smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCc1ccccc1)N1CCC[C@@H]1CN(CCO)C1CC1 ZINC000079391737 185168510 /nfs/dbraw/zinc/16/85/10/185168510.db2.gz GKQYBACIPUQSGB-QGZVFWFLSA-N 0 3 318.417 2.244 40 0 DEABHN Cc1noc(C2(C)CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 ZINC000072367347 191136715 /nfs/dbraw/zinc/13/67/15/191136715.db2.gz GZRFZXQDGCQCDD-QGZVFWFLSA-N 0 3 320.437 2.133 40 0 DEABHN Cc1cc(C)nc([C@@H]2CCN(C(=O)CN3CCCCCC3)C2)n1 ZINC000072369671 191139021 /nfs/dbraw/zinc/13/90/21/191139021.db2.gz XGSDCIFKZPVZOL-MRXNPFEDSA-N 0 3 316.449 2.285 40 0 DEABHN Cc1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1F ZINC000078529627 191879526 /nfs/dbraw/zinc/87/95/26/191879526.db2.gz SRUVHQVVVZCMCC-UHFFFAOYSA-N 0 3 314.426 2.288 40 0 DEABHN CCN1CCO[C@@H]2CN(C(=O)c3ccccc3C)CC[C@@H]2C1 ZINC000585107913 357335119 /nfs/dbraw/zinc/33/51/19/357335119.db2.gz FFTPNGJWKYZIQT-NVXWUHKLSA-N 0 3 302.418 2.178 40 0 DEABHN O[C@@]1(COc2ccc(F)cc2)COCCN(C2CCCC2)C1 ZINC000585268891 357339627 /nfs/dbraw/zinc/33/96/27/357339627.db2.gz CSPKRLYBPOPHHH-QGZVFWFLSA-N 0 3 309.381 2.210 40 0 DEABHN Cc1ncsc1-c1cc(C(=O)NC2CCN(C)CC2)ccn1 ZINC000257319455 203042998 /nfs/dbraw/zinc/04/29/98/203042998.db2.gz VSQIDDORCUUYDB-UHFFFAOYSA-N 0 3 316.430 2.338 40 0 DEABHN COc1ccc(F)c(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285207 182111598 /nfs/dbraw/zinc/11/15/98/182111598.db2.gz PLESPRQIFGMIIP-LBPRGKRZSA-N 0 3 317.364 2.216 40 0 DEABHN C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2N ZINC000019461868 182124678 /nfs/dbraw/zinc/12/46/78/182124678.db2.gz TWXVMGOZCGGXHQ-BJLQDIEVSA-N 0 3 321.424 2.321 40 0 DEABHN CN(C)CCNC(=O)CSCc1ccc(Cl)cc1F ZINC000224335987 257233001 /nfs/dbraw/zinc/23/30/01/257233001.db2.gz FIGWWAZIQBNNKW-UHFFFAOYSA-N 0 3 304.818 2.390 40 0 DEABHN Brc1cccc(-c2ccc(N3CCNCC3)nn2)c1 ZINC000071976790 401699892 /nfs/dbraw/zinc/69/98/92/401699892.db2.gz IXHCPHYCJSVWBX-UHFFFAOYSA-N 0 3 319.206 2.316 40 0 DEABHN NC(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1ccc2[nH]ccc2c1 ZINC000072366183 401710078 /nfs/dbraw/zinc/71/00/78/401710078.db2.gz DMCMYCGYLYVBRL-HNNXBMFYSA-N 0 3 309.373 2.327 40 0 DEABHN Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)N2)c1 ZINC000014606990 401812532 /nfs/dbraw/zinc/81/25/32/401812532.db2.gz YTPARIXRROLYGZ-OAHLLOKOSA-N 0 3 322.368 2.290 40 0 DEABHN COC[C@@H]1CC2(CO1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096105756 402059164 /nfs/dbraw/zinc/05/91/64/402059164.db2.gz XGXQWJWPKLNGNR-HNNXBMFYSA-N 0 3 319.401 2.433 40 0 DEABHN COc1ccc([C@@H](N)c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095533649 402033571 /nfs/dbraw/zinc/03/35/71/402033571.db2.gz SHHIZVSNSNPTCQ-MRXNPFEDSA-N 0 3 310.357 2.440 40 0 DEABHN c1csc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040596 402048924 /nfs/dbraw/zinc/04/89/24/402048924.db2.gz PWRUBLUFPVKNJE-LZWOXQAQSA-N 0 3 307.463 2.218 40 0 DEABHN COCCN1CCOC[C@@]2(CCCN(Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050998 /nfs/dbraw/zinc/05/09/98/402050998.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 0 3 322.449 2.149 40 0 DEABHN Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)s1 ZINC000096052283 402051650 /nfs/dbraw/zinc/05/16/50/402051650.db2.gz NHHCRIJOALYMQZ-WBVHZDCISA-N 0 3 324.490 2.368 40 0 DEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21)N1CCCC1 ZINC000096058264 402054380 /nfs/dbraw/zinc/05/43/80/402054380.db2.gz MZHXUVCNBOVNBQ-IXDOHACOSA-N 0 3 318.417 2.129 40 0 DEABHN COCCn1cc2c(n1)[C@@H](CNCc1ccc(F)cc1)OCC2 ZINC000096059701 402054434 /nfs/dbraw/zinc/05/44/34/402054434.db2.gz CIDAQCXJGDKXPY-MRXNPFEDSA-N 0 3 319.380 2.072 40 0 DEABHN Cc1ccc(N2CC[C@@H]3CN(Cc4cccc(C)n4)C[C@@H]3C2)nn1 ZINC000096081481 402057850 /nfs/dbraw/zinc/05/78/50/402057850.db2.gz JWBUEHYRODADCS-IAGOWNOFSA-N 0 3 323.444 2.447 40 0 DEABHN O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1ccccn1 