zinc/32/78/39/358327839.db2.gz GBWDIWIUSJPNFS-UHFFFAOYSA-N 0 0 227.229 3.815 10 30 BHEERN CC[C@H](C)[C@](C#N)(CCC#N)c1ccccc1 ZINC000584642393 358327885 /nfs/dbraw/zinc/32/78/85/358327885.db2.gz NXGNJGRNPQLUEO-DZGCQCFKSA-N 0 0 226.323 3.798 10 30 BHEERN CC[C@@H](C)[C@](C#N)(CCC#N)c1ccccc1 ZINC000584642396 358327800 /nfs/dbraw/zinc/32/78/00/358327800.db2.gz NXGNJGRNPQLUEO-UKRRQHHQSA-N 0 0 226.323 3.798 10 30 BHEERN CC(F)(F)C(=O)/C=C/C1CCC(F)(F)CC1 ZINC000584643856 358329384 /nfs/dbraw/zinc/32/93/84/358329384.db2.gz FCQWDLCXTOXBLF-NSCUHMNNSA-N 0 0 238.224 3.592 10 30 BHEERN CC(C)C(=O)/C=C/C1CCC(F)(F)CC1 ZINC000584644055 358329494 /nfs/dbraw/zinc/32/94/94/358329494.db2.gz MAFXJPJZGLGWOZ-ONEGZZNKSA-N 0 0 216.271 3.593 10 30 BHEERN C=C[C@H](C)SC(=O)N(C)c1ccccc1 ZINC000584644281 358329417 /nfs/dbraw/zinc/32/94/17/358329417.db2.gz CNWPEJIWUOCPNZ-JTQLQIEISA-N 0 0 221.325 3.551 10 30 BHEERN CC1(C)C[C@@H](c2ccc(C#N)cc2Cl)CC1=O ZINC000584644566 358329694 /nfs/dbraw/zinc/32/96/94/358329694.db2.gz CFQBKMFHPWMVMA-JTQLQIEISA-N 0 0 247.725 3.684 10 30 BHEERN CC1(C)C[C@H](c2ccc(C#N)cc2Cl)CC1=O ZINC000584644567 358329680 /nfs/dbraw/zinc/32/96/80/358329680.db2.gz CFQBKMFHPWMVMA-SNVBAGLBSA-N 0 0 247.725 3.684 10 30 BHEERN N#Cc1ccc2c(c1)Oc1ccccc1S2 ZINC000584645548 358330785 /nfs/dbraw/zinc/33/07/85/358330785.db2.gz AGOPCVLAWJDOTR-UHFFFAOYSA-N 0 0 225.272 3.815 10 30 BHEERN N#Cc1cccc2c1Sc1ccccc1O2 ZINC000584645591 358330797 /nfs/dbraw/zinc/33/07/97/358330797.db2.gz IZMRJDOIOJKNQJ-UHFFFAOYSA-N 0 0 225.272 3.815 10 30 BHEERN C=C[C@H](C)SC(=O)N(C)c1cccc(F)c1 ZINC000584646810 358331530 /nfs/dbraw/zinc/33/15/30/358331530.db2.gz MGALWQKAGBEYND-VIFPVBQESA-N 0 0 239.315 3.690 10 30 BHEERN CCCCN(C)C(=O)CCCCCCCS ZINC000584647071 358331784 /nfs/dbraw/zinc/33/17/84/358331784.db2.gz XPKCTUTTXZYAPR-UHFFFAOYSA-N 0 0 245.432 3.515 10 30 BHEERN C#C[C@@](C)(CCC[C@@H](C)CCC)OC(C)=O ZINC000584647119 358331606 /nfs/dbraw/zinc/33/16/06/358331606.db2.gz IFWCTYIBHHRVPF-JSGCOSHPSA-N 0 0 224.344 3.548 10 30 BHEERN C#C[C@@](C)(CCC[C@H](C)CCC)OC(C)=O ZINC000584647126 358331701 /nfs/dbraw/zinc/33/17/01/358331701.db2.gz IFWCTYIBHHRVPF-OCCSQVGLSA-N 0 0 224.344 3.548 10 30 BHEERN N#C[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1 ZINC000584647466 358301816 /nfs/dbraw/zinc/30/18/16/358301816.db2.gz VMVMZEVWJUIBPU-JTQLQIEISA-N 0 0 240.228 3.508 10 30 BHEERN N#C[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1 ZINC000584647467 358301856 /nfs/dbraw/zinc/30/18/56/358301856.db2.gz VMVMZEVWJUIBPU-SNVBAGLBSA-N 0 0 240.228 3.508 10 30 BHEERN N#Cc1nccc2sc(CCC3CC3)cc21 ZINC000584648674 358303158 /nfs/dbraw/zinc/30/31/58/358303158.db2.gz KRGYWOQMQHYZFM-UHFFFAOYSA-N 0 0 228.320 3.511 10 30 BHEERN N#CCCC1(CC#N)C2CC3CC(C2)CC1C3 ZINC000584650367 358305065 /nfs/dbraw/zinc/30/50/65/358305065.db2.gz JXJKUVLVRWDJDM-UHFFFAOYSA-N 0 0 228.339 3.646 10 30 BHEERN CC(=NNc1ccccc1)c1ccsc1 ZINC000584651436 358306290 /nfs/dbraw/zinc/30/62/90/358306290.db2.gz OMORZIVBHHIADU-JLHYYAGUSA-N 0 0 216.309 3.584 10 30 BHEERN C=C1c2ccccc2CC[C@]1(C)c1cccnc1 ZINC000584652089 358307229 /nfs/dbraw/zinc/30/72/29/358307229.db2.gz HDPITLSTRHFGRL-KRWDZBQOSA-N 0 0 235.330 3.999 10 30 BHEERN C=C1c2ccccc2CC[C@@]1(C)c1cccnc1 ZINC000584652090 358306786 /nfs/dbraw/zinc/30/67/86/358306786.db2.gz HDPITLSTRHFGRL-QGZVFWFLSA-N 0 0 235.330 3.999 10 30 BHEERN CCCCc1ccc(C#C[Si](C)(C)C)nc1 ZINC000584652091 358306932 /nfs/dbraw/zinc/30/69/32/358306932.db2.gz HFANDSNMKFAGOV-UHFFFAOYSA-N 0 0 231.415 3.653 10 30 BHEERN C=C(C)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000584652554 358307577 /nfs/dbraw/zinc/30/75/77/358307577.db2.gz PUMAXGAJHSWELM-CSKARUKUSA-N 0 0 203.241 3.574 10 30 BHEERN CC(C)(C#C/C=C/Cl)C#C/C=C/Cl ZINC000584657046 358308593 /nfs/dbraw/zinc/30/85/93/358308593.db2.gz WJAIKFLFAIJFSP-NXZHAISVSA-N 0 0 213.107 3.524 10 30 BHEERN C=CC[C@@]1(SC)CCCCCCCO1 ZINC000584659514 387505803 /nfs/dbraw/zinc/50/58/03/387505803.db2.gz MRQWVHQLRLIFMX-GFCCVEGCSA-N 0 0 214.374 3.993 10 30 BHEERN C=CC[C@]1(SC)CCCCCCCO1 ZINC000584659517 387505857 /nfs/dbraw/zinc/50/58/57/387505857.db2.gz MRQWVHQLRLIFMX-LBPRGKRZSA-N 0 0 214.374 3.993 10 30 BHEERN Clc1ccc(C#CBr)cc1Cl ZINC000584660916 358311932 /nfs/dbraw/zinc/31/19/32/358311932.db2.gz VMHOUWORCBKBAW-UHFFFAOYSA-N 0 0 249.922 3.697 10 30 BHEERN C[C@H]1C[C@H](OCCCCCC=O)CC(C)(C)C1 ZINC000584907159 491126177 /nfs/dbraw/zinc/12/61/77/491126177.db2.gz WYBYVBQJCHKSCH-KBPBESRZSA-N 0 0 240.387 3.977 10 