smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C/C(C)=N/CCCC/N=C(/C)CC(C)=O ZINC000104327384 185969723 /nfs/dbraw/zinc/96/97/23/185969723.db2.gz UDVOETZXBOGXTH-UKVBVZPVSA-N 0 3 252.358 2.647 40 30 CFEBHN CCC(=O)/C(=C/c1ccccc1)C(=O)[C@H](C)CN(C)C ZINC000001589330 371685286 /nfs/dbraw/zinc/68/52/86/371685286.db2.gz VTXHZGOQYNVMSB-LKKYZFDUSA-N 0 3 273.376 2.816 40 30 CFEBHN COc1ccc(/C(C)=N\[O-])cc1CS[n+]1ccccc1 ZINC000017126988 372128079 /nfs/dbraw/zinc/12/80/79/372128079.db2.gz OPDAGQYYPYVXEH-VBKFSLOCSA-O 0 3 289.380 2.877 40 30 CFEBHN C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1cc(C)c(C)o1 ZINC000096184376 375474516 /nfs/dbraw/zinc/47/45/16/375474516.db2.gz MKZOMKNSTVUTHZ-JKSUJKDBSA-N 0 3 260.381 2.731 40 30 CFEBHN CN1CCC(N=Nc2nc3ccccc3s2)CC1 ZINC000006379309 170196439 /nfs/dbraw/zinc/19/64/39/170196439.db2.gz YLMFAGVBUKOUBP-UHFFFAOYSA-N 0 3 260.366 2.790 40 30 CFEBHN C#CCOc1c(CNC(C)(C)C)cccc1OCC ZINC000045945525 175388138 /nfs/dbraw/zinc/38/81/38/175388138.db2.gz GCRDOVQGBOPPQH-UHFFFAOYSA-N 0 3 261.365 2.985 40 30 CFEBHN N#CC(C(N)=O)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001581429 371683303 /nfs/dbraw/zinc/68/33/03/371683303.db2.gz BSUBFGTXOWTBKV-CVEARBPZSA-N 0 3 292.338 2.668 40 30 CFEBHN C[C@@H]1CCC[C@@H](C)N1CCOc1cc(N)ccc1C#N ZINC000001661465 371691884 /nfs/dbraw/zinc/69/18/84/371691884.db2.gz FBASXSODSJYVLL-CHWSQXEVSA-N 0 3 273.380 2.782 40 30 CFEBHN COc1cccc(/C=C2\CC[C@@H](CN(C)C)C2=O)c1 ZINC000017198775 372129582 /nfs/dbraw/zinc/12/95/82/372129582.db2.gz QXCONXOZKDRDML-SSUFTNFISA-N 0 3 259.349 2.619 40 30 CFEBHN CC[C@@H](C#N)NC1CCN(Cc2ccccc2)CC1 ZINC000031343088 372408927 /nfs/dbraw/zinc/40/89/27/372408927.db2.gz XARCFSHZUKBOAM-HNNXBMFYSA-N 0 3 257.381 2.543 40 30 CFEBHN C=CCN1C(=O)CC[C@H]2[C@@H]1CCN2Cc1ccc(CC)o1 ZINC000096186253 375475801 /nfs/dbraw/zinc/47/58/01/375475801.db2.gz ZDQWZKXHYFXURY-HOTGVXAUSA-N 0 3 288.391 2.593 40 30 CFEBHN CCC1SC(=Nc2ccc(C(C)=O)cc2)NC1=O ZINC000006870748 260023976 /nfs/dbraw/zinc/02/39/76/260023976.db2.gz HPXBGAXHFCAXOF-LLVKDONJSA-N 0 3 262.334 2.518 40 30 CFEBHN CC(C)Cc1c(C#N)c(Cl)nc2c1CN(C)CC2 ZINC000096511126 393835945 /nfs/dbraw/zinc/83/59/45/393835945.db2.gz MQISKFNDFZFCGT-UHFFFAOYSA-N 0 3 263.772 2.793 40 30 CFEBHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096039595 185069249 /nfs/dbraw/zinc/06/92/49/185069249.db2.gz LJDVDWAGLWQZMJ-IAGOWNOFSA-N 0 3 291.391 2.853 40 30 CFEBHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)s1 ZINC000096056515 185077945 /nfs/dbraw/zinc/07/79/45/185077945.db2.gz QBOCWUQUYJSSMV-HUUCEWRRSA-N 0 3 290.432 2.808 40 30 CFEBHN N#Cc1ccnc(Nc2nc([C@@H]3CCCN3)cs2)c1 ZINC000585292640 348738749 /nfs/dbraw/zinc/73/87/49/348738749.db2.gz LVYPZLANQBRYML-JTQLQIEISA-N 0 3 271.349 2.578 40 30 CFEBHN C(=NNC1=NCCCCN1)c1ccc2ccccc2c1 ZINC000001645644 371691518 /nfs/dbraw/zinc/69/15/18/371691518.db2.gz CRZIFQBLHXXMCS-XDHOZWIPSA-N 0 3 266.348 2.503 40 30 CFEBHN CN(C)/C=N/C1=NN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013152340 372017087 /nfs/dbraw/zinc/01/70/87/372017087.db2.gz SCBVCOBSFZUCNV-RQZCQDPDSA-N 0 3 284.285 2.819 40 30 CFEBHN CN(C)CCN(C)CC(C)(C)C(=O)/C=C\c1ccccc1 ZINC000023477932 372261152 /nfs/dbraw/zinc/26/11/52/372261152.db2.gz PJQUFKJSEWGUPU-QXMHVHEDSA-N 0 3 288.435 2.789 40 30 CFEBHN C=CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220821 372358734 /nfs/dbraw/zinc/35/87/34/372358734.db2.gz OMJDSHVUDUJASX-CQSZACIVSA-N 0 3 292.810 2.854 40 30 CFEBHN C[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1 ZINC000005358111 170089358 /nfs/dbraw/zinc/08/93/58/170089358.db2.gz YLUPTEYKJCDJHX-XHCVWTGESA-N 0 3 277.324 2.690 40 30 CFEBHN CCOC(OCC)C(=O)C(C#N)c1ccc(Cl)cc1 ZINC000005575680 170115490 /nfs/dbraw/zinc/11/54/90/170115490.db2.gz QQFQSACPYJTBON-LBPRGKRZSA-N 0 3 281.739 2.915 40 30 CFEBHN