ZINC000096239141 402073354 /nfs/dbraw/zinc/07/33/54/402073354.db2.gz LJTYDGNXKJYDNZ-SFHVURJKSA-N 0 3 308.385 2.106 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3cccs3)C2)CN1c1cncnc1 ZINC000096239200 402074281 /nfs/dbraw/zinc/07/42/81/402074281.db2.gz IEJGOMMPVBIDHK-MRXNPFEDSA-N 0 3 314.414 2.167 40 0 DEABHN CN(C)C(=O)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096157578 402063315 /nfs/dbraw/zinc/06/33/15/402063315.db2.gz MMCXTSLXFFOFFZ-UHFFFAOYSA-N 0 3 302.422 2.051 40 0 DEABHN Cn1cccc1CN1CCC2(CC(N3CCOCC3)C2)CC1 ZINC000096159229 402063563 /nfs/dbraw/zinc/06/35/63/402063563.db2.gz WAZPQLVDOOEYDN-UHFFFAOYSA-N 0 3 303.450 2.102 40 0 DEABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12)C1CC1 ZINC000096185296 402065513 /nfs/dbraw/zinc/06/55/13/402065513.db2.gz JWQBFXSFAWSZNN-OAGGEKHMSA-N 0 3 320.458 2.111 40 0 DEABHN c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@@H]2CCOC2)c1 ZINC000096200559 402068083 /nfs/dbraw/zinc/06/80/83/402068083.db2.gz RUSYQJTWRATFLC-SQNIBIBYSA-N 0 3 302.418 2.283 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccs1 ZINC000248031847 402580948 /nfs/dbraw/zinc/58/09/48/402580948.db2.gz TZDISLJCDSEHBM-UAGQMJEPSA-N 0 3 324.490 2.306 40 0 DEABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)c(Cl)c1 ZINC000191152554 402645880 /nfs/dbraw/zinc/64/58/80/402645880.db2.gz UISYAABHPOMSFF-UHFFFAOYSA-N 0 3 309.841 2.016 40 0 DEABHN CNC(=O)CN1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257247084 402708172 /nfs/dbraw/zinc/70/81/72/402708172.db2.gz IXIZMDYGLOTTFV-CQSZACIVSA-N 0 3 312.417 2.020 40 0 DEABHN CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2CCO ZINC000257203382 402702415 /nfs/dbraw/zinc/70/24/15/402702415.db2.gz APTXWXYGGDIIET-OKZBNKHCSA-N 0 3 302.418 2.195 40 0 DEABHN O[C@H]1CCCOC12CCN(CCOc1ccc(F)cc1)CC2 ZINC000257201428 402702517 /nfs/dbraw/zinc/70/25/17/402702517.db2.gz AHRAPAWICKILSP-INIZCTEOSA-N 0 3 309.381 2.210 40 0 DEABHN Cc1nc[nH]c1CN1CCC[C@H](c2ccc3cnn(C)c3n2)C1 ZINC000257208258 402703090 /nfs/dbraw/zinc/70/30/90/402703090.db2.gz BLJFNYKLKUHVLD-AWEZNQCLSA-N 0 3 310.405 2.379 40 0 DEABHN O=C(OCc1ccccc1)N1CCC[C@@]2(COCCN2)CC1 ZINC000306145610 534565216 /nfs/dbraw/zinc/56/52/16/534565216.db2.gz KMECBIMQBZPRHK-KRWDZBQOSA-N 0 3 304.390 2.168 40 0 DEABHN CN1CCC(c2nccnc2NCCC2(O)CCCC2)CC1 ZINC000072365544 191134095 /nfs/dbraw/zinc/13/40/95/191134095.db2.gz DSDUJCVIRPYZPV-UHFFFAOYSA-N 0 3 304.438 2.393 40 0 DEABHN CNC(=O)CCc1cc(C)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072366391 191135012 /nfs/dbraw/zinc/13/50/12/191135012.db2.gz WAWSOQSFVQTWFG-AWEZNQCLSA-N 0 3 304.438 2.051 40 0 DEABHN Cc1nccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)n1 ZINC000072389893 191148428 /nfs/dbraw/zinc/14/84/28/191148428.db2.gz BFCWAQQMIDJMNI-AWEZNQCLSA-N 0 3 322.372 2.220 40 0 DEABHN CN(C)Cc1cc(C2CCN(C(=O)c3ccccc3)CC2)n[nH]1 ZINC000019708936 354045181 /nfs/dbraw/zinc/04/51/81/354045181.db2.gz QXIGVDZUILCZQQ-UHFFFAOYSA-N 0 3 312.417 2.491 40 0 DEABHN O=C1CC[C@]2(CCCN(Cc3cccnc3)CC2)N1CCF ZINC000585100768 357333453 /nfs/dbraw/zinc/33/34/53/357333453.db2.gz VZUPRJRGDZBCDS-KRWDZBQOSA-N 0 3 305.397 2.398 40 0 DEABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104865 357334169 /nfs/dbraw/zinc/33/41/69/357334169.db2.gz VZOPDRGJOYRNNI-IBGZPJMESA-N 0 3 316.445 2.454 40 0 DEABHN CC(C)N1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103502 357334193 /nfs/dbraw/zinc/33/41/93/357334193.db2.gz CXNJMAXORRAGNF-SFHVURJKSA-N 0 3 302.418 2.146 40 0 DEABHN CN1CCC[C@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000585178808 357340149 /nfs/dbraw/zinc/34/01/49/357340149.db2.gz RJJSOQHNIVTABC-AWEZNQCLSA-N 0 3 317.389 2.354 40 0 DEABHN Cc1cc(OC[C@@]2(O)CN(C3CCCC3)CC[C@@H]2O)ccc1F ZINC000585281588 357343241 /nfs/dbraw/zinc/34/32/41/357343241.db2.gz LUICNGUMRNDIKW-ROUUACIJSA-N 0 3 323.408 2.253 40 0 DEABHN