30 BHEERN C[C@@H]1C[C@H](OCCCCCC=O)CC(C)(C)C1 ZINC000584907160 491126185 /nfs/dbraw/zinc/12/61/85/491126185.db2.gz WYBYVBQJCHKSCH-KGLIPLIRSA-N 0 0 240.387 3.977 10 30 BHEERN C[C@H]1C[C@@H](OCCCCCC=O)CC(C)(C)C1 ZINC000584907161 491126170 /nfs/dbraw/zinc/12/61/70/491126170.db2.gz WYBYVBQJCHKSCH-UONOGXRCSA-N 0 0 240.387 3.977 10 30 BHEERN C[C@@H]1C[C@@H](OCCCCCC=O)CC(C)(C)C1 ZINC000584907162 491126179 /nfs/dbraw/zinc/12/61/79/491126179.db2.gz WYBYVBQJCHKSCH-ZIAGYGMSSA-N 0 0 240.387 3.977 10 30 BHEERN Cc1coc2c1C(=O)C=C(C)CC/C=C(/C)C2 ZINC000585660569 345637707 /nfs/dbraw/zinc/63/77/07/345637707.db2.gz XVOHELPNOXGRBQ-WNIYMDTRSA-N 0 0 230.307 4.000 10 30 BHEERN Cc1ccc(/C=C\C(=O)c2ccccc2C)o1 ZINC000606208300 372081976 /nfs/dbraw/zinc/08/19/76/372081976.db2.gz NNPQPOZYHVLFCI-KTKRTIGZSA-N 0 0 226.275 3.793 10 30 BHEERN C#Cc1ccc(Oc2ccccc2C(C)C)nc1 ZINC000606302094 351553779 /nfs/dbraw/zinc/55/37/79/351553779.db2.gz BDFLYDXFVOISME-UHFFFAOYSA-N 0 0 237.302 3.979 10 30 BHEERN C#Cc1ccc(Oc2ccc(C(C)C)cc2)nc1 ZINC000606302115 351553574 /nfs/dbraw/zinc/55/35/74/351553574.db2.gz CHYHBEYEJSNJIX-UHFFFAOYSA-N 0 0 237.302 3.979 10 30 BHEERN N#CC1CC(Cc2ccc3c(c2)CCCC3)C1 ZINC000606302160 351555746 /nfs/dbraw/zinc/55/57/46/351555746.db2.gz FLPKNPWDOLKYPE-UHFFFAOYSA-N 0 0 225.335 3.658 10 30 BHEERN CC(C)(C)c1ccc(CC2CC(C=O)C2)cc1 ZINC000606302338 351554604 /nfs/dbraw/zinc/55/46/04/351554604.db2.gz LNSPVPWPOCZJRP-UHFFFAOYSA-N 0 0 230.351 3.752 10 30 BHEERN CC(C)c1ccc(CC2CC(C=O)C2)cc1 ZINC000606302530 351553582 /nfs/dbraw/zinc/55/35/82/351553582.db2.gz ONKIEBREQNSBEJ-UHFFFAOYSA-N 0 0 216.324 3.578 10 30 BHEERN CC(C)c1ccc(CC2CC(C#N)C2)cc1 ZINC000606302802 351556568 /nfs/dbraw/zinc/55/65/68/351556568.db2.gz XKJQHVQYEWDVJY-UHFFFAOYSA-N 0 0 213.324 3.902 10 30 BHEERN Cc1ccsc1[C@H](C=O)c1ccccc1C ZINC000616216409 369062122 /nfs/dbraw/zinc/06/21/22/369062122.db2.gz AHYLZJIJQSUJOZ-CYBMUJFWSA-N 0 0 230.332 3.696 10 30 BHEERN Cc1ccsc1[C@@H](C=O)c1ccccc1C ZINC000616216414 369062634 /nfs/dbraw/zinc/06/26/34/369062634.db2.gz AHYLZJIJQSUJOZ-ZDUSSCGKSA-N 0 0 230.332 3.696 10 30 BHEERN C=CCC[C@H](O)c1ccc(N(CC)CC)cc1 ZINC000616568891 347473818 /nfs/dbraw/zinc/47/38/18/347473818.db2.gz DYZHTJCASAPZLW-HNNXBMFYSA-N 0 0 233.355 3.532 10 30 BHEERN C=CCC[C@@H](O)c1ccc(N(CC)CC)cc1 ZINC000616568900 347473545 /nfs/dbraw/zinc/47/35/45/347473545.db2.gz DYZHTJCASAPZLW-OAHLLOKOSA-N 0 0 233.355 3.532 10 30 BHEERN C[C@@H](C=O)Sc1cc(Cl)ccc1Cl ZINC000616570284 348014964 /nfs/dbraw/zinc/01/49/64/348014964.db2.gz BBYXJEZFNTZTSD-LURJTMIESA-N 0 0 235.135 3.673 10 30 BHEERN C[C@H](C=O)Sc1cc(Cl)ccc1Cl ZINC000616570294 348015347 /nfs/dbraw/zinc/01/53/47/348015347.db2.gz BBYXJEZFNTZTSD-ZCFIWIBFSA-N 0 0 235.135 3.673 10 30 BHEERN C[C@@H](C=O)Sc1ccc(Cl)cc1Cl ZINC000616572472 344184155 /nfs/dbraw/zinc/18/41/55/344184155.db2.gz MBKWQPYRMGMOEA-LURJTMIESA-N 0 0 235.135 3.673 10 30 BHEERN C[C@H](C=O)Sc1ccc(Cl)cc1Cl ZINC000616572476 349065679 /nfs/dbraw/zinc/06/56/79/349065679.db2.gz MBKWQPYRMGMOEA-ZCFIWIBFSA-N 0 0 235.135 3.673 10 30 BHEERN C[C@@H](C=O)Sc1ccc(Cl)c(Cl)c1 ZINC000616573396 349070128 /nfs/dbraw/zinc/07/01/28/349070128.db2.gz RRZAPHHKLQYYHP-LURJTMIESA-N 0 0 235.135 3.673 10 30 BHEERN C[C@H](C=O)Sc1ccc(Cl)c(Cl)c1 ZINC000616573398 349069887 /nfs/dbraw/zinc/06/98/87/349069887.db2.gz RRZAPHHKLQYYHP-ZCFIWIBFSA-N 0 0 235.135 3.673 10 30 BHEERN C[C@@H](C=O)Sc1cc(Cl)cc(Cl)c1 ZINC000616573706 349072507 /nfs/dbraw/zinc/07/25/07/349072507.db2.gz TXYFJTVQODLSAE-LURJTMIESA-N 0 0 235.135 3.673 10 30 BHEERN C[C@H](C=O)Sc1cc(Cl)cc(Cl)c1 ZINC000616573712 349072261 /nfs/dbraw/zinc/07/22/61/349072261.db2.gz TXYFJTVQODLSAE-ZCFIWIBFSA-N 0 0 235.135 3.673 10 30 BHEERN C[C@@H](C=O)Sc1ccc(C(C)(C)C)cc1 ZINC000616573939 344185731 /nfs/dbraw/zinc/18/57/31/344185731.db2.gz VSFTZPIWANGQRF-JTQLQIEISA-N 0 0 222.353 3.664 10 30 BHEERN C[C@H](C=O)Sc1ccc(C(C)(C)C)cc1 ZINC000616573949 344185809 /nfs/dbraw/zinc/18/58/09/344185809.db2.gz VSFTZPIWANGQRF-SNVBAGLBSA-N 0 0 222.353 3.664 10 30 BHEERN C[C@@H](C=O)Sc1ccc2ccccc2c1 ZINC000616574169 349076370 /nfs/dbraw/zinc/07/63/70/349076370.db2.gz XSNMFJAWVJKLIU-JTQLQIEISA-N 0 0 216.305 3.519 10 30 BHEERN C[C@H](C=O)Sc1ccc2ccccc2c1 ZINC000616574174 349076261 /nfs/dbraw/zinc/07/62/61/349076261.db2.gz XSNMFJAWVJKLIU-SNVBAGLBSA-N 0 0 216.305 3.519 10 30 BHEERN N#Cc1ccc2cc(C3(Cl)CCC3)[nH]c2c1 ZINC000616574857 349082061 /nfs/dbraw/zinc/08/20/61/349082061.db2.gz ZFLCGPAIQYKOPN-UHFFFAOYSA-N 0 0 230.698 3.658 