N#Cc1ccc(NC(=O)CNCC2CCCCC2)cc1 ZINC000004897784 371876389 /nfs/dbraw/zinc/87/63/89/371876389.db2.gz MTXMJWOWOYPHTC-UHFFFAOYSA-N 0 3 271.364 2.667 40 30 CFEBHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096039596 375469308 /nfs/dbraw/zinc/46/93/08/375469308.db2.gz LJDVDWAGLWQZMJ-IRXDYDNUSA-N 0 3 291.391 2.853 40 30 CFEBHN CC[NH+](CC)CCOc1ccc(/C(C)=N/[O-])cc1 ZINC000004748841 170011022 /nfs/dbraw/zinc/01/10/22/170011022.db2.gz AOQGEVJQKKBQQP-NTCAYCPXSA-N 0 3 250.342 2.605 40 30 CFEBHN C[C@H]1CN(C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1 ZINC000005027506 170057606 /nfs/dbraw/zinc/05/76/06/170057606.db2.gz BBOGVVJGROGHRN-CYVDBUDESA-N 0 3 278.327 2.699 40 30 CFEBHN O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CCc2ccccc2C1 ZINC000016524799 262046869 /nfs/dbraw/zinc/04/68/69/262046869.db2.gz SDLVVHFSNYGCQD-APBXHAHBSA-N 0 3 256.349 2.673 40 30 CFEBHN CCN(CC)CC#CCOC(=O)Nc1ccccc1 ZINC000003157207 520568296 /nfs/dbraw/zinc/56/82/96/520568296.db2.gz HEVCNGHPCDMIHZ-UHFFFAOYSA-N 0 3 260.337 2.580 40 30 CFEBHN C=CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096039592 185068959 /nfs/dbraw/zinc/06/89/59/185068959.db2.gz ZAHICDYSYFJATM-IRXDYDNUSA-N 0 3 291.391 2.853 40 30 CFEBHN Cc1ccc(C=CC(=O)C(CN(C)C)CN(C)C)cc1C ZINC000001584558 371683025 /nfs/dbraw/zinc/68/30/25/371683025.db2.gz XSDGPKZRENOEDZ-MDZDMXLPSA-N 0 3 288.435 2.625 40 30 CFEBHN CCC(=O)/C(=C/c1ccccc1)C(=O)[C@@H](C)CN(C)C ZINC000001589328 371684826 /nfs/dbraw/zinc/68/48/26/371684826.db2.gz VTXHZGOQYNVMSB-WZMONFQBSA-N 0 3 273.376 2.816 40 30 CFEBHN COc1ccccc1NC(=N)Nc1ccccc1OC ZINC000005319575 170085571 /nfs/dbraw/zinc/08/55/71/170085571.db2.gz SUWFNJNGGZUBSG-UHFFFAOYSA-N 0 3 271.320 2.762 40 30 CFEBHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096039594 185069406 /nfs/dbraw/zinc/06/94/06/185069406.db2.gz LJDVDWAGLWQZMJ-SJORKVTESA-N 0 3 291.391 2.853 40 30 CFEBHN C=CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096048202 185072651 /nfs/dbraw/zinc/07/26/51/185072651.db2.gz SZLCPPFJDJPDNL-IRXDYDNUSA-N 0 3 291.391 2.914 40 30 CFEBHN C=CCO[C@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000107730512 186189480 /nfs/dbraw/zinc/18/94/80/186189480.db2.gz SZLCPPFJDJPDNL-IAGOWNOFSA-N 0 3 291.391 2.914 40 30 CFEBHN N#CC(C(N)=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001581430 371682927 /nfs/dbraw/zinc/68/29/27/371682927.db2.gz BSUBFGTXOWTBKV-HOTGVXAUSA-N 0 3 292.338 2.668 40 30 CFEBHN O=C(NCC#CCN1CCCC1)Nc1cccc(Cl)c1 ZINC000001692929 371698305 /nfs/dbraw/zinc/69/83/05/371698305.db2.gz URLRLHJZHGQXHQ-UHFFFAOYSA-N 0 3 291.782 2.561 40 30 CFEBHN O/N=C1/[C@H](N2CCc3ccccc3C2)[C@@H]2CC[C@H]1C2 ZINC000006229591 371889015 /nfs/dbraw/zinc/88/90/15/371889015.db2.gz SDLVVHFSNYGCQD-MLOUTNQZSA-N 0 3 256.349 2.673 40 30 CFEBHN Cc1cccc(C(=O)O/N=C2/C[C@H](C)N(C)C[C@H]2C)c1 ZINC000013634897 372038102 /nfs/dbraw/zinc/03/81/02/372038102.db2.gz WSBKLQGARDLANT-OJVXUPTESA-N 0 3 274.364 2.868 40 30 CFEBHN CCc1ncnc2c1CCN(Cc1cccc(C#N)c1)CC2 ZINC000096255020 375481364 /nfs/dbraw/zinc/48/13/64/375481364.db2.gz ZAAIASQMLWSOCV-UHFFFAOYSA-N 0 3 292.386 2.511 40 30 CFEBHN C=CCC(C)(C)C(=O)Nc1ccc(OCCN(C)C)nc1 ZINC000225942184 382823908 /nfs/dbraw/zinc/82/39/08/382823908.db2.gz FHVUBGLZWUJJLM-UHFFFAOYSA-N 0 3 291.395 2.563 40 30 CFEBHN C[C@@H](CN(C)C)C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000017175547 278237506 /nfs/dbraw/zinc/23/75/06/278237506.db2.gz KCCPYEKUXVMZAM-BXKUYDPTSA-N 0 3 253.292 2.745 40 30 CFEBHN C=CCN1CCC2(CCN(Cc3cccs3)CC2)C1=O ZINC000096046811 185071110 /nfs/dbraw/zinc/07/11/10/185071110.db2.gz NIUVRGCSWOASKQ-UHFFFAOYSA-N 0 3 290.432 2.749 40 30 CFEBHN C=CCOCc1cncc2c1CCN(CC1CC1)C2 ZINC000096059296 185079233 /nfs/dbraw/zinc/07/92/33/185079233.db2.gz IGXBSWHQFIPQKB-UHFFFAOYSA-N 0 3 258.365 2.552 40 30 CFEBHN C=CCN1CCC[C@]12CCCN(C(=O)c1occc1C)C2 