Cc1ccccc1OC[C@]1(O)COCCN(C2CCCC2)C1 ZINC000585277817 357343374 /nfs/dbraw/zinc/34/33/74/357343374.db2.gz YDUGWMUEWWWTNW-GOSISDBHSA-N 0 3 305.418 2.380 40 0 DEABHN CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177814 284193876 /nfs/dbraw/zinc/19/38/76/284193876.db2.gz BSBDPKZEEHABGV-RWMBFGLXSA-N 0 3 313.442 2.018 40 0 DEABHN COc1cc(OC)c([C@H](CN)N2CCC[C@H](C)C2)c(OC)c1 ZINC000062712645 257128703 /nfs/dbraw/zinc/12/87/03/257128703.db2.gz HURJVMTZXCIYKX-JSGCOSHPSA-N 0 3 308.422 2.444 40 0 DEABHN CN(C)CCOC(=O)[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000001853105 401711228 /nfs/dbraw/zinc/71/12/28/401711228.db2.gz YPVKSOYSHKHDNW-LJQANCHMSA-N 0 3 313.397 2.222 40 0 DEABHN C[C@@H](O)[C@@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000002513013 401714688 /nfs/dbraw/zinc/71/46/88/401714688.db2.gz CTTIQIOTCUBWFN-GDBMZVCRSA-N 0 3 306.406 2.100 40 0 DEABHN CN(C)C(=O)[C@H]1C[C@]2(CO1)CCCN(Cc1cccs1)C2 ZINC000096048881 402050834 /nfs/dbraw/zinc/05/08/34/402050834.db2.gz OZCJGGOLIJLVBT-GDBMZVCRSA-N 0 3 308.447 2.207 40 0 DEABHN CC(C)N1CCOC[C@@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096049720 402051225 /nfs/dbraw/zinc/05/12/25/402051225.db2.gz UTWMHJOYZMDPGD-MRXNPFEDSA-N 0 3 310.463 2.060 40 0 DEABHN Cn1cc(N2CC[C@@]3(CCN(Cc4ccsc4)C3)C2=O)cn1 ZINC000096050514 402051929 /nfs/dbraw/zinc/05/19/29/402051929.db2.gz FBEUYKHDSYCAIV-MRXNPFEDSA-N 0 3 316.430 2.111 40 0 DEABHN Cc1cccc(CO[C@H]2C[C@@H]3CN(CC4CC4)CCN3C2)n1 ZINC000096055107 402052436 /nfs/dbraw/zinc/05/24/36/402052436.db2.gz PLAAWENGSOKAHA-MSOLQXFVSA-N 0 3 301.434 2.075 40 0 DEABHN c1cc(CN2CCN3C[C@H](OCc4ccccn4)C[C@@H]3C2)co1 ZINC000096055114 402052447 /nfs/dbraw/zinc/05/24/47/402052447.db2.gz ZTYRPVKALQMTBF-QZTJIDSGSA-N 0 3 313.401 2.150 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3ccoc3)CC2)O1 ZINC000096061163 402054716 /nfs/dbraw/zinc/05/47/16/402054716.db2.gz OINLAZYPIMNDMQ-INIZCTEOSA-N 0 3 318.417 2.319 40 0 DEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096064982 402055836 /nfs/dbraw/zinc/05/58/36/402055836.db2.gz IHXWMLCYEYRLKV-ROUUACIJSA-N 0 3 319.401 2.433 40 0 DEABHN c1csc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096072749 402056469 /nfs/dbraw/zinc/05/64/69/402056469.db2.gz HGXPZIRZDGMRHM-XJKSGUPXSA-N 0 3 316.430 2.384 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076504 402057197 /nfs/dbraw/zinc/05/71/97/402057197.db2.gz WCQAJCOMFYBRJB-IBGZPJMESA-N 0 3 316.445 2.190 40 0 DEABHN COc1cccc(CC(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000096215255 402070281 /nfs/dbraw/zinc/07/02/81/402070281.db2.gz ZJJADAGCTKGAQP-GOSISDBHSA-N 0 3 302.418 2.182 40 0 DEABHN c1csc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096219341 402071299 /nfs/dbraw/zinc/07/12/99/402071299.db2.gz YZURFVWBQNALLG-XJKSGUPXSA-N 0 3 316.430 2.384 40 0 DEABHN O=C1N(c2cccnc2)CC[C@@]12CCCN(C1CCOCC1)C2 ZINC000096224519 402072206 /nfs/dbraw/zinc/07/22/06/402072206.db2.gz FCGVXYMNZHVDFK-GOSISDBHSA-N 0 3 315.417 2.080 40 0 DEABHN COc1ccc2c3c1O[C@@H]1C(OC)=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000059206758 402104154 /nfs/dbraw/zinc/10/41/54/402104154.db2.gz FQXXSQDCDRQNQE-ZNOIYHFQSA-N 0 3 311.381 2.425 40 0 endogenous,in-man DEABHN CCN(CC)Cc1cnc2n1CCN(Cc1nccs1)CC2 ZINC000096196824 402067409 /nfs/dbraw/zinc/06/74/09/402067409.db2.gz FQBQUGRRTWXAGN-UHFFFAOYSA-N 0 3 319.478 2.240 40 0 DEABHN O=C1CCC2(CCN(Cc3ccc4c(c3)CCO4)CC2)CN1 ZINC000108525764 402255346 /nfs/dbraw/zinc/25/53/46/402255346.db2.gz DALCXEXHQYOCBW-UHFFFAOYSA-N 0 3 300.402 2.114 40 0 DEABHN CC(=O)N1CCO[C@H]2CCN(Cc3c(C)cccc3C)C[C@@H]21 ZINC000108526929 402255673 /nfs/dbraw/zinc/25/56/73/402255673.db2.gz CYTYGNUKFDYPQU-ROUUACIJSA-N 0 3 302.418 2.125 40 0 DEABHN CN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3ccccc3F)CC[C@H]21 ZINC000108529517 402256503 /nfs/dbraw/zinc/25/65/03/402256503.db2.gz DZRPRSPWUNNGHV-INMHGKMJSA-N 0 3 320.408 