10 30 BHEERN CCCCCCC#CCC1(O)CCCC1 ZINC000616581540 349264282 /nfs/dbraw/zinc/26/42/82/349264282.db2.gz YXIUYJVTWYEQOD-UHFFFAOYSA-N 0 0 208.345 3.655 10 30 BHEERN C=C(C)C(=O)O[C@@H]1C[C@@]2(C)CC[C@]1(C)C2(C)C ZINC000616581768 369096984 /nfs/dbraw/zinc/09/69/84/369096984.db2.gz BIZOFFKFTONUOU-DFBGVHRSSA-N 0 0 236.355 3.711 10 30 BHEERN C=C(C)C(=O)O[C@H]1C[C@@]2(C)CC[C@]1(C)C2(C)C ZINC000616581770 349284949 /nfs/dbraw/zinc/28/49/49/349284949.db2.gz BIZOFFKFTONUOU-GLQYFDAESA-N 0 0 236.355 3.711 10 30 BHEERN N#Cc1cccc([C@H]2CCNc3ccccc32)c1 ZINC000616586616 349400041 /nfs/dbraw/zinc/40/00/41/349400041.db2.gz DSGHURZWHWBLTB-CQSZACIVSA-N 0 0 234.302 3.506 10 30 BHEERN N#Cc1ccccc1[C@H]1CCNc2ccccc21 ZINC000616586980 349415578 /nfs/dbraw/zinc/41/55/78/349415578.db2.gz FRGYFLQIRCJZGB-CQSZACIVSA-N 0 0 234.302 3.506 10 30 BHEERN N#Cc1ccc([C@H]2CCNc3ccccc32)cc1 ZINC000616589502 349570001 /nfs/dbraw/zinc/57/00/01/349570001.db2.gz PRZJWMNIBMVUBU-CQSZACIVSA-N 0 0 234.302 3.506 10 30 BHEERN CN1CC[C@H](c2ccc(C#N)cc2)c2ccccc21 ZINC000616590834 350019118 /nfs/dbraw/zinc/01/91/18/350019118.db2.gz UKFMUKGMJDKWCC-OAHLLOKOSA-N 0 0 248.329 3.530 10 30 BHEERN CN1CC[C@H](c2cccc(C#N)c2)c2ccccc21 ZINC000616591085 350071089 /nfs/dbraw/zinc/07/10/89/350071089.db2.gz WYIWATMQGNILSB-OAHLLOKOSA-N 0 0 248.329 3.530 10 30 BHEERN CN1CC[C@H](c2ccccc2C#N)c2ccccc21 ZINC000616591138 350074687 /nfs/dbraw/zinc/07/46/87/350074687.db2.gz YOQUAQLBTOATLG-OAHLLOKOSA-N 0 0 248.329 3.530 10 30 BHEERN CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccccc1C#N ZINC000616615378 398174643 /nfs/dbraw/zinc/17/46/43/398174643.db2.gz HYZYAXJHCQPEOI-HNNXBMFYSA-N 0 0 242.366 3.884 10 30 BHEERN N#Cc1cccc([C@@H]2CCc3ccccc3N2)c1 ZINC000616665907 351223450 /nfs/dbraw/zinc/22/34/50/351223450.db2.gz CDNJIRLEVISZHK-INIZCTEOSA-N 0 0 234.302 3.658 10 30 BHEERN N#Cc1ccc([C@@H]2CCc3ccccc3N2)cc1 ZINC000616666623 351226529 /nfs/dbraw/zinc/22/65/29/351226529.db2.gz NSLVCJSYYQYWIH-INIZCTEOSA-N 0 0 234.302 3.658 10 30 BHEERN CN1c2ccccc2CC[C@@H]1c1cccc(C#N)c1 ZINC000616667899 351224773 /nfs/dbraw/zinc/22/47/73/351224773.db2.gz PZHAPROSKPNAFX-QGZVFWFLSA-N 0 0 248.329 3.682 10 30 BHEERN N#Cc1cccc([C@H]2CCc3ccccc3N2)c1 ZINC000616668006 351225812 /nfs/dbraw/zinc/22/58/12/351225812.db2.gz CDNJIRLEVISZHK-MRXNPFEDSA-N 0 0 234.302 3.658 10 30 BHEERN CN1c2ccccc2CC[C@@H]1c1ccc(C#N)cc1 ZINC000616668388 351230612 /nfs/dbraw/zinc/23/06/12/351230612.db2.gz VEFGGJYSBVSZRF-QGZVFWFLSA-N 0 0 248.329 3.682 10 30 BHEERN CN1c2ccccc2CC[C@@H]1c1ccccc1C#N ZINC000616668449 351230321 /nfs/dbraw/zinc/23/03/21/351230321.db2.gz VSYWQKOWBZWNRG-QGZVFWFLSA-N 0 0 248.329 3.682 10 30 BHEERN N#Cc1ccc([C@H]2CCc3ccccc3N2)cc1 ZINC000616669351 351228705 /nfs/dbraw/zinc/22/87/05/351228705.db2.gz NSLVCJSYYQYWIH-MRXNPFEDSA-N 0 0 234.302 3.658 10 30 BHEERN CN1c2ccccc2CC[C@H]1c1cccc(C#N)c1 ZINC000616670477 351233248 /nfs/dbraw/zinc/23/32/48/351233248.db2.gz PZHAPROSKPNAFX-KRWDZBQOSA-N 0 0 248.329 3.682 10 30 BHEERN CN1c2ccccc2CC[C@H]1c1ccc(C#N)cc1 ZINC000616671392 351230294 /nfs/dbraw/zinc/23/02/94/351230294.db2.gz VEFGGJYSBVSZRF-KRWDZBQOSA-N 0 0 248.329 3.682 10 30 BHEERN CN1c2ccccc2CC[C@H]1c1ccccc1C#N ZINC000616671448 351234614 /nfs/dbraw/zinc/23/46/14/351234614.db2.gz VSYWQKOWBZWNRG-KRWDZBQOSA-N 0 0 248.329 3.682 10 30 BHEERN CN1CC[C@@H](c2ccc(C#N)cc2)c2ccccc21 ZINC000616673256 351240164 /nfs/dbraw/zinc/24/01/64/351240164.db2.gz UKFMUKGMJDKWCC-HNNXBMFYSA-N 0 0 248.329 3.530 10 30 BHEERN CN1CC[C@@H](c2cccc(C#N)c2)c2ccccc21 ZINC000616673299 351240299 /nfs/dbraw/zinc/24/02/99/351240299.db2.gz WYIWATMQGNILSB-HNNXBMFYSA-N 0 0 248.329 3.530 10 30 BHEERN CN1CC[C@@H](c2ccccc2C#N)c2ccccc21 ZINC000616673625 351237270 /nfs/dbraw/zinc/23/72/70/351237270.db2.gz YOQUAQLBTOATLG-HNNXBMFYSA-N 0 0 248.329 3.530 10 30 BHEERN N#Cc1cccc([C@@H]2CCNc3ccccc32)c1 ZINC000616674505 351238738 /nfs/dbraw/zinc/23/87/38/351238738.db2.gz DSGHURZWHWBLTB-AWEZNQCLSA-N 0 0 234.302 3.506 10 30 BHEERN N#Cc1ccccc1[C@@H]1CCNc2ccccc21 ZINC000616674534 351239473 /nfs/dbraw/zinc/23/94/73/351239473.db2.gz FRGYFLQIRCJZGB-AWEZNQCLSA-N 0 0 234.302 3.506 10 30 BHEERN N#Cc1ccc([C@@H]2CCNc3ccccc32)cc1 ZINC000616676048 351240819 /nfs/dbraw/zinc/24/08/19/351240819.db2.gz PRZJWMNIBMVUBU-AWEZNQCLSA-N 0 0 234.302 3.506 10 30 BHEERN C=CCc1ccc(Cl)c(Cl)c1F ZINC000667946060 541433672 /nfs/dbraw/zinc/43/36/72/541433672.db2.gz JLYGHHHNMVJKTM-UHFFFAOYSA-N 0 0 205.059 3.861 10 30 BHEERN C=CCc1ccccc1CC(F)(F)F