ZINC000096071432 185086792 /nfs/dbraw/zinc/08/67/92/185086792.db2.gz WXWPPQAKMVESCA-KRWDZBQOSA-N 0 3 288.391 2.845 40 30 CFEBHN C[C@H](CN(C)C)C(=O)/C=C/c1ccc(F)c(F)c1 ZINC000001611368 371686525 /nfs/dbraw/zinc/68/65/25/371686525.db2.gz KCCPYEKUXVMZAM-BREXMAIKSA-N 0 3 253.292 2.745 40 30 CFEBHN N#Cc1ccc([N+](=O)[O-])cc1OCCCN1CCCCC1 ZINC000001661276 371692479 /nfs/dbraw/zinc/69/24/79/371692479.db2.gz KFQHHNCYUDBGGT-UHFFFAOYSA-N 0 3 289.335 2.721 40 30 CFEBHN O=C(Nc1cccc(Cl)c1)OCC#CCN1CCCC1 ZINC000001698111 371698132 /nfs/dbraw/zinc/69/81/32/371698132.db2.gz ARFAGUMSEYHDPD-UHFFFAOYSA-N 0 3 292.766 2.988 40 30 CFEBHN C[C@@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1 ZINC000005358107 393461268 /nfs/dbraw/zinc/46/12/68/393461268.db2.gz YLUPTEYKJCDJHX-XWXLAHMZSA-N 0 3 277.324 2.690 40 30 CFEBHN CCCCCCCNCc1cnc(NCC)nc1 ZINC000103596288 393857334 /nfs/dbraw/zinc/85/73/34/393857334.db2.gz SZBBWNOMIZIVGU-UHFFFAOYSA-N 0 3 250.390 2.968 40 30 CFEBHN CCC1SC(=Nc2cccc(C(C)=O)c2)NC1=O ZINC000006870815 529475180 /nfs/dbraw/zinc/47/51/80/529475180.db2.gz ONZRBDJXJSBVOE-NSHDSACASA-N 0 3 262.334 2.518 40 30 CFEBHN O=C(OCC#CCN1CCCCC1)c1ccccc1Cl ZINC000001628100 371689344 /nfs/dbraw/zinc/68/93/44/371689344.db2.gz OQPSBTBVLXUVBD-UHFFFAOYSA-N 0 3 291.778 2.986 40 30 CFEBHN O=[N+]([O-])c1ccc(/C=C\C(CC[NH+]2CCCCC2)=N\[O-])o1 ZINC000017175772 372128947 /nfs/dbraw/zinc/12/89/47/372128947.db2.gz MDPQIDUNVIMHMS-QWUFELPHSA-N 0 3 293.323 2.907 40 30 CFEBHN O=[N+]([O-])c1ccc(/C=C\C(CC[NH+]2CCCCC2)=N/[O-])o1 ZINC000005766224 170138254 /nfs/dbraw/zinc/13/82/54/170138254.db2.gz MDPQIDUNVIMHMS-XXUPZHKPSA-N 0 3 293.323 2.907 40 30 CFEBHN C=CCSc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000219820752 527009122 /nfs/dbraw/zinc/00/91/22/527009122.db2.gz BIJLTORNIBWQNM-UHFFFAOYSA-N 0 3 290.432 2.789 40 30 CFEBHN C=CCOC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)o2)O1 ZINC000096056387 185077989 /nfs/dbraw/zinc/07/79/89/185077989.db2.gz VTRDIZFTYLLGIJ-BRWVUGGUSA-N 0 3 291.391 2.913 40 30 CFEBHN C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2 ZINC000096071443 185086494 /nfs/dbraw/zinc/08/64/94/185086494.db2.gz WGNZNKDUNBFAMG-GOSISDBHSA-N 0 3 299.418 2.647 40 30 CFEBHN CCC1SC(=Nc2ccc(C(C)=O)cc2)NC1=O ZINC000006870808 260024005 /nfs/dbraw/zinc/02/40/05/260024005.db2.gz HPXBGAXHFCAXOF-NSHDSACASA-N 0 3 262.334 2.518 40 30 CFEBHN C=CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220826 372358865 /nfs/dbraw/zinc/35/88/65/372358865.db2.gz OMJDSHVUDUJASX-AWEZNQCLSA-N 0 3 292.810 2.854 40 30 CFEBHN C=C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 ZINC000008299986 393468292 /nfs/dbraw/zinc/46/82/92/393468292.db2.gz YUZZACSOTBIUGP-CWRNSKLLSA-N 0 3 276.424 2.579 40 30 biogenic,in-vitro CFEBHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096049993 185075065 /nfs/dbraw/zinc/07/50/65/185075065.db2.gz DPVQJQPWMSFULR-KRWDZBQOSA-N 0 3 288.391 2.813 40 30 CFEBHN C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC000096083008 185093175 /nfs/dbraw/zinc/09/31/75/185093175.db2.gz FNODERFOAYOPLH-JKSUJKDBSA-N 0 3 260.356 2.660 40 30 CFEBHN N#Cc1ccnc(Nc2nc([C@H]3CCCN3)cs2)c1 ZINC000585292641 348738933 /nfs/dbraw/zinc/73/89/33/348738933.db2.gz LVYPZLANQBRYML-SNVBAGLBSA-N 0 3 271.349 2.578 40 30 CFEBHN O=C(C[n+]1ccccc1)c1ccc2ccccc2c1[O-] ZINC000001666270 371693870 /nfs/dbraw/zinc/69/38/70/371693870.db2.gz KRRZETHMGCOBTF-UHFFFAOYSA-O 0 3 264.304 2.716 40 30 CFEBHN O=[N+]([O-])c1ccc(/C=C/C(CC[NH+]2CCCCC2)=N\[O-])o1 ZINC000008652750 230370591 /nfs/dbraw/zinc/37/05/91/230370591.db2.gz MDPQIDUNVIMHMS-LPTHAUBOSA-N 0 3 293.323 2.907 40 30 CFEBHN C=CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096039590 185069669 /nfs/dbraw/zinc/06/96/69/185069669.db2.gz ZAHICDYSYFJATM-SJORKVTESA-N 0 3 291.391 2.853 40 30 CFEBHN