2.141 40 0 DEABHN COc1ccc([C@H]2Nc3ncnn3[C@H](c3ccccc3)[C@@H]2N)cc1 ZINC000015830348 295251303 /nfs/dbraw/zinc/25/13/03/295251303.db2.gz IWWSVINQONJVDG-BRWVUGGUSA-N 0 3 321.384 2.370 40 0 DEABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)O1 ZINC000096052287 282121929 /nfs/dbraw/zinc/12/19/29/282121929.db2.gz RQVPTTITIYOFHS-ROUUACIJSA-N 0 3 322.424 2.137 40 0 DEABHN CC(C)N(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411122 185169881 /nfs/dbraw/zinc/16/98/81/185169881.db2.gz DHKYQQHCVPCWDL-KRWDZBQOSA-N 0 3 320.433 2.490 40 0 DEABHN Cc1cccc(-c2cc(CNC[C@H]3CCCO3)c3nnnn3c2)c1 ZINC000072392684 191150072 /nfs/dbraw/zinc/15/00/72/191150072.db2.gz NFGJGANBIMNZLG-QGZVFWFLSA-N 0 3 323.400 2.368 40 0 DEABHN COc1ccccc1/C=C/CN1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713244 354044919 /nfs/dbraw/zinc/04/49/19/354044919.db2.gz NCYSUSNWSRCATJ-HIFBNBFRSA-N 0 3 300.402 2.451 40 0 DEABHN CCn1nc(C)c(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)c1C ZINC000019713231 354045311 /nfs/dbraw/zinc/04/53/11/354045311.db2.gz CXLXNGKHUHNXGF-JKSUJKDBSA-N 0 3 304.438 2.153 40 0 DEABHN Cc1cccc(OC[C@@]2(O)COCCN(C3CCCC3)C2)c1 ZINC000585269525 357341060 /nfs/dbraw/zinc/34/10/60/357341060.db2.gz XYOMZICLPPKGFE-SFHVURJKSA-N 0 3 305.418 2.380 40 0 DEABHN CO[C@@H]1CCN(C(=O)/C=C/CN(C)C)C[C@H]1Cc1ccccc1 ZINC000585290546 357345000 /nfs/dbraw/zinc/34/50/00/357345000.db2.gz YBXVRPHRMNBWKV-CVRCPQJVSA-N 0 3 316.445 2.210 40 0 DEABHN O=c1cc(C[C@@H]2COCC[N@H+](CC3CCCCC3)C2)nc[n-]1 ZINC000257300617 203025204 /nfs/dbraw/zinc/02/52/04/203025204.db2.gz RVCAWCRJKCLSBH-HNNXBMFYSA-N 0 3 305.422 2.253 40 0 DEABHN O=c1cc(C[C@@H]2COCC[N@@H+](CC3CCCCC3)C2)nc[n-]1 ZINC000257300617 203025205 /nfs/dbraw/zinc/02/52/05/203025205.db2.gz RVCAWCRJKCLSBH-HNNXBMFYSA-N 0 3 305.422 2.253 40 0 DEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cn(C)nc3C)C2)c1 ZINC000257334381 203056841 /nfs/dbraw/zinc/05/68/41/203056841.db2.gz YFQTXEOVGOCNJC-ZDUSSCGKSA-N 0 3 313.405 2.103 40 0 DEABHN c1cc(CN2CCN(C3CCCC3)CC2)nc([C@H]2CCCO2)n1 ZINC000257316220 203041053 /nfs/dbraw/zinc/04/10/53/203041053.db2.gz VEQNXFAZPUSFEE-QGZVFWFLSA-N 0 3 316.449 2.388 40 0 DEABHN NCc1cn(-c2ccccc2C(=O)NCc2ccccc2)cn1 ZINC000257344451 203066242 /nfs/dbraw/zinc/06/62/42/203066242.db2.gz ZXFXTCKKVHBUEC-UHFFFAOYSA-N 0 3 306.369 2.261 40 0 DEABHN CC(C)NC(=O)[C@@H]1CCC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096227843 193591494 /nfs/dbraw/zinc/59/14/94/193591494.db2.gz KPFBRMRCSPOHSJ-MRXNPFEDSA-N 0 3 318.465 2.327 40 0 DEABHN Cc1cccc(N2C(=O)C[C@H](NCCCOC(C)C)C2=O)c1 ZINC000017084932 182074855 /nfs/dbraw/zinc/07/48/55/182074855.db2.gz RSFTUQHAWDOHKZ-HNNXBMFYSA-N 0 3 304.390 2.032 40 0 DEABHN Cc1nn(C)cc1CN1CCC[C@](C)(C(=O)NC2CCCC2)C1 ZINC000019746713 182141842 /nfs/dbraw/zinc/14/18/42/182141842.db2.gz XTTLINRDLJQKMW-SFHVURJKSA-N 0 3 318.465 2.389 40 0 DEABHN CCOc1ccc(Br)cc1CNCCN(C)C ZINC000022075951 182308443 /nfs/dbraw/zinc/30/84/43/182308443.db2.gz YKRLDNFGIPYAOR-UHFFFAOYSA-N 0 3 301.228 2.499 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](O)(CN)c1ccccc1 ZINC000072207999 257128224 /nfs/dbraw/zinc/12/82/24/257128224.db2.gz DBFWNSCDJLQVOI-PBHICJAKSA-N 0 3 306.406 2.232 40 0 DEABHN O=C(CC1CCCC1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107989 402059716 /nfs/dbraw/zinc/05/97/16/402059716.db2.gz BWINHHVYZLYGKW-DLBZAZTESA-N 0 3 306.450 2.136 40 0 DEABHN CCN1CCO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107962 402059831 /nfs/dbraw/zinc/05/98/31/402059831.db2.gz ZMNRIPSMZSNEHK-QFBILLFUSA-N 0 3 311.429 2.387 40 0 DEABHN CN(C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 ZINC000096038553 402048197 /nfs/dbraw/zinc/04/81/97/402048197.db2.gz HQZSSAONFCUARV-HOTGVXAUSA-N 0 3 321.852 2.190 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccs1 ZINC000096055200 402052492 /nfs/dbraw/zinc/05/24/92/402052492.db2.gz TZDISLJCDSEHBM-USXIJHARSA-N 