ZINC000667947690 537893371 /nfs/dbraw/zinc/89/33/71/537893371.db2.gz PPXJJIHVXVGAPD-UHFFFAOYSA-N 0 0 200.203 3.520 10 30 BHEERN Cc1nc(C#N)sc1-c1cccc(Cl)c1 ZINC000669380008 537988157 /nfs/dbraw/zinc/98/81/57/537988157.db2.gz JIHICXKWXSZQLT-UHFFFAOYSA-N 0 0 234.711 3.644 10 30 BHEERN Cc1nc(C#N)sc1-c1ccc(Cl)cc1 ZINC000669381017 537993071 /nfs/dbraw/zinc/99/30/71/537993071.db2.gz VUCAUUBITRIBKE-UHFFFAOYSA-N 0 0 234.711 3.644 10 30 BHEERN C=CCc1cccc(Br)c1Cl ZINC000669382652 538002051 /nfs/dbraw/zinc/00/20/51/538002051.db2.gz JTFYJCGEQIOCSA-UHFFFAOYSA-N 0 0 231.520 3.831 10 30 BHEERN Cc1cc(F)ccc1-c1ccc(CC#N)cc1 ZINC000675055930 538476908 /nfs/dbraw/zinc/47/69/08/538476908.db2.gz DLNXQSMEQDRSKJ-UHFFFAOYSA-N 0 0 225.266 3.867 10 30 BHEERN CC(C)c1csc(-c2cc(F)ccc2C#N)n1 ZINC000675078905 538517891 /nfs/dbraw/zinc/51/78/91/538517891.db2.gz BBZCQEDGSGMRLR-UHFFFAOYSA-N 0 0 246.310 3.944 10 30 BHEERN Cc1c(Cl)cccc1C#CC(F)(F)F ZINC000675079246 538517754 /nfs/dbraw/zinc/51/77/54/538517754.db2.gz SDXQFELKUCREJI-UHFFFAOYSA-N 0 0 218.605 3.562 10 30 BHEERN CC(C)(C)C1CCC2(CC1)OCC[C@H]2C#N ZINC000675079863 538518741 /nfs/dbraw/zinc/51/87/41/538518741.db2.gz IRADLKZSFGAIMM-LXVYMNJGSA-N 0 0 221.344 3.522 10 30 BHEERN CC(C)(C)C1CCC2(CC1)OCC[C@@H]2C#N ZINC000675079866 538518615 /nfs/dbraw/zinc/51/86/15/538518615.db2.gz IRADLKZSFGAIMM-MBHSVXNSSA-N 0 0 221.344 3.522 10 30 BHEERN CC(C)c1csc(-c2ccc(F)cc2C#N)n1 ZINC000675080217 538519653 /nfs/dbraw/zinc/51/96/53/538519653.db2.gz PDEHQVDMNRTVHI-UHFFFAOYSA-N 0 0 246.310 3.944 10 30 BHEERN CC(C)c1csc(-c2cccc(F)c2C#N)n1 ZINC000675080721 541468210 /nfs/dbraw/zinc/46/82/10/541468210.db2.gz UCVUNMYNFCLLFI-UHFFFAOYSA-N 0 0 246.310 3.944 10 30 BHEERN CC(C)c1csc(-c2cccc(C#N)c2)n1 ZINC000675080754 541468090 /nfs/dbraw/zinc/46/80/90/541468090.db2.gz VGVKGFBIVWIDAM-UHFFFAOYSA-N 0 0 228.320 3.805 10 30 BHEERN CC1(C)CC2(CC(C)(C)C1)OCC[C@@H]2C#N ZINC000675080758 541468100 /nfs/dbraw/zinc/46/81/00/541468100.db2.gz UTPUIPRQRGQRIA-LLVKDONJSA-N 0 0 221.344 3.522 10 30 BHEERN CC1(C)CC2(CC(C)(C)C1)OCC[C@H]2C#N ZINC000675080760 541467955 /nfs/dbraw/zinc/46/79/55/541467955.db2.gz UTPUIPRQRGQRIA-NSHDSACASA-N 0 0 221.344 3.522 10 30 BHEERN CCC(C)(C)C1CCC2(CC1)OCC[C@@H]2C#N ZINC000675080818 538520465 /nfs/dbraw/zinc/52/04/65/538520465.db2.gz WDGWQGDNNKXSMT-JVWICGRDSA-N 0 0 235.371 3.912 10 30 BHEERN CCC(C)(C)C1CCC2(CC1)OCC[C@H]2C#N ZINC000675080822 538520370 /nfs/dbraw/zinc/52/03/70/538520370.db2.gz WDGWQGDNNKXSMT-OWYJLGKBSA-N 0 0 235.371 3.912 10 30 BHEERN CCCC(C#CC(=O)OC(C)(C)C)CCC ZINC000685952975 566486831 /nfs/dbraw/zinc/48/68/31/566486831.db2.gz IAJUJJJHOHUABY-UHFFFAOYSA-N 0 0 224.344 3.548 10 30 BHEERN C=CCOc1cccc(/C=C/Br)c1 ZINC000685964054 541498087 /nfs/dbraw/zinc/49/80/87/541498087.db2.gz RZWBYRPZTMGVQE-VOTSOKGWSA-N 0 0 239.112 3.617 10 30 BHEERN Fc1c(Cl)cc(Cl)cc1CS ZINC000725245948 538004584 /nfs/dbraw/zinc/00/45/84/538004584.db2.gz OFJBGBBTTGPLOC-UHFFFAOYSA-N 0 0 211.088 3.562 10 30 BHEERN SCc1sc2ccccc2c1Cl ZINC000725246607 538009030 /nfs/dbraw/zinc/00/90/30/538009030.db2.gz ZIPKMOZCQGYRAL-UHFFFAOYSA-N 0 0 214.742 3.985 10 30 BHEERN CCC(C)(C)[C@@H]1CCc2onc(CS)c2C1 ZINC000725252129 538031735 /nfs/dbraw/zinc/03/17/35/538031735.db2.gz FIMAAHNZAKHJKK-SECBINFHSA-N 0 0 239.384 3.646 10 30 BHEERN CCC(C)(C)[C@H]1CCc2onc(CS)c2C1 ZINC000725252130 538031810 /nfs/dbraw/zinc/03/18/10/538031810.db2.gz FIMAAHNZAKHJKK-VIFPVBQESA-N 0 0 239.384 3.646 10 30 BHEERN SCc1cc(-c2cc3ccccc3s2)on1 ZINC000725252283 538033275 /nfs/dbraw/zinc/03/32/75/538033275.db2.gz HNFPJJOLDUHZBI-UHFFFAOYSA-N 0 0 247.344 3.986 10 30 BHEERN CC(C)C(c1cc(CS)no1)C(C)C ZINC000725252345 538033681 /nfs/dbraw/zinc/03/36/81/538033681.db2.gz IICAKODQWLBNQB-UHFFFAOYSA-N 0 0 213.346 3.500 10 30 BHEERN Fc1ccc(-c2cc(CS)no2)cc1Cl ZINC000725252353 538033997 /nfs/dbraw/zinc/03/39/97/538033997.db2.gz INOQCPCNJYFADZ-UHFFFAOYSA-N 0 0 243.690 3.564 10 30 BHEERN Fc1ccc(-c2cc(CS)no2)c(Cl)c1 ZINC000725252483 538033393 /nfs/dbraw/zinc/03/33/93/538033393.db2.gz LCWVECHGDQNJNJ-UHFFFAOYSA-N 0 0 243.690 3.564 10 30 BHEERN Fc1cccc(Cl)c1-c1cc(CS)no1 ZINC000725252581 538034070 /nfs/dbraw/zinc/03/40/70/538034070.db2.gz MCAKQFDBYUYKDI-UHFFFAOYSA-N 0 0 243.690 3.564 10 30 BHEERN CC(C)c1c(CS)noc1-c1ccccc1 ZINC000725252771 538034958 /nfs/dbraw/zinc/03/49/58/538034958.db2.gz PVAVYVMDSLFCFB-UHFFFAOYSA-N 0 0 233.336 3.895 10 30 BHEERN CCc1ccc(-c2onc(CS)c2C)cc1 ZINC000725253101 538036260 /nfs/dbraw/zinc/03/62/60/538036260.db2.gz