C=CCN1CCC[C@]12CCCN(C(=O)c1ccc(C)o1)C2 ZINC000096071438 185087138 /nfs/dbraw/zinc/08/71/38/185087138.db2.gz ITDIMSIBTLPWHH-KRWDZBQOSA-N 0 3 288.391 2.845 40 30 CFEBHN CCOC(OCC)C(=O)C(C#N)c1ccc(Cl)cc1 ZINC000001667778 371694217 /nfs/dbraw/zinc/69/42/17/371694217.db2.gz QQFQSACPYJTBON-GFCCVEGCSA-N 0 3 281.739 2.915 40 30 CFEBHN C[C@@H]1CN(C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1 ZINC000013556354 372031604 /nfs/dbraw/zinc/03/16/04/372031604.db2.gz YLUPTEYKJCDJHX-NFYHWTQCSA-N 0 3 277.324 2.690 40 30 CFEBHN C[C@@H]1CN(C)[C@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1 ZINC000013556353 372032554 /nfs/dbraw/zinc/03/25/54/372032554.db2.gz YLUPTEYKJCDJHX-NYFCXMLFSA-N 0 3 277.324 2.690 40 30 CFEBHN CN(/N=C\c1ccc2ccccc2c1)C1=NCCCCN1 ZINC000017258510 372131431 /nfs/dbraw/zinc/13/14/31/372131431.db2.gz DVRZWFOEJOQPHX-MOSHPQCFSA-N 0 3 280.375 2.845 40 30 CFEBHN C(=NNC1=NCCCCN1)c1ccc2ccccc2c1 ZINC000031862399 372421078 /nfs/dbraw/zinc/42/10/78/372421078.db2.gz CRZIFQBLHXXMCS-UNOMPAQXSA-N 0 3 266.348 2.503 40 30 CFEBHN C=CCN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(CC)o1 ZINC000096184324 375475068 /nfs/dbraw/zinc/47/50/68/375475068.db2.gz MPIDIQYBZKAZOT-JKSUJKDBSA-N 0 3 260.381 2.677 40 30 CFEBHN C(=N\C1CCCCC1)\c1ccc(N2CCOCC2)o1 ZINC000409009243 380954044 /nfs/dbraw/zinc/95/40/44/380954044.db2.gz CIHSJOXFQAESIS-VBKFSLOCSA-N 0 3 262.353 2.868 40 30 CFEBHN C=CCN1CCC[C@@]12CCCN(C(=O)c1cccc(C)n1)C2 ZINC000096214696 393817384 /nfs/dbraw/zinc/81/73/84/393817384.db2.gz YUTWPBGKEPZTTB-GOSISDBHSA-N 0 3 299.418 2.647 40 30 CFEBHN CN1CCC(N=Nc2ccc(Br)cc2)CC1 ZINC000006792190 170244299 /nfs/dbraw/zinc/24/42/99/170244299.db2.gz QZXKLBIBRKTPLA-UHFFFAOYSA-N 0 3 282.185 2.943 40 30 CFEBHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccco1)C2 ZINC000096049994 185074288 /nfs/dbraw/zinc/07/42/88/185074288.db2.gz DPVQJQPWMSFULR-QGZVFWFLSA-N 0 3 288.391 2.813 40 30 CFEBHN Cc1cccc(C(=O)O/N=C2/C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000003900672 371824129 /nfs/dbraw/zinc/82/41/29/371824129.db2.gz WSBKLQGARDLANT-TWWIOWFMSA-N 0 3 274.364 2.868 40 30 CFEBHN C[C@@H]1CN(C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1 ZINC000005027504 170057892 /nfs/dbraw/zinc/05/78/92/170057892.db2.gz BBOGVVJGROGHRN-YPLHQEGJSA-N 0 3 278.327 2.699 40 30 CFEBHN C=CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096039591 185069491 /nfs/dbraw/zinc/06/94/91/185069491.db2.gz ZAHICDYSYFJATM-IAGOWNOFSA-N 0 3 291.391 2.853 40 30 CFEBHN Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2)n1 ZINC000585290918 348738784 /nfs/dbraw/zinc/73/87/84/348738784.db2.gz XUWCSVINGVZLEM-CQSZACIVSA-N 0 3 294.362 2.610 40 30 CFEBHN CN(C)CCN(C)CC(C)(C)C(=O)/C=C/c1ccccc1 ZINC000019364908 372156393 /nfs/dbraw/zinc/15/63/93/372156393.db2.gz PJQUFKJSEWGUPU-VAWYXSNFSA-N 0 3 288.435 2.789 40 30 CFEBHN C=CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 ZINC000096184337 375476106 /nfs/dbraw/zinc/47/61/06/375476106.db2.gz OCADXWBVOIXMDU-LSDHHAIUSA-N 0 3 290.794 2.815 40 30 CFEBHN C[C@@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-] ZINC000000271075 393449985 /nfs/dbraw/zinc/44/99/85/393449985.db2.gz UQBBTDSGUQJIBT-FXWNEQAGSA-N 0 3 277.324 2.690 40 30 CFEBHN COc1ccc(CCNCC#Cc2ccccc2)cc1OC ZINC000008493563 170338185 /nfs/dbraw/zinc/33/81/85/170338185.db2.gz UYMATTBUARITGK-UHFFFAOYSA-N 0 3 295.382 2.888 40 30 CFEBHN C=CCN1CCC[C@@]12CCCN(Cc1c(C)noc1C)C2 ZINC000096071461 185087017 /nfs/dbraw/zinc/08/70/17/185087017.db2.gz IBURBGPTAPUWCJ-QGZVFWFLSA-N 0 3 289.423 2.908 40 30 CFEBHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096050013 375469166 /nfs/dbraw/zinc/46/91/66/375469166.db2.gz AGBNDJRYSVNUAR-SFHVURJKSA-N 0 3 299.418 2.615 40 30 CFEBHN C=CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C)c(F)c1 ZINC000096184372 256805988 /nfs/dbraw/zinc/80/59/88/256805988.db2.gz QNZMJNDYICFKCP-JKSUJKDBSA-N 0 3 288.366 2.609 40 30 CFEBHN C[C@@H]1CCCCN1CCOc1cc([N+](=O)[O-])ccc1C#N ZINC000004768938 170014221 /nfs/dbraw/zinc/01/42/21/170014221.db2.gz SCKAQSZHUWKIHF-GFCCVEGCSA-N 0 3 289.335 2.720 40 30 CFEBHN COc1ccc(CCNCC#Cc2ccccc2)cc1 ZINC000008474264 170337488 /nfs/dbraw/zinc/33/74/88/170337488.db2.gz LBGUCOHHZVXJTJ-UHFFFAOYSA-N 0 3 265.356 2.879 40 30 CFEBHN C[C@H]1CN(C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-] ZINC000004866606 371875631 /nfs/dbraw/zinc/87/56/31/371875631.db2.gz UQBBTDSGUQJIBT-GTNCLJFYSA-N 0 3 277.324 2.690 40 30 CFEBHN C=CCn1ncc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000019554440 372173148 /nfs/dbraw/zinc/17/31/48/372173148.db2.gz UGDBCOZNPYYOPH-SJORKVTESA-N 0 3 289.423 2.505 40 30 CFEBHN C=CCn1ncc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000019554443 372173466 /nfs/dbraw/zinc/17/34/66/372173466.db2.gz UGDBCOZNPYYOPH-IAGOWNOFSA-N 0 3 289.423 2.505 40 30 CFEBHN O=[N+]([O-])c1ccc(/C=C/C(CC[NH+]2CCCCC2)=N/[O-])o1 ZINC000016952562 372122849 /nfs/dbraw/zinc/12/28/49/372122849.db2.gz MDPQIDUNVIMHMS-FKHNQRRLSA-N 0 3 293.323 2.907 40 30 CFEBHN CCC1S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000008337251 170331722 /nfs/dbraw/zinc/33/17/22/170331722.db2.gz ZXELOWXLULNKIB-VIFPVBQESA-N 0 3 254.742 2.969 40 30 CFEBHN COc1ccccc1CN/N=C/c1ccc(N(C)C)cc1 ZINC000020761973 171272308 /nfs/dbraw/zinc/27/23/08/171272308.db2.gz BJJOQRSWAGXOCA-LDADJPATSA-N 0 3 283.375 2.885 40 30 CFEBHN C[C@@H](CN(C)C)C(=O)/C=C/c1ccc(F)c(F)c1 ZINC000001611366 371686849 /nfs/dbraw/zinc/68/68/49/371686849.db2.gz KCCPYEKUXVMZAM-STUBTGCMSA-N 0 3 253.292 2.745 40 30 CFEBHN C=CCO[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)CCN2C1 ZINC000248131911 131110690 /nfs/dbraw/zinc/11/06/90/131110690.db2.gz YYIHLJGEJILJHH-CABCVRRESA-N 0 3 292.448 2.518 40 30 CFEBHN C[C@@H]1C/C(=N/Oc2ccccc2[N+](=O)[O-])[C@@H](C)CN1C ZINC000004866605 371875922 /nfs/dbraw/zinc/87/59/22/371875922.db2.gz UQBBTDSGUQJIBT-LUNDZONKSA-N 0 3 277.324 2.690 40 30 CFEBHN C=CC[N-]C(=S)C(C(=O)c1ccccc1)[n+]1ccccc1 ZINC000015244291 372082510 /nfs/dbraw/zinc/08/25/10/372082510.db2.gz AOLKUDJQSSJTLE-UHFFFAOYSA-O 0 3 297.403 2.689 40 30 CFEBHN C=CCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000035818596 372551781 /nfs/dbraw/zinc/55/17/81/372551781.db2.gz LLVLUNFHIUYVBD-UHFFFAOYSA-N 0 3 272.392 2.834 40 30 CFEBHN C=CCO[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096187032 375475477 /nfs/dbraw/zinc/47/54/77/375475477.db2.gz VJPWHIJKVGRGQP-ILXRZTDVSA-N 0 3 279.405 2.683 40 30 CFEBHN C=CCOc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000216920926 382785185 /nfs/dbraw/zinc/78/51/85/382785185.db2.gz ZCSSMLAHIOROPG-UHFFFAOYSA-N 0 3 274.364 2.532 40 30 CFEBHN CCCCCCCCNCc1cnc(NC)nc1 ZINC000103596217 393857396 /nfs/dbraw/zinc/85/73/96/393857396.db2.gz AZSNEESDHNSBBW-UHFFFAOYSA-N 0 3 250.390 2.968 40 30 CFEBHN N#CC(c1c(Cl)cccc1Cl)n1cncn1 ZINC000255188425 261353121 /nfs/dbraw/zinc/35/31/21/261353121.db2.gz JTLQURIKDXXULR-VIFPVBQESA-N 0 3 253.092 2.698 40 30 CFEBHN C=CCN1CCC[C@]12CCCN(C(=O)c1ccc(C)nc1)C2 ZINC000096071442 185086570 /nfs/dbraw/zinc/08/65/70/185086570.db2.gz WGNZNKDUNBFAMG-SFHVURJKSA-N 0 3 299.418 2.647 40 30 CFEBHN C=CCO[C@H]1C[C@H]2CN(Cc3ccc(C)s3)CCN2C1 ZINC000107746604 186188694 /nfs/dbraw/zinc/18/86/94/186188694.db2.gz YYIHLJGEJILJHH-GJZGRUSLSA-N 0 3 292.448 2.518 40 30 CFEBHN C=CCO/N=C1\C[C@H]2[C@@H](C[C@@]1(C)N(C)C)C2(C)C ZINC000004424650 371855535 /nfs/dbraw/zinc/85/55/35/371855535.db2.gz KDOWIRPIALEFSJ-SNCYWBTKSA-N 0 3 250.386 2.931 40 30 CFEBHN C[C@H]1CN(C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1 ZINC000013556350 372032025 /nfs/dbraw/zinc/03/20/25/372032025.db2.gz YLUPTEYKJCDJHX-VGOAHNGKSA-N 0 3 277.324 2.690 40 30 CFEBHN