0 3 324.490 2.306 40 0 DEABHN Cc1ccc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)o1 ZINC000096058637 402054365 /nfs/dbraw/zinc/05/43/65/402054365.db2.gz DFIBGSSMTMMWMC-CQSZACIVSA-N 0 3 313.401 2.483 40 0 DEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)o1 ZINC000096209316 402070780 /nfs/dbraw/zinc/07/07/80/402070780.db2.gz KTSCTXWLVDKGQN-CXAGYDPISA-N 0 3 315.373 2.248 40 0 DEABHN Cc1nnc(C[C@]23COC[C@H]2CN(Cc2cccs2)C3)o1 ZINC000096220621 402072198 /nfs/dbraw/zinc/07/21/98/402072198.db2.gz AEKNTLSZLVHTHK-DOMZBBRYSA-N 0 3 305.403 2.131 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228874 402072661 /nfs/dbraw/zinc/07/26/61/402072661.db2.gz LGNAMSQRGZNHGI-QGZVFWFLSA-N 0 3 322.474 2.252 40 0 DEABHN c1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 ZINC000096158989 402063389 /nfs/dbraw/zinc/06/33/89/402063389.db2.gz OVLOYDWWGGGGCN-UHFFFAOYSA-N 0 3 324.428 2.348 40 0 DEABHN Cc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000097953801 402133627 /nfs/dbraw/zinc/13/36/27/402133627.db2.gz NEVOQVPCNHNNTH-USXIJHARSA-N 0 3 302.418 2.063 40 0 DEABHN Cn1cccc1CN1CCC2(CCN(c3cccnc3)C2=O)CC1 ZINC000106824606 402216850 /nfs/dbraw/zinc/21/68/50/402216850.db2.gz QKLNAESBKSLZRT-UHFFFAOYSA-N 0 3 324.428 2.439 40 0 DEABHN CCc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1 ZINC000108525052 402255688 /nfs/dbraw/zinc/25/56/88/402255688.db2.gz DUKZWYCDWMCOTC-UHFFFAOYSA-N 0 3 322.474 2.153 40 0 DEABHN COc1ccc([C@H]2[C@@H](N)[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000169619927 402501536 /nfs/dbraw/zinc/50/15/36/402501536.db2.gz QAKWCDKFQTULHZ-BBWFWOEESA-N 0 3 321.384 2.370 40 0 DEABHN COc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)cc1 ZINC000247874312 402577525 /nfs/dbraw/zinc/57/75/25/402577525.db2.gz GASPNUSGLRSTIH-HKUYNNGSSA-N 0 3 316.445 2.380 40 0 DEABHN COc1cc([C@@H]2CNCc3cc(O)c(OC)cc32)ccc1O ZINC000024717559 286245764 /nfs/dbraw/zinc/24/57/64/286245764.db2.gz DBYFOBQHECKLQR-ZDUSSCGKSA-N 0 3 301.342 2.350 40 0 DEABHN CNc1cnc(C[C@@H]2CCCN(Cc3cncnc3)CC2)cn1 ZINC000257216017 402704440 /nfs/dbraw/zinc/70/44/40/402704440.db2.gz CSSDXUNMIJDLER-CQSZACIVSA-N 0 3 312.421 2.153 40 0 DEABHN COc1ccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)cn1 ZINC000257242886 402707697 /nfs/dbraw/zinc/70/76/97/402707697.db2.gz IEPIYTPVXIEZLI-AFIMGQEJSA-N 0 3 315.417 2.178 40 0 DEABHN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3ccccn3)C[C@H]12 ZINC000257284797 402711614 /nfs/dbraw/zinc/71/16/14/402711614.db2.gz PEJJKZKVFUPHFP-HYVNUMGLSA-N 0 3 309.417 2.218 40 0 DEABHN CN1CCC(NC(=O)c2ccc(-c3cncs3)nc2)CC1 ZINC000257333956 402712237 /nfs/dbraw/zinc/71/22/37/402712237.db2.gz YDVUHXFADCCRNC-UHFFFAOYSA-N 0 3 302.403 2.029 40 0 DEABHN Cn1nccc1CN1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257208198 402703014 /nfs/dbraw/zinc/70/30/14/402703014.db2.gz BLCSUJJFGWXYQA-BFYDXBDKSA-N 0 3 311.433 2.301 40 0 DEABHN CC(C)N(C)[C@@H]1CN(C(=O)c2cscn2)C[C@@H]2CCCO[C@H]12 ZINC000097953434 332203519 /nfs/dbraw/zinc/20/35/19/332203519.db2.gz CMYKFMOZPSNVFE-CFVMTHIKSA-N 0 3 323.462 2.103 40 0 DEABHN CCN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391684 185168667 /nfs/dbraw/zinc/16/86/67/185168667.db2.gz DKKKNTGBCSBRBJ-QGZVFWFLSA-N 0 3 320.433 2.492 40 0 DEABHN CN(CCO)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242750551 529920506 /nfs/dbraw/zinc/92/05/06/529920506.db2.gz ZSHOWMOZMRPPRU-HZPDHXFCSA-N 0 3 306.406 2.148 40 0 DEABHN CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 ZINC000173813162 198256078 /nfs/dbraw/zinc/25/60/78/198256078.db2.gz BDCBRJQWOHTLGU-UHFFFAOYSA-N 0 3 315.417 2.203 40 0 DEABHN COc1cccc(OC)c1C(=O)N1CCCC[C@@H]2[C@H]1CCN2C ZINC000019712468 354045347 /nfs/dbraw/zinc/04/53/47/354045347.db2.gz GONXNOMZARUOPS-ZIAGYGMSSA-N 0 3 318.417 2.403 40 0 DEABHN CN1CCN(c2ccc3[nH]c(-c4ccc(N)c(N)c4)nc3c2)CC1 ZINC000038287093 354166982 /nfs/dbraw/zinc/16/69/82/354166982.db2.gz QLNHNHONCDMJOL-UHFFFAOYSA-N 0 3 322.416 2.146 40 0 DEABHN CN1CCN(c2ccc3nc(-c4ccc(N)c(N)c4)[nH]c3c2)CC1 ZINC000038287093 354166988 /nfs/dbraw/zinc/16/69/88/354166988.db2.gz QLNHNHONCDMJOL-UHFFFAOYSA-N 0 3 322.416 2.146 40 0 DEABHN CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(CC2CC2)C1 ZINC000585182357 357339993 /nfs/dbraw/zinc/33/99/93/357339993.db2.gz DWDFGXWYMKEWCT-LLVKDONJSA-N 0 3 316.430 2.250 40 0 DEABHN Cc1n[nH]cc1CN1CCC(c2cc(C)n3nccc3n2)CC1 ZINC000257309123 203033391 /nfs/dbraw/zinc/03/33/91/203033391.db2.gz TZQKQKQTLFEGLQ-UHFFFAOYSA-N 0 3 310.405 2.449 40 0 DEABHN Cc1cc2nc(C3CCN(Cc4cnn(C)c4C)CC3)ccn2n1 ZINC000257292831 203018002 /nfs/dbraw/zinc/01/80/02/203018002.db2.gz QNDCMFUZMOJGPI-UHFFFAOYSA-N 0 3 324.432 2.459 40 0 DEABHN CN1CCCN(Cc2cnc([C@@]3(C)CCCCO3)nc2)CC1 ZINC000257314490 203039333 /nfs/dbraw/zinc/03/93/33/203039333.db2.gz UXFSGUGFTHWDPD-QGZVFWFLSA-N 0 3 304.438 2.030 40 0 DEABHN Clc1cccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)c1 ZINC000257324055 203046679 /nfs/dbraw/zinc/04/66/79/203046679.db2.gz WMYIVDONHAOWGC-HNNXBMFYSA-N 0 3 307.781 2.346 40 0 DEABHN CN(Cc1cnc([C@H]2CCCCO2)nc1)C1CCN(C)CC1 ZINC000257340655 203062334 /nfs/dbraw/zinc/06/23/34/203062334.db2.gz ZHBGVONKZZNDPF-MRXNPFEDSA-N 0 3 304.438 2.244 40 0 DEABHN O=C(c1cscn1)N1CCC2(CN(CC3CCCC3)C2)C1 ZINC000096070758 193521389 /nfs/dbraw/zinc/52/13/89/193521389.db2.gz JOMKYQRASBKBRR-UHFFFAOYSA-N 0 3 305.447 2.481 40 0 DEABHN Cn1nc(C2CCN(Cc3ccncc3)CC2)c2nccnc21 ZINC000019289457 182112552 /nfs/dbraw/zinc/11/25/52/182112552.db2.gz FCBUAZSXZYKSGV-UHFFFAOYSA-N 0 3 308.389 2.138 40 0 DEABHN CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccccc3)[C@H](O)[C@H]2O1 ZINC000022115929 182309380 /nfs/dbraw/zinc/30/93/80/182309380.db2.gz FXRSTNMDEDRDHF-NQNKBUKLSA-N 0 3 319.401 2.061 40 0 DEABHN COc1ccc(NCc2n[nH]c([C@@H](N)c3ccccc3)n2)cc1 ZINC000095533417 257137303 /nfs/dbraw/zinc/13/73/03/257137303.db2.gz QXMREVQHGFNFRC-INIZCTEOSA-N 0 3 309.373 2.474 40 0 DEABHN COc1ccc(NCc2n[nH]c([C@H](N)c3ccccc3)n2)cc1 ZINC000095533416 257137370 /nfs/dbraw/zinc/13/73/70/257137370.db2.gz QXMREVQHGFNFRC-MRXNPFEDSA-N 0 3 309.373 2.474 40 0 DEABHN CCOc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1OCC ZINC000027932387 401848551 /nfs/dbraw/zinc/84/85/51/401848551.db2.gz RBODBCIRYXWANJ-OAHLLOKOSA-N 0 3 318.417 2.404 40 0 DEABHN COCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220928 401850671 /nfs/dbraw/zinc/85/06/71/401850671.db2.gz IMWMMCZYOMRDOJ-CQSZACIVSA-N 0 3 310.825 2.315 40 0 DEABHN CCN1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000033526442 401891382 /nfs/dbraw/zinc/89/13/82/401891382.db2.gz YFJXJPMQFHEZTK-IXDOHACOSA-N 0 3 312.498 2.216 40 0 DEABHN Cc1occc1C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096110636 402060299 /nfs/dbraw/zinc/06/02/99/402060299.db2.gz LYCBHSTYXCJRHY-HOTGVXAUSA-N 0 3 311.385 2.187 40 0 DEABHN O=C([C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038862 402047943 /nfs/dbraw/zinc/04/79/43/402047943.db2.gz RDCPTJIUZLBWMQ-ARFHVFGLSA-N 0 3 320.458 2.207 40 0 DEABHN Cn1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cn1 ZINC000096039803 402048020 /nfs/dbraw/zinc/04/80/20/402048020.db2.gz TUDBNEXZGGSTBJ-ZWKOTPCHSA-N 0 3 319.449 2.218 40 0 DEABHN Cc1ccsc1C[N@H+]1C[C@@H]2C[C@@H](c3nnc(C)[n-]3)O[C@@H]2C1 ZINC000096045883 402050057 /nfs/dbraw/zinc/05/00/57/402050057.db2.gz UXVXKFWNFZFEEA-RWMBFGLXSA-N 0 3 304.419 2.445 40 0 DEABHN Cc1ccsc1C[N@@H+]1C[C@@H]2C[C@@H](c3nnc(C)[n-]3)O[C@@H]2C1 ZINC000096045883 402050060 /nfs/dbraw/zinc/05/00/60/402050060.db2.gz UXVXKFWNFZFEEA-RWMBFGLXSA-N 0 3 304.419 2.445 40 0 DEABHN Cn1cc([C@@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cn1 ZINC000096047803 402050809 /nfs/dbraw/zinc/05/08/09/402050809.db2.gz OTTRTLBSHWQXCN-HNNXBMFYSA-N 0 3 312.417 2.354 40 0 DEABHN Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccncc2)n1 