WMUBOBQSHMHQBL-UHFFFAOYSA-N 0 0 233.336 3.642 10 30 BHEERN Cc1c(CS)noc1-c1cccc(Cl)c1 ZINC000725253106 538036346 /nfs/dbraw/zinc/03/63/46/538036346.db2.gz WQQZEQVSTRBVMC-UHFFFAOYSA-N 0 0 239.727 3.733 10 30 BHEERN CC(C)(C)c1ccc([C@@]2(C=O)C[C@@H](F)C2)cc1 ZINC000725259074 582797677 /nfs/dbraw/zinc/79/76/77/582797677.db2.gz WIXIVOFDKBTIGO-OTVXOJSOSA-N 0 0 234.314 3.553 10 30 BHEERN CCCCc1ccc([C@@]2(C=O)C[C@@H](F)C2)cc1 ZINC000725259091 582798140 /nfs/dbraw/zinc/79/81/40/582798140.db2.gz WQZQXJSXENWLDQ-GASCZTMLSA-N 0 0 234.314 3.598 10 30 BHEERN C=C(F)C1(CC(=O)OC)CCC(C)(C)CC1 ZINC000725259498 541333785 /nfs/dbraw/zinc/33/37/85/541333785.db2.gz CPEBMXIUHZTBJN-UHFFFAOYSA-N 0 0 228.307 3.619 10 30 BHEERN C=C(F)[C@]1(CC(=O)OC)C[C@@H](C)CC(C)(C)C1 ZINC000725259557 541333600 /nfs/dbraw/zinc/33/36/00/541333600.db2.gz DYQQCZHOUXKFGR-HZMBPMFUSA-N 0 0 242.334 3.865 10 30 BHEERN C=C(F)[C@@]1(CC(=O)OC)C[C@@H](C)CC(C)(C)C1 ZINC000725259565 538079930 /nfs/dbraw/zinc/07/99/30/538079930.db2.gz DYQQCZHOUXKFGR-IINYFYTJSA-N 0 0 242.334 3.865 10 30 BHEERN C=C(F)[C@@]1(CC(=O)OC)C[C@H](C)CC(C)(C)C1 ZINC000725259567 538079914 /nfs/dbraw/zinc/07/99/14/538079914.db2.gz DYQQCZHOUXKFGR-QMTHXVAHSA-N 0 0 242.334 3.865 10 30 BHEERN C=C(F)[C@]1(CC(=O)OC)C[C@H](C)CC(C)(C)C1 ZINC000725259645 582802706 /nfs/dbraw/zinc/80/27/06/582802706.db2.gz DYQQCZHOUXKFGR-YGRLFVJLSA-N 0 0 242.334 3.865 10 30 BHEERN C=C(F)C1(CC(=O)OC)CCC(C(C)C)CC1 ZINC000725260679 538083433 /nfs/dbraw/zinc/08/34/33/538083433.db2.gz YAWZOYVCODESDZ-UHFFFAOYSA-N 0 0 242.334 3.865 10 30 BHEERN N#Cc1ccc(-c2cccc3occc32)nc1F ZINC000725263283 538089552 /nfs/dbraw/zinc/08/95/52/538089552.db2.gz FEIAYDHVLWFOAF-UHFFFAOYSA-N 0 0 238.221 3.506 10 30 BHEERN C=CC[C@@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757128236 582503206 /nfs/dbraw/zinc/50/32/06/582503206.db2.gz JOIDGLCLIKGXSG-LLVKDONJSA-N 0 0 214.312 3.555 10 30 BHEERN C=CC[C@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757128246 582503497 /nfs/dbraw/zinc/50/34/97/582503497.db2.gz JOIDGLCLIKGXSG-NSHDSACASA-N 0 0 214.312 3.555 10 30 BHEERN C=CCCCCNc1ccc2c(ccn2C)c1 ZINC000757129644 582503854 /nfs/dbraw/zinc/50/38/54/582503854.db2.gz MPFFCMCNHVWARK-UHFFFAOYSA-N 0 0 228.339 3.947 10 30 BHEERN C=C(CC)CNc1ccc2c(ccn2C)c1 ZINC000757131202 582505947 /nfs/dbraw/zinc/50/59/47/582505947.db2.gz PQDKMFYQKUNQLB-UHFFFAOYSA-N 0 0 214.312 3.556 10 30 BHEERN CC[C@@](C)(C=O)Cc1ccc(Cl)c(C)c1 ZINC000757147184 582531649 /nfs/dbraw/zinc/53/16/49/582531649.db2.gz ANPWJDIZVATYJX-CYBMUJFWSA-N 0 0 224.731 3.806 10 30 BHEERN CC[C@](C)(C=O)Cc1ccc(Cl)c(C)c1 ZINC000757147187 582531516 /nfs/dbraw/zinc/53/15/16/582531516.db2.gz ANPWJDIZVATYJX-ZDUSSCGKSA-N 0 0 224.731 3.806 10 30 BHEERN CCC=CC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757151357 582536203 /nfs/dbraw/zinc/53/62/03/582536203.db2.gz GNFALYUJUZEQTP-SNAWJCMRSA-N 0 0 222.715 3.726 10 30 BHEERN Cc1cc(CC2(C=O)CCC2)ccc1Cl ZINC000757151612 582535366 /nfs/dbraw/zinc/53/53/66/582535366.db2.gz IKUVJQAVKKONEU-UHFFFAOYSA-N 0 0 222.715 3.560 10 30 BHEERN CC(C)=CC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757153064 586429695 /nfs/dbraw/zinc/42/96/95/586429695.db2.gz MRLBPLBTJCETRT-UHFFFAOYSA-N 0 0 222.715 3.726 10 30 BHEERN Cc1cc(CC2(C#N)CCC2)ccc1Cl ZINC000757154372 582539174 /nfs/dbraw/zinc/53/91/74/582539174.db2.gz XQEIMYFZXNLBOZ-UHFFFAOYSA-N 0 0 219.715 3.885 10 30 BHEERN SC1CC(c2ccc(Br)cc2)C1 ZINC000757158829 582541002 /nfs/dbraw/zinc/54/10/02/582541002.db2.gz ASILCHYZGYOEAJ-UHFFFAOYSA-N 0 0 243.169 3.625 10 30 BHEERN CC1(C)Cc2ccc(Cl)cc2[C@@H]1S ZINC000757159412 586430323 /nfs/dbraw/zinc/43/03/23/586430323.db2.gz KBNKTILUBJWOJF-JTQLQIEISA-N 0 0 212.745 3.893 10 30 BHEERN CC1(C)Cc2ccc(Cl)cc2[C@H]1S ZINC000757159437 582540464 /nfs/dbraw/zinc/54/04/64/582540464.db2.gz KBNKTILUBJWOJF-SNVBAGLBSA-N 0 0 212.745 3.893 10 30 BHEERN S[C@H]1CCCc2sc(Br)cc21 ZINC000757159535 582541875 /nfs/dbraw/zinc/54/18/75/582541875.db2.gz NNKGPRRMKHBWGJ-LURJTMIESA-N 0 0 249.198 3.818 10 30 BHEERN S[C@@H]1CCCc2sc(Br)cc21 ZINC000757159538 582541947 /nfs/dbraw/zinc/54/19/47/582541947.db2.gz NNKGPRRMKHBWGJ-ZCFIWIBFSA-N 0 0 249.198 3.818 10 30 BHEERN S[C@H]1CCCc2sc(Cl)cc21 ZINC000757159543 582542161 /nfs/dbraw/zinc/54/21/61/582542161.db2.gz DCMSBTMLLSXNFG-LURJTMIESA-N 0 0 204.747 3.709 10 30 BHEERN S[C@@H]1CCCc2sc(Cl)cc21 ZINC000757159544 582541962 /nfs/dbraw/zinc/54/19/62/582541962.db2.gz DCMSBTMLLSXNFG-ZCFIWIBFSA-N 0 0 204.747 3.709 