Cc1cccc(C(=O)O/N=C2/C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000013634894 372037443 /nfs/dbraw/zinc/03/74/43/372037443.db2.gz WSBKLQGARDLANT-OVJMFRMASA-N 0 3 274.364 2.868 40 30 CFEBHN COc1cccc(/C=C2\CC[C@H](CN(C)C)C2=O)c1 ZINC000017198777 372129552 /nfs/dbraw/zinc/12/95/52/372129552.db2.gz QXCONXOZKDRDML-KADHNRKRSA-N 0 3 259.349 2.619 40 30 CFEBHN C[C@H](CN(C)C)C(=O)/C=C\c1ccc(F)c(F)c1 ZINC000017175548 372129571 /nfs/dbraw/zinc/12/95/71/372129571.db2.gz KCCPYEKUXVMZAM-ONRRBMGISA-N 0 3 253.292 2.745 40 30 CFEBHN N#Cc1ccccc1NC(=O)CNCC1CCCCC1 ZINC000004969196 170047037 /nfs/dbraw/zinc/04/70/37/170047037.db2.gz PRRXXKSYRXVUDX-UHFFFAOYSA-N 0 3 271.364 2.667 40 30 CFEBHN Cc1ccc(C=CC(=O)C(CN(C)C)CN(C)C)cc1C ZINC000017140406 372129435 /nfs/dbraw/zinc/12/94/35/372129435.db2.gz XSDGPKZRENOEDZ-KTKRTIGZSA-N 0 3 288.435 2.625 40 30 CFEBHN C[C@@H]1CN(C)[C@H](C)C/C1=N\OC(=O)c1ccc(F)cc1 ZINC000005027503 170057533 /nfs/dbraw/zinc/05/75/33/170057533.db2.gz BBOGVVJGROGHRN-OYPIUGFMSA-N 0 3 278.327 2.699 40 30 CFEBHN CCC(=O)/C(=C\c1ccccc1)C(=O)[C@@H](C)CN(C)C ZINC000008655432 170344355 /nfs/dbraw/zinc/34/43/55/170344355.db2.gz VTXHZGOQYNVMSB-JMRXEAOASA-N 0 3 273.376 2.816 40 30 CFEBHN C#C[C@]1(O)CCCC[C@@H]1N(CC=C)Cc1ccccc1 ZINC000536553475 330365865 /nfs/dbraw/zinc/36/58/65/330365865.db2.gz DOLKZKLTOIKEFL-ROUUACIJSA-N 0 3 269.388 2.982 40 30 CFEBHN Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2)n1 ZINC000585290914 348738870 /nfs/dbraw/zinc/73/88/70/348738870.db2.gz XUWCSVINGVZLEM-AWEZNQCLSA-N 0 3 294.362 2.610 40 30 CFEBHN C=CCN(C1=NCCN1)c1c(Cl)cccc1Cl ZINC000000003723 169504595 /nfs/dbraw/zinc/50/45/95/169504595.db2.gz OXTYVEUAQHPPMV-UHFFFAOYSA-N 0 3 270.163 2.945 40 30 investigational CFEBHN CCC1S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000008337243 393469499 /nfs/dbraw/zinc/46/94/99/393469499.db2.gz JILKTMZZUGSLIZ-VIFPVBQESA-N 0 3 254.742 2.969 40 30 CFEBHN C=CCO[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000097953779 526820365 /nfs/dbraw/zinc/82/03/65/526820365.db2.gz KURTZKXJMCYIFZ-KFWWJZLASA-N 0 3 279.405 2.683 40 30 CFEBHN C=CCN1CCC[C@@]12CCCN(C(=O)c1ccc(C)o1)C2 ZINC000096071439 185086907 /nfs/dbraw/zinc/08/69/07/185086907.db2.gz ITDIMSIBTLPWHH-QGZVFWFLSA-N 0 3 288.391 2.845 40 30 CFEBHN C[C@@H]1C/C(=N\Oc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000013556348 372032183 /nfs/dbraw/zinc/03/21/83/372032183.db2.gz YLUPTEYKJCDJHX-KPYKTUGDSA-N 0 3 277.324 2.690 40 30 CFEBHN C=CCN1CCC[C@]12CCCN(C(=O)c1cccc(C)n1)C2 ZINC000096214695 393817008 /nfs/dbraw/zinc/81/70/08/393817008.db2.gz YUTWPBGKEPZTTB-SFHVURJKSA-N 0 3 299.418 2.647 40 30 CFEBHN C=CCO[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096042352 185070447 /nfs/dbraw/zinc/07/04/47/185070447.db2.gz VJPWHIJKVGRGQP-KFWWJZLASA-N 0 3 279.405 2.683 40 30 CFEBHN C=CCN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096046813 185071741 /nfs/dbraw/zinc/07/17/41/185071741.db2.gz OHDJCDNLMYIBDX-UHFFFAOYSA-N 0 3 290.432 2.749 40 30 CFEBHN C[C@H]1CCCCN1CCOc1cc([N+](=O)[O-])ccc1C#N ZINC000001661192 371691831 /nfs/dbraw/zinc/69/18/31/371691831.db2.gz SCKAQSZHUWKIHF-LBPRGKRZSA-N 0 3 289.335 2.720 40 30 CFEBHN C=CCN1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257240510 190018702 /nfs/dbraw/zinc/01/87/02/190018702.db2.gz HTUVQNYRPRPVDS-HNNXBMFYSA-N 0 3 270.376 2.845 40 30 CFEBHN C=CCn1ncc(CN2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000247848401 383197875 /nfs/dbraw/zinc/19/78/75/383197875.db2.gz UGDBCOZNPYYOPH-DLBZAZTESA-N 0 3 289.423 2.505 40 30 CFEBHN C=CCn1ncc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000247848406 383197942 /nfs/dbraw/zinc/19/79/42/383197942.db2.gz UGDBCOZNPYYOPH-IRXDYDNUSA-N 0 3 289.423 2.505 40 30 CFEBHN C[C@@H]1CN(C)[C@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1 ZINC000005355184 