ZINC000096054043 402052690 /nfs/dbraw/zinc/05/26/90/402052690.db2.gz GYSZRRZUGDJXEH-ROUUACIJSA-N 0 3 322.412 2.160 40 0 DEABHN COc1cccc(CC(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000096215253 402070185 /nfs/dbraw/zinc/07/01/85/402070185.db2.gz ZJJADAGCTKGAQP-SFHVURJKSA-N 0 3 302.418 2.182 40 0 DEABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)cn1 ZINC000096184595 402065299 /nfs/dbraw/zinc/06/52/99/402065299.db2.gz TXFTUSSVMUNIRP-CVEARBPZSA-N 0 3 302.447 2.330 40 0 DEABHN CC(C)N(C)Cc1cnc2n1CCN(Cc1nccs1)CC2 ZINC000096196841 402067232 /nfs/dbraw/zinc/06/72/32/402067232.db2.gz RKNMDBXAIZAPSB-UHFFFAOYSA-N 0 3 319.478 2.238 40 0 DEABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@H]3C)s1 ZINC000096201504 402068747 /nfs/dbraw/zinc/06/87/47/402068747.db2.gz MJERWACMQSQKSF-ZDUSSCGKSA-N 0 3 308.447 2.268 40 0 DEABHN c1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000107226383 402227873 /nfs/dbraw/zinc/22/78/73/402227873.db2.gz RDRFNLKMUOMENY-SJLPKXTDSA-N 0 3 310.401 2.322 40 0 DEABHN CNc1ccc(C[C@@H]2CCCN(Cc3cnn(C)c3C)C2)nn1 ZINC000257250489 402708929 /nfs/dbraw/zinc/70/89/29/402708929.db2.gz JMSQAWHTGKQUII-AWEZNQCLSA-N 0 3 314.437 2.015 40 0 DEABHN CCCN1CCN(C(=O)c2cc([C@@H]3CCCN3C)ccn2)CC1 ZINC000257257201 402709275 /nfs/dbraw/zinc/70/92/75/402709275.db2.gz KONCCMSVUMRTNG-KRWDZBQOSA-N 0 3 316.449 2.016 40 0 DEABHN CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)C3CCCC3)C2)c1 ZINC000257258370 402709700 /nfs/dbraw/zinc/70/97/00/402709700.db2.gz KTOQFHDYEFSLAF-CYBMUJFWSA-N 0 3 323.462 2.493 40 0 DEABHN Cc1cccc(CN2Cc3ccnn3[C@@H](CN3CCCC3)C2)n1 ZINC000306143978 403950981 /nfs/dbraw/zinc/95/09/81/403950981.db2.gz YSMCIIXUXSCWCT-SFHVURJKSA-N 0 3 311.433 2.239 40 0 DEABHN C[C@H]1CCCCN1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000000806698 1076947767 /nfs/dbraw/zinc/94/77/67/1076947767.db2.gz LUAGHFHLRIJNDM-INIZCTEOSA-N 0 3 301.434 2.210 40 0 DEABHN Cc1nccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 ZINC000072389894 191147230 /nfs/dbraw/zinc/14/72/30/191147230.db2.gz BFCWAQQMIDJMNI-CQSZACIVSA-N 0 3 322.372 2.220 40 0 DEABHN COc1cccc(C(=O)N2CCCC[C@@H]3[C@H]2CCN3C)c1OC ZINC000019712571 354044713 /nfs/dbraw/zinc/04/47/13/354044713.db2.gz NHSJPUDRAZZWKI-HUUCEWRRSA-N 0 3 318.417 2.403 40 0 DEABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000081238764 192240418 /nfs/dbraw/zinc/24/04/18/192240418.db2.gz LGVQGQYVQSZEBD-ZIAGYGMSSA-N 0 3 317.433 2.495 40 0 DEABHN Cc1ccc2cc(CNC[C@H](O)COC(C)C)c(=O)[nH]c2c1 ZINC000585291675 357345564 /nfs/dbraw/zinc/34/55/64/357345564.db2.gz BAGSFKYBVPPWQC-HNNXBMFYSA-N 0 3 304.390 2.124 40 0 DEABHN Cc1ccccc1[C@H]1CN(CCC(F)(F)F)[C@H](CO)[C@@H]1O ZINC000585295383 357346283 /nfs/dbraw/zinc/34/62/83/357346283.db2.gz XKEKNLIAZJAVSL-MGPQQGTHSA-N 0 3 303.324 2.068 40 0 DEABHN O=c1cc(C[C@H]2COCC[N@H+](CC3CCCCC3)C2)nc[n-]1 ZINC000257300618 203025188 /nfs/dbraw/zinc/02/51/88/203025188.db2.gz RVCAWCRJKCLSBH-OAHLLOKOSA-N 0 3 305.422 2.253 40 0 DEABHN O=c1cc(C[C@H]2COCC[N@@H+](CC3CCCCC3)C2)nc[n-]1 ZINC000257300618 203025191 /nfs/dbraw/zinc/02/51/91/203025191.db2.gz RVCAWCRJKCLSBH-OAHLLOKOSA-N 0 3 305.422 2.253 40 0 DEABHN Clc1ccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)cc1 ZINC000257306343 203032931 /nfs/dbraw/zinc/03/29/31/203032931.db2.gz STXBUBRRGVGLDH-HNNXBMFYSA-N 0 3 307.781 2.346 40 0 DEABHN CC(=O)N1CCC(N2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257309663 203034197 /nfs/dbraw/zinc/03/41/97/203034197.db2.gz UBWCWEQYSNYWPJ-QGZVFWFLSA-N 0 3 316.449 2.295 40 0 DEABHN Cc1nc([C@@H]2CCCN2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000257321795 203045904 /nfs/dbraw/zinc/04/59/04/203045904.db2.gz WDGNBKNPCBGZAZ-HNNXBMFYSA-N 0 3 314.364 2.279 40 0 DEABHN CN(C)Cc1cncc([C@H]2CCCN2CC2CCOCC2)n1 ZINC000257322875 203047131 /nfs/dbraw/zinc/04/71/31/203047131.db2.gz WHUCOSHFRLMHSX-QGZVFWFLSA-N 