10 30 BHEERN CC(C)COc1ccc([C@H](C)S)cc1 ZINC000757159582 586430530 /nfs/dbraw/zinc/43/05/30/586430530.db2.gz FBLHVZBZNCGKHT-JTQLQIEISA-N 0 0 210.342 3.712 10 30 BHEERN CC(C)COc1ccc([C@@H](C)S)cc1 ZINC000757159588 586430640 /nfs/dbraw/zinc/43/06/40/586430640.db2.gz FBLHVZBZNCGKHT-SNVBAGLBSA-N 0 0 210.342 3.712 10 30 BHEERN SCc1ccc(-c2nc3ccccc3s2)o1 ZINC000757160114 582542014 /nfs/dbraw/zinc/54/20/14/582542014.db2.gz JWQUKHRSIBXNJP-UHFFFAOYSA-N 0 0 247.344 3.986 10 30 BHEERN Cc1nc(C(C)(C)C)sc1[C@@H](C)S ZINC000757161408 586431213 /nfs/dbraw/zinc/43/12/13/586431213.db2.gz YVWLYUNHPJAMIF-SSDOTTSWSA-N 0 0 215.387 3.740 10 30 BHEERN Cc1nc(C(C)(C)C)sc1[C@H](C)S ZINC000757161415 586431209 /nfs/dbraw/zinc/43/12/09/586431209.db2.gz YVWLYUNHPJAMIF-ZETCQYMHSA-N 0 0 215.387 3.740 10 30 BHEERN SCc1ccc(-c2ccccc2)s1 ZINC000757162246 586432737 /nfs/dbraw/zinc/43/27/37/586432737.db2.gz DNAZEFXRWSVLNU-UHFFFAOYSA-N 0 0 206.335 3.845 10 30 BHEERN Cc1cc(CS)c(C)n1-c1ccccc1 ZINC000757162266 586431576 /nfs/dbraw/zinc/43/15/76/586431576.db2.gz DXXFRNFPDUIETJ-UHFFFAOYSA-N 0 0 217.337 3.524 10 30 BHEERN SC(c1cccs1)c1cccs1 ZINC000757162348 586432313 /nfs/dbraw/zinc/43/23/13/586432313.db2.gz CUHUSBAXJNBZRO-UHFFFAOYSA-N 0 0 212.364 3.829 10 30 BHEERN SCc1cc(-c2cccs2)cs1 ZINC000757162409 586432399 /nfs/dbraw/zinc/43/23/99/586432399.db2.gz DHJARVWFXCVTRM-UHFFFAOYSA-N 0 0 212.364 3.906 10 30 BHEERN SCc1cc(-c2ccccc2)cs1 ZINC000757162434 586432109 /nfs/dbraw/zinc/43/21/09/586432109.db2.gz HHIJDTBRHYGAOY-UHFFFAOYSA-N 0 0 206.335 3.845 10 30 BHEERN C[C@@H]1C[C@@H](S)C[C@H](c2ccccc2)C1 ZINC000757162447 586432189 /nfs/dbraw/zinc/43/21/89/586432189.db2.gz HSAVZMLJCKXINP-CYZMBNFOSA-N 0 0 206.354 3.889 10 30 BHEERN C[C@@H]1C[C@H](S)C[C@@H](c2ccccc2)C1 ZINC000757162455 586432166 /nfs/dbraw/zinc/43/21/66/586432166.db2.gz HSAVZMLJCKXINP-DRZSPHRISA-N 0 0 206.354 3.889 10 30 BHEERN C[C@H]1C[C@@H](c2ccccc2)C[C@@H](S)C1 ZINC000757162457 586432156 /nfs/dbraw/zinc/43/21/56/586432156.db2.gz HSAVZMLJCKXINP-UHTWSYAYSA-N 0 0 206.354 3.889 10 30 BHEERN C[C@@H]1C[C@@H](S)C[C@@H](c2ccccc2)C1 ZINC000757162460 586432597 /nfs/dbraw/zinc/43/25/97/586432597.db2.gz HSAVZMLJCKXINP-WCFLWFBJSA-N 0 0 206.354 3.889 10 30 BHEERN Cc1ccoc1CSC[C@@H](C#N)C(C)C ZINC000757162569 582545326 /nfs/dbraw/zinc/54/53/26/582545326.db2.gz ACSRAYMHAZOXLJ-LLVKDONJSA-N 0 0 223.341 3.617 10 30 BHEERN Cc1ccoc1CSC[C@H](C#N)C(C)C ZINC000757162570 582545269 /nfs/dbraw/zinc/54/52/69/582545269.db2.gz ACSRAYMHAZOXLJ-NSHDSACASA-N 0 0 223.341 3.617 10 30 BHEERN SCc1cc(Br)c(Cl)s1 ZINC000757162825 582545470 /nfs/dbraw/zinc/54/54/70/582545470.db2.gz ITSDKIXPEPTVCJ-UHFFFAOYSA-N 0 0 243.578 3.594 10 30 BHEERN CC(C)CCOc1ccc(CS)cc1 ZINC000757162828 582545309 /nfs/dbraw/zinc/54/53/09/582545309.db2.gz IWXIUUNWVAZDMP-UHFFFAOYSA-N 0 0 210.342 3.541 10 30 BHEERN Cc1ccoc1CSC[C@@H](CS)C1CC1 ZINC000757162953 582545421 /nfs/dbraw/zinc/54/54/21/582545421.db2.gz BWHDDRMNMPPYFU-LLVKDONJSA-N 0 0 242.409 3.777 10 30 BHEERN Cc1ccoc1CSC[C@H](CS)C1CC1 ZINC000757162975 582545320 /nfs/dbraw/zinc/54/53/20/582545320.db2.gz BWHDDRMNMPPYFU-NSHDSACASA-N 0 0 242.409 3.777 10 30 BHEERN C[C@H]1C[C@@H](S)c2ccsc2S1 ZINC000757163630 582544614 /nfs/dbraw/zinc/54/46/14/582544614.db2.gz RDUBXDSYKFTAIM-CAHLUQPWSA-N 0 0 202.369 3.603 10 30 BHEERN C[C@H]1C[C@H](S)c2ccsc2S1 ZINC000757163635 582544575 /nfs/dbraw/zinc/54/45/75/582544575.db2.gz RDUBXDSYKFTAIM-FSPLSTOPSA-N 0 0 202.369 3.603 10 30 BHEERN Cc1ccoc1CSCC1(CC#N)CC1 ZINC000757163749 582544995 /nfs/dbraw/zinc/54/49/95/582544995.db2.gz DSMAXNHXPGFXIT-UHFFFAOYSA-N 0 0 221.325 3.515 10 30 BHEERN SC1CC(c2cccc(Br)c2)C1 ZINC000757163789 582545089 /nfs/dbraw/zinc/54/50/89/582545089.db2.gz SFRRSSRRMCGHAM-UHFFFAOYSA-N 0 0 243.169 3.625 10 30 BHEERN CCc1ccc(CS[C@@H](C)CCC#N)o1 ZINC000757163803 582544771 /nfs/dbraw/zinc/54/47/71/582544771.db2.gz DVWJFYDBCNIFBJ-JTQLQIEISA-N 0 0 223.341 3.767 10 30 BHEERN CCc1ccc(CS[C@H](C)CCC#N)o1 ZINC000757163821 582545129 /nfs/dbraw/zinc/54/51/29/582545129.db2.gz DVWJFYDBCNIFBJ-SNVBAGLBSA-N 0 0 223.341 3.767 10 30 BHEERN Cc1ccoc1CS[C@@H](C)CCC#N ZINC000757163907 582544975 /nfs/dbraw/zinc/54/49/75/582544975.db2.gz FJHUJFGFFQSTBI-JTQLQIEISA-N 0 0 209.314 3.514 10 30 BHEERN Cc1ccoc1CS[C@H](C)CCC#N ZINC000757163908 582544816 /nfs/dbraw/zinc/54/48/16/582544816.db2.gz FJHUJFGFFQSTBI-SNVBAGLBSA-N 0 0 209.314 3.514 10 30 BHEERN CCc1ccc(CSCCCCS)o1 ZINC000757163919 582545615 /nfs/dbraw/zinc/54/56/15/582545615.db2.gz