170089057 /nfs/dbraw/zinc/08/90/57/170089057.db2.gz YLUPTEYKJCDJHX-ZMHKRQFYSA-N 0 3 277.324 2.690 40 30 CFEBHN C=CC/N=C(/c1ccc(Cl)cc1)N1CCN(C)CC1 ZINC000255189695 328119247 /nfs/dbraw/zinc/11/92/47/328119247.db2.gz RLMMYZNNENUMFV-ICFOKQHNSA-N 0 3 277.799 2.520 40 30 CFEBHN C=CCO[C@@H]1C[C@@H]2CN(Cc3ccc(C)s3)CCN2C1 ZINC000096054976 185076040 /nfs/dbraw/zinc/07/60/40/185076040.db2.gz YYIHLJGEJILJHH-HUUCEWRRSA-N 0 3 292.448 2.518 40 30 CFEBHN C[C@H]1CCC[C@H](C)N1CCOc1cc(N)ccc1C#N ZINC000001661466 371692443 /nfs/dbraw/zinc/69/24/43/371692443.db2.gz FBASXSODSJYVLL-STQMWFEESA-N 0 3 273.380 2.782 40 30 CFEBHN CCCCCCCOc1ccc(C=NNC(=N)N)cc1 ZINC000408768805 380948603 /nfs/dbraw/zinc/94/86/03/380948603.db2.gz KLLXUMGRFWMCMC-LDADJPATSA-N 0 3 276.384 2.853 40 30 CFEBHN CCC(=O)/C(=C\c1ccccc1)C(=O)[C@H](C)CN(C)C ZINC000008655434 170344190 /nfs/dbraw/zinc/34/41/90/170344190.db2.gz VTXHZGOQYNVMSB-WDGDVPDHSA-N 0 3 273.376 2.816 40 30 CFEBHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1ccncc1)C2 ZINC000096050016 185074994 /nfs/dbraw/zinc/07/49/94/185074994.db2.gz JGOBOVWGQTXYDI-GOSISDBHSA-N 0 3 299.418 2.615 40 30 CFEBHN C=CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)s3)CCN2C1 ZINC000107746606 186189136 /nfs/dbraw/zinc/18/91/36/186189136.db2.gz YYIHLJGEJILJHH-LSDHHAIUSA-N 0 3 292.448 2.518 40 30 CFEBHN COc1cccc(/C=C2/CC[C@@H](CN(C)C)C2=O)c1 ZINC000001625852 371690041 /nfs/dbraw/zinc/69/00/41/371690041.db2.gz QXCONXOZKDRDML-XXYUJHKVSA-N 0 3 259.349 2.619 40 30 CFEBHN C[C@@H]1CN(C)[C@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-] ZINC000004866603 170033354 /nfs/dbraw/zinc/03/33/54/170033354.db2.gz UQBBTDSGUQJIBT-BJHMQSSRSA-N 0 3 277.324 2.690 40 30 CFEBHN C=CCCCCCCCCC(=O)NCCN(C)C ZINC000004983962 170048862 /nfs/dbraw/zinc/04/88/62/170048862.db2.gz RYYMATVCGPEENH-UHFFFAOYSA-N 0 3 254.418 2.971 40 30 CFEBHN N#CC(c1c(Cl)cccc1Cl)n1cncn1 ZINC000255188424 261352889 /nfs/dbraw/zinc/35/28/89/261352889.db2.gz JTLQURIKDXXULR-SECBINFHSA-N 0 3 253.092 2.698 40 30 CFEBHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096039593 185068967 /nfs/dbraw/zinc/06/89/67/185068967.db2.gz ZAHICDYSYFJATM-DLBZAZTESA-N 0 3 291.391 2.853 40 30 CFEBHN C=CCN1CCC[C@@]12CCCN(C(=O)c1occc1C)C2 ZINC000096071433 185086323 /nfs/dbraw/zinc/08/63/23/185086323.db2.gz WXWPPQAKMVESCA-QGZVFWFLSA-N 0 3 288.391 2.845 40 30 CFEBHN C=CCN1CCC[C@]12CCCN(Cc1c(C)noc1C)C2 ZINC000096071460 185087286 /nfs/dbraw/zinc/08/72/86/185087286.db2.gz IBURBGPTAPUWCJ-KRWDZBQOSA-N 0 3 289.423 2.908 40 30 CFEBHN Cc1c(/N=C2/CCCCCN2)c(=O)n(-c2ccccc2)n1C ZINC000016776866 372119920 /nfs/dbraw/zinc/11/99/20/372119920.db2.gz VUUWAXYMDDMJEE-UHFFFAOYSA-N 0 3 298.390 2.678 40 30 CFEBHN CCC1S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000008326498 281254399 /nfs/dbraw/zinc/25/43/99/281254399.db2.gz JILKTMZZUGSLIZ-SECBINFHSA-N 0 3 254.742 2.969 40 30 CFEBHN C=CCN1C(=O)CC[C@@H]2[C@@H]1CCCN2Cc1ccccc1 ZINC000095951343 185040317 /nfs/dbraw/zinc/04/03/17/185040317.db2.gz ZFHJNQIKUPEZRX-SJORKVTESA-N 0 3 284.403 2.828 40 30 CFEBHN C=CCOC[C@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096039597 185069523 /nfs/dbraw/zinc/06/95/23/185069523.db2.gz LJDVDWAGLWQZMJ-DLBZAZTESA-N 0 3 291.391 2.853 40 30 CFEBHN CN(/N=C/c1ccc2ccccc2c1)C1=NCCCCN1 ZINC000001645638 371692138 /nfs/dbraw/zinc/69/21/38/371692138.db2.gz DVRZWFOEJOQPHX-DEDYPNTBSA-N 0 3 280.375 2.845 40 30 CFEBHN C=CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000107730516 375809189 /nfs/dbraw/zinc/80/91/89/375809189.db2.gz SZLCPPFJDJPDNL-SJORKVTESA-N 0 3 291.391 2.914 40 30 CFEBHN C=CCN1[C@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@@H]21 ZINC000095951341 185039686 /nfs/dbraw/zinc/03/96/86/185039686.db2.gz PJOOVLOVRCHYDU-JYJNAYRXSA-N 0 3 270.376 2.657 40 30 CFEBHN C=CCO[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096048203 