0 3 304.438 2.102 40 0 DEABHN Cc1nc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)cc(=O)[nH]1 ZINC000019285231 182111988 /nfs/dbraw/zinc/11/19/88/182111988.db2.gz ZXYNEDSDOQHITQ-LBPRGKRZSA-N 0 3 305.328 2.346 40 0 DEABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(Cc2ccncc2)C3)C1 ZINC000019588694 182132517 /nfs/dbraw/zinc/13/25/17/182132517.db2.gz QAWKRTQTDNDLOD-MRXNPFEDSA-N 0 3 323.444 2.239 40 0 DEABHN CNc1nc(C)c(C(=O)NCC(C)(C)N2CCCCC2)s1 ZINC000019656577 182134261 /nfs/dbraw/zinc/13/42/61/182134261.db2.gz AYAPWOOCSVTUJG-UHFFFAOYSA-N 0 3 310.467 2.488 40 0 DEABHN CC(=O)N[C@H]1[C@H](c2ccccc2)N(CC2CC2)CC[C@@]1(C)O ZINC000514289336 257216792 /nfs/dbraw/zinc/21/67/92/257216792.db2.gz IJVDRDAHAWWBJE-OKZBNKHCSA-N 0 3 302.418 2.099 40 0 biogenic,in-vitro DEABHN Cc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@H]2C1 ZINC000096040980 402048919 /nfs/dbraw/zinc/04/89/19/402048919.db2.gz NEVOQVPCNHNNTH-XIRDDKMYSA-N 0 3 302.418 2.063 40 0 DEABHN COCC(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 ZINC000096051601 402052062 /nfs/dbraw/zinc/05/20/62/402052062.db2.gz YYAGONOAKUADSA-HNNXBMFYSA-N 0 3 306.406 2.129 40 0 DEABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096076253 402057193 /nfs/dbraw/zinc/05/71/93/402057193.db2.gz KTUIDGIHAALMET-GOSISDBHSA-N 0 3 317.433 2.045 40 0 DEABHN Cc1nnc(C[C@@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)o1 ZINC000096215647 402070720 /nfs/dbraw/zinc/07/07/20/402070720.db2.gz LYXPDOWHJHXSEO-MRVWCRGKSA-N 0 3 305.403 2.129 40 0 DEABHN CN(C)C(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096215526 402070754 /nfs/dbraw/zinc/07/07/54/402070754.db2.gz WRMWIKZDWHHYIZ-KRWDZBQOSA-N 0 3 302.422 2.051 40 0 DEABHN CC(C)NC(=O)[C@H]1CCC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096227844 402072641 /nfs/dbraw/zinc/07/26/41/402072641.db2.gz KPFBRMRCSPOHSJ-INIZCTEOSA-N 0 3 318.465 2.327 40 0 DEABHN Cc1cc(C)cc(CN2C[C@@H]3[C@H](C2)OCCN3c2cnccn2)c1 ZINC000096248890 402074304 /nfs/dbraw/zinc/07/43/04/402074304.db2.gz NSOJFEKPLOQGKP-MSOLQXFVSA-N 0 3 324.428 2.183 40 0 DEABHN c1csc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107226377 402227843 /nfs/dbraw/zinc/22/78/43/402227843.db2.gz YZURFVWBQNALLG-CZUORRHYSA-N 0 3 316.430 2.384 40 0 DEABHN Cc1ccc(CN2CCC[C@@]3(CO[C@H](C(=O)N(C)C)C3)C2)o1 ZINC000107732064 402239567 /nfs/dbraw/zinc/23/95/67/402239567.db2.gz NMHRLHSWSBKWEE-RDJZCZTQSA-N 0 3 306.406 2.047 40 0 DEABHN COCCN1CCO[C@H]2CCN(Cc3ccc(F)cc3C)C[C@@H]21 ZINC000108526945 402255879 /nfs/dbraw/zinc/25/58/79/402255879.db2.gz SRCWWBGJGSHORH-ROUUACIJSA-N 0 3 322.424 2.056 40 0 DEABHN NC[C@H]1CCN(c2ccccc2Oc2ccccc2)S1(=O)=O ZINC000222546243 402307982 /nfs/dbraw/zinc/30/79/82/402307982.db2.gz GCKXCWGGJJIXPJ-CQSZACIVSA-N 0 3 318.398 2.346 40 0 DEABHN CCn1cc(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)cn1 ZINC000257237065 402707148 /nfs/dbraw/zinc/70/71/48/402707148.db2.gz HEZYVIXZBHNHQS-RDJZCZTQSA-N 0 3 304.438 2.316 40 0 DEABHN CNC(=O)c1cccc([C@@H]2CN(C3CCCC3)CCN2C)c1 ZINC000257271452 402711621 /nfs/dbraw/zinc/71/16/21/402711621.db2.gz MYKAHYLZBDJYCB-KRWDZBQOSA-N 0 3 301.434 2.277 40 0 DEABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052274 282135840 /nfs/dbraw/zinc/13/58/40/282135840.db2.gz YUIPJUFKZGTYBD-GDBMZVCRSA-N 0 3 310.463 2.060 40 0 DEABHN CCN(C[C@@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411064 185169818 /nfs/dbraw/zinc/16/98/18/185169818.db2.gz ZLOXJDXAKNXVQG-QGZVFWFLSA-N 0 3 320.433 2.349 40 0 DEABHN CC(C)[C@H](N)C(=O)N(C[C@@H]1COc2ccccc2O1)C(C)C ZINC000079418820 185170957 /nfs/dbraw/zinc/17/09/57/185170957.db2.gz JJJFXNXUCQSIRQ-CJNGLKHVSA-N 0 3 306.406 2.047 40 0 DEABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404508 185169434 /nfs/dbraw/zinc/16/94/34/185169434.db2.gz VHTNRLHRFKFGFR-DOTOQJQBSA-N 0 3 303.450 2.235 40 0 DEABHN COc1ccc(CN[C@@H]2[C@@H](c3ccccc3)C[C@@H](O)[C@