FQLAQZLWJSIMSO-UHFFFAOYSA-N 0 0 230.398 3.785 10 30 BHEERN Cc1ccoc1CSCCCCCC#N ZINC000757163962 582545921 /nfs/dbraw/zinc/54/59/21/582545921.db2.gz GBZQUYGLSGZKMR-UHFFFAOYSA-N 0 0 223.341 3.905 10 30 BHEERN SC1CC(c2ccccc2Br)C1 ZINC000757164040 582546130 /nfs/dbraw/zinc/54/61/30/582546130.db2.gz XNCPNJNCNXEEJC-UHFFFAOYSA-N 0 0 243.169 3.625 10 30 BHEERN CCc1cc(Br)c(CS)s1 ZINC000757164436 582545943 /nfs/dbraw/zinc/54/59/43/582545943.db2.gz GHOJUNGLYNVUOC-UHFFFAOYSA-N 0 0 237.187 3.503 10 30 BHEERN CCc1ccc(CSCCCCC#N)o1 ZINC000757164487 582546029 /nfs/dbraw/zinc/54/60/29/582546029.db2.gz HLTZQNORFFTRMT-UHFFFAOYSA-N 0 0 223.341 3.769 10 30 BHEERN Cc1ccoc1CS[C@@H]1CCC[C@H]1C#N ZINC000757164496 582546067 /nfs/dbraw/zinc/54/60/67/582546067.db2.gz HRUUCMXVCPASJT-CMPLNLGQSA-N 0 0 221.325 3.514 10 30 BHEERN Cc1ccoc1CS[C@H]1CCC[C@H]1C#N ZINC000757164504 582546012 /nfs/dbraw/zinc/54/60/12/582546012.db2.gz HRUUCMXVCPASJT-JQWIXIFHSA-N 0 0 221.325 3.514 10 30 BHEERN Cc1ccoc1CS[C@H]1CCC[C@@H]1C#N ZINC000757164506 582546182 /nfs/dbraw/zinc/54/61/82/582546182.db2.gz HRUUCMXVCPASJT-PWSUYJOCSA-N 0 0 221.325 3.514 10 30 BHEERN Cc1ccoc1CS[C@@H]1CCC[C@@H]1C#N ZINC000757164519 582546210 /nfs/dbraw/zinc/54/62/10/582546210.db2.gz HRUUCMXVCPASJT-ZYHUDNBSSA-N 0 0 221.325 3.514 10 30 BHEERN C=C(CS)CSCc1ccc(CC)o1 ZINC000757164618 582545904 /nfs/dbraw/zinc/54/59/04/582545904.db2.gz HWLMVPINUUDGDL-UHFFFAOYSA-N 0 0 228.382 3.561 10 30 BHEERN CC[C@@H](CC#N)SCc1occc1C ZINC000757164670 582545767 /nfs/dbraw/zinc/54/57/67/582545767.db2.gz IBKHNTNKCFBQSR-JTQLQIEISA-N 0 0 209.314 3.514 10 30 BHEERN CC[C@H](CC#N)SCc1occc1C ZINC000757164671 582546065 /nfs/dbraw/zinc/54/60/65/582546065.db2.gz IBKHNTNKCFBQSR-SNVBAGLBSA-N 0 0 209.314 3.514 10 30 BHEERN Cc1ccoc1CSCC1(CS)CCC1 ZINC000757164758 582546402 /nfs/dbraw/zinc/54/64/02/582546402.db2.gz INEKQAZHRNABPP-UHFFFAOYSA-N 0 0 242.409 3.921 10 30 BHEERN FC(F)(F)C[C@@H](S)c1ccccc1 ZINC000757164774 582546629 /nfs/dbraw/zinc/54/66/29/582546629.db2.gz IXQULRULKFTITJ-MRVPVSSYSA-N 0 0 206.232 3.610 10 30 BHEERN FC(F)(F)C[C@H](S)c1ccccc1 ZINC000757164776 582546661 /nfs/dbraw/zinc/54/66/61/582546661.db2.gz IXQULRULKFTITJ-QMMMGPOBSA-N 0 0 206.232 3.610 10 30 BHEERN Fc1ccc(CS)cc1-c1cccs1 ZINC000757165016 582546544 /nfs/dbraw/zinc/54/65/44/582546544.db2.gz KIKIQIJZZWBAAN-UHFFFAOYSA-N 0 0 224.325 3.984 10 30 BHEERN CC1(c2ccccc2)CCC(S)CC1 ZINC000757165060 582546337 /nfs/dbraw/zinc/54/63/37/582546337.db2.gz KPOMPWPTQURWEH-UHFFFAOYSA-N 0 0 206.354 3.817 10 30 BHEERN C=C(Br)CSCc1occc1C ZINC000757165253 582547047 /nfs/dbraw/zinc/54/70/47/582547047.db2.gz GKDWDXNYPUURIF-UHFFFAOYSA-N 0 0 247.157 3.730 10 30 BHEERN CCc1ccc(CS[C@H](CC)CC#N)o1 ZINC000757165318 582547285 /nfs/dbraw/zinc/54/72/85/582547285.db2.gz JYYAVGZIGARVOF-GFCCVEGCSA-N 0 0 223.341 3.767 10 30 BHEERN CCc1ccc(CS[C@@H](CC)CC#N)o1 ZINC000757165320 582547169 /nfs/dbraw/zinc/54/71/69/582547169.db2.gz JYYAVGZIGARVOF-LBPRGKRZSA-N 0 0 223.341 3.767 10 30 BHEERN CCc1ccc(CSCC(C)(C)C#N)o1 ZINC000757165376 582547054 /nfs/dbraw/zinc/54/70/54/582547054.db2.gz KRRBGEQIZRCICX-UHFFFAOYSA-N 0 0 223.341 3.625 10 30 BHEERN Fc1ccc(-c2ccc(CS)o2)cc1 ZINC000757165521 582546589 /nfs/dbraw/zinc/54/65/89/582546589.db2.gz LRYNRBFAIWDFGP-UHFFFAOYSA-N 0 0 208.257 3.516 10 30 BHEERN Cc1ccoc1CSCC(C)(C)CS ZINC000757166040 582548309 /nfs/dbraw/zinc/54/83/09/582548309.db2.gz OCNSKPIHLPYMQU-UHFFFAOYSA-N 0 0 230.398 3.777 10 30 BHEERN CCc1ccc(CSC[C@H](C)CS)o1 ZINC000757166162 582548461 /nfs/dbraw/zinc/54/84/61/582548461.db2.gz PFUIUXZRYZZYLK-SECBINFHSA-N 0 0 230.398 3.641 10 30 BHEERN CCc1ccc(CSC[C@@H](C)CS)o1 ZINC000757166164 582548968 /nfs/dbraw/zinc/54/89/68/582548968.db2.gz PFUIUXZRYZZYLK-VIFPVBQESA-N 0 0 230.398 3.641 10 30 BHEERN C[C@H](S)c1sccc1Br ZINC000757166353 582547698 /nfs/dbraw/zinc/54/76/98/582547698.db2.gz SUQQKTFWIBDFEC-BYPYZUCNSA-N 0 0 223.160 3.501 10 30 BHEERN C[C@@H](S)c1sccc1Br ZINC000757166355 582547563 /nfs/dbraw/zinc/54/75/63/582547563.db2.gz SUQQKTFWIBDFEC-SCSAIBSYSA-N 0 0 223.160 3.501 10 30 BHEERN CC[C@@H](CS)CSCc1occc1C ZINC000757166692 586432514 /nfs/dbraw/zinc/43/25/14/586432514.db2.gz RLVWRKNBVAPGGZ-JTQLQIEISA-N 0 0 230.398 3.777 10 30 BHEERN CC[C@H](CS)CSCc1occc1C ZINC000757166694 586432702 /nfs/dbraw/zinc/43/27/02/586432702.db2.gz RLVWRKNBVAPGGZ-SNVBAGLBSA-N 0 0 230.398 3.777 10 30 BHEERN Cc1ccoc1CSCCCCC#N ZINC000757166889 582548313 /nfs/dbraw/zinc/54/83/13/582548313.db2.gz SOZGOEQRQXLZRC-UHFFFAOYSA-N 