185072349 /nfs/dbraw/zinc/07/23/49/185072349.db2.gz SZLCPPFJDJPDNL-DLBZAZTESA-N 0 3 291.391 2.914 40 30 CFEBHN N#CC(C(N)=O)[C@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001581427 371682873 /nfs/dbraw/zinc/68/28/73/371682873.db2.gz BSUBFGTXOWTBKV-HZPDHXFCSA-N 0 3 292.338 2.668 40 30 CFEBHN N#CC(C(N)=O)[C@@H](CC(=O)c1ccccc1)c1ccccc1 ZINC000001581428 371683181 /nfs/dbraw/zinc/68/31/81/371683181.db2.gz BSUBFGTXOWTBKV-JKSUJKDBSA-N 0 3 292.338 2.668 40 30 CFEBHN Cc1cccc(C(=O)O/N=C2/C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000003900673 371823883 /nfs/dbraw/zinc/82/38/83/371823883.db2.gz WSBKLQGARDLANT-RGHHBTPQSA-N 0 3 274.364 2.868 40 30 CFEBHN CC[C@H](C#N)NC1CCN(Cc2ccccc2)CC1 ZINC000031343086 372408806 /nfs/dbraw/zinc/40/88/06/372408806.db2.gz XARCFSHZUKBOAM-OAHLLOKOSA-N 0 3 257.381 2.543 40 30 CFEBHN C=CCN1C(=O)CC[C@H]2[C@@H]1CCN2Cc1cccc(F)c1 ZINC000096186267 375474881 /nfs/dbraw/zinc/47/48/81/375474881.db2.gz YTOGVYGDCPVTHC-HOTGVXAUSA-N 0 3 288.366 2.577 40 30 CFEBHN C=CCN1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 ZINC000257240511 190018670 /nfs/dbraw/zinc/01/86/70/190018670.db2.gz HTUVQNYRPRPVDS-OAHLLOKOSA-N 0 3 270.376 2.845 40 30 CFEBHN CCC1S/C(=N\c2cccc(Cl)c2)NC1=O ZINC000008326504 170331276 /nfs/dbraw/zinc/33/12/76/170331276.db2.gz ZXELOWXLULNKIB-SECBINFHSA-N 0 3 254.742 2.969 40 30 CFEBHN O=[N+]([O-])c1ccc(NCCNCC#Cc2ccccc2)cc1 ZINC000008435923 170336439 /nfs/dbraw/zinc/33/64/39/170336439.db2.gz KBURWCCBKAGJRU-UHFFFAOYSA-N 0 3 295.342 2.648 40 30 CFEBHN C=CCN1CCC2(CCN(Cc3ccc(C)o3)CC2)C1=O ZINC000096046815 185073169 /nfs/dbraw/zinc/07/31/69/185073169.db2.gz RWPVSLCXJTZLHB-UHFFFAOYSA-N 0 3 288.391 2.589 40 30 CFEBHN C=CCN1C(=O)CCC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096050014 185074827 /nfs/dbraw/zinc/07/48/27/185074827.db2.gz AGBNDJRYSVNUAR-GOSISDBHSA-N 0 3 299.418 2.615 40 30 CFEBHN C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC000096110741 185100569 /nfs/dbraw/zinc/10/05/69/185100569.db2.gz ACEMWUUAXTVZNP-HZPDHXFCSA-N 0 3 288.366 2.577 40 30 CFEBHN COc1cccc(/C=C2/CC[C@H](CN(C)C)C2=O)c1 ZINC000001625850 371689544 /nfs/dbraw/zinc/68/95/44/371689544.db2.gz QXCONXOZKDRDML-RNQWEJQRSA-N 0 3 259.349 2.619 40 30 CFEBHN CCCCCCCOc1ccccc1C=NNC(=N)N ZINC000408769554 380947389 /nfs/dbraw/zinc/94/73/89/380947389.db2.gz NVMROLJDXSHYBT-LDADJPATSA-N 0 3 276.384 2.853 40 30 CFEBHN C=CCC1(N(Cc2ccccc2)[C@H](CO)C(C)C)COC1 ZINC000306145268 382453514 /nfs/dbraw/zinc/45/35/14/382453514.db2.gz AEFOIIAKFHGCGH-QGZVFWFLSA-N 0 3 289.419 2.851 40 30 CFEBHN CCC1SC(=Nc2cccc(C(C)=O)c2)NC1=O ZINC000006870756 260023984 /nfs/dbraw/zinc/02/39/84/260023984.db2.gz ONZRBDJXJSBVOE-LLVKDONJSA-N 0 3 262.334 2.518 40 30 CFEBHN C=CCOc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000216896210 189706916 /nfs/dbraw/zinc/70/69/16/189706916.db2.gz XVNBTBGUJOXERW-UHFFFAOYSA-N 0 3 288.391 2.922 40 30 CFEBHN C[C@@H]1CCC[C@H](C)N1CCOc1cc(N)ccc1C#N ZINC000001661464 371692519 /nfs/dbraw/zinc/69/25/19/371692519.db2.gz FBASXSODSJYVLL-BETUJISGSA-N 0 3 273.380 2.782 40 30 CFEBHN C[C@@H]1C/C(=N/Oc2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000005355190 371879867 /nfs/dbraw/zinc/87/98/67/371879867.db2.gz YLUPTEYKJCDJHX-PPRBZMNOSA-N 0 3 277.324 2.690 40 30 CFEBHN C=CCN1C(=O)CCC[C@@]12CCCN(Cc1ccncc1)C2 ZINC000096050015 375469044 /nfs/dbraw/zinc/46/90/44/375469044.db2.gz JGOBOVWGQTXYDI-SFHVURJKSA-N 0 3 299.418 2.615 40 30 CFEBHN C=CCOc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000216896157 382784565 /nfs/dbraw/zinc/78/45/65/382784565.db2.gz HGHIXLRKRFOWSN-UHFFFAOYSA-N 0 3 288.391 2.922 40 30 CFEBHN C[C@@H]1C/C(=N\OC(=O)c2ccc(F)cc2)[C@@H](C)CN1C ZINC000005027505 170057850 /nfs/dbraw/zinc/05/78/50/170057850.db2.gz BBOGVVJGROGHRN-UBNBHNNWSA-N 0 3 278.327 2.699 40 30 CFEBHN