0 0 209.314 3.515 10 30 BHEERN CCc1ccc(CSC/C=C/CS)o1 ZINC000757167298 582548766 /nfs/dbraw/zinc/54/87/66/582548766.db2.gz URWQBEIQOKOEDH-ONEGZZNKSA-N 0 0 228.382 3.561 10 30 BHEERN Cc1ccoc1CSCCC(C)(C)C#N ZINC000757167307 582548762 /nfs/dbraw/zinc/54/87/62/582548762.db2.gz UZPSCDGCYZGJKU-UHFFFAOYSA-N 0 0 223.341 3.761 10 30 BHEERN Cc1ccoc1CSCC1(CS)CC1 ZINC000757167325 582548508 /nfs/dbraw/zinc/54/85/08/582548508.db2.gz VMKJRHNDEFCILQ-UHFFFAOYSA-N 0 0 228.382 3.531 10 30 BHEERN CCc1ccc(CSCC2(CS)CC2)o1 ZINC000757167794 582548985 /nfs/dbraw/zinc/54/89/85/582548985.db2.gz XXJOCNAHUJYQBG-UHFFFAOYSA-N 0 0 242.409 3.785 10 30 BHEERN Cc1ccoc1CSCCCCS ZINC000757167893 582548557 /nfs/dbraw/zinc/54/85/57/582548557.db2.gz ZIOXOECNVXPCGQ-UHFFFAOYSA-N 0 0 216.371 3.531 10 30 BHEERN Cc1ccoc1CSCCCCCS ZINC000757167977 582549497 /nfs/dbraw/zinc/54/94/97/582549497.db2.gz ZVVJDYXLNHFHBC-UHFFFAOYSA-N 0 0 230.398 3.921 10 30 BHEERN C=C(CS)CSCc1ccc(Cl)o1 ZINC000757168533 586432664 /nfs/dbraw/zinc/43/26/64/586432664.db2.gz AZIMHWNZZJVZRU-UHFFFAOYSA-N 0 0 234.773 3.652 10 30 BHEERN N#C[C@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757169047 582549476 /nfs/dbraw/zinc/54/94/76/582549476.db2.gz FTCOPWJEMPWXQK-PSASIEDQSA-N 0 0 241.743 3.858 10 30 BHEERN N#C[C@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757169048 582549667 /nfs/dbraw/zinc/54/96/67/582549667.db2.gz FTCOPWJEMPWXQK-SCZZXKLOSA-N 0 0 241.743 3.858 10 30 BHEERN N#C[C@@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757169049 582549257 /nfs/dbraw/zinc/54/92/57/582549257.db2.gz FTCOPWJEMPWXQK-WCBMZHEXSA-N 0 0 241.743 3.858 10 30 BHEERN N#C[C@@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757169051 582549289 /nfs/dbraw/zinc/54/92/89/582549289.db2.gz FTCOPWJEMPWXQK-WPRPVWTQSA-N 0 0 241.743 3.858 10 30 BHEERN CC(C)(C#N)CSCc1ccc(Cl)o1 ZINC000757169057 582549423 /nfs/dbraw/zinc/54/94/23/582549423.db2.gz FUAGBAONRFAREJ-UHFFFAOYSA-N 0 0 229.732 3.716 10 30 BHEERN CC[C@H](CC#N)SCc1ccc(Cl)o1 ZINC000757169083 582549420 /nfs/dbraw/zinc/54/94/20/582549420.db2.gz GBEOAUDCIJSBDX-SECBINFHSA-N 0 0 229.732 3.858 10 30 BHEERN CC[C@@H](CC#N)SCc1ccc(Cl)o1 ZINC000757169092 582549632 /nfs/dbraw/zinc/54/96/32/582549632.db2.gz GBEOAUDCIJSBDX-VIFPVBQESA-N 0 0 229.732 3.858 10 30 BHEERN CC(C)[C@H](C#N)CSCc1ccc(Cl)o1 ZINC000757169610 586433013 /nfs/dbraw/zinc/43/30/13/586433013.db2.gz JRBPVUGWQFYCPY-SECBINFHSA-N 0 0 243.759 3.962 10 30 BHEERN CC(C)[C@@H](C#N)CSCc1ccc(Cl)o1 ZINC000757169611 586433241 /nfs/dbraw/zinc/43/32/41/586433241.db2.gz JRBPVUGWQFYCPY-VIFPVBQESA-N 0 0 243.759 3.962 10 30 BHEERN N#CCCCCSCc1ccc(Cl)o1 ZINC000757169643 643353330 /nfs/dbraw/zinc/35/33/30/643353330.db2.gz KGGAGKIAEYOZGS-UHFFFAOYSA-N 0 0 229.732 3.860 10 30 BHEERN N#C[C@H](CSCc1ccc(Cl)o1)C1CC1 ZINC000757170112 582550265 /nfs/dbraw/zinc/55/02/65/582550265.db2.gz OJXXUBLXDCCFNP-SECBINFHSA-N 0 0 241.743 3.716 10 30 BHEERN N#C[C@@H](CSCc1ccc(Cl)o1)C1CC1 ZINC000757170113 582550145 /nfs/dbraw/zinc/55/01/45/582550145.db2.gz OJXXUBLXDCCFNP-VIFPVBQESA-N 0 0 241.743 3.716 10 30 BHEERN C#CCCCSCc1ccc(Cl)o1 ZINC000757170116 582550027 /nfs/dbraw/zinc/55/00/27/582550027.db2.gz OLIKWKNLLMFNKH-UHFFFAOYSA-N 0 0 214.717 3.580 10 30 BHEERN C[C@H](CS)CSCc1ccc(Cl)o1 ZINC000757170487 582550717 /nfs/dbraw/zinc/55/07/17/582550717.db2.gz POCGJABWXPVHJR-SSDOTTSWSA-N 0 0 236.789 3.732 10 30 BHEERN C[C@@H](CS)CSCc1ccc(Cl)o1 ZINC000757170489 582550663 /nfs/dbraw/zinc/55/06/63/582550663.db2.gz POCGJABWXPVHJR-ZETCQYMHSA-N 0 0 236.789 3.732 10 30 BHEERN SCC1(CSCc2ccc(Cl)o2)CC1 ZINC000757170830 582550919 /nfs/dbraw/zinc/55/09/19/582550919.db2.gz QUZQYGWSUHKIRD-UHFFFAOYSA-N 0 0 248.800 3.876 10 30 BHEERN SC/C=C/CSCc1ccc(Cl)o1 ZINC000757170866 582550520 /nfs/dbraw/zinc/55/05/20/582550520.db2.gz RCYNRWWPJJHUGG-OWOJBTEDSA-N 0 0 234.773 3.652 10 30 BHEERN SCCCCSCc1ccc(Cl)o1 ZINC000757171615 582551399 /nfs/dbraw/zinc/55/13/99/582551399.db2.gz UVPPLZCEIBEHPL-UHFFFAOYSA-N 0 0 236.789 3.876 10 30 BHEERN N#CCC1(CSCc2ccc(Cl)o2)CC1 ZINC000757171631 582551392 /nfs/dbraw/zinc/55/13/92/582551392.db2.gz VEJFKXRDGGYDOC-UHFFFAOYSA-N 0 0 241.743 3.860 10 30 BHEERN C[C@H](CCC#N)SCc1ccc(Cl)o1 ZINC000757172749 582552094 /nfs/dbraw/zinc/55/20/94/582552094.db2.gz ZHNXDTYSNMNIFC-MRVPVSSYSA-N 0 0 229.732 3.858 10 30 BHEERN C[C@@H](CCC#N)SCc1ccc(Cl)o1 ZINC000757172750 582552047 /nfs/dbraw/zinc/55/20/47/582552047.db2.gz ZHNXDTYSNMNIFC-QMMMGPOBSA-N 0 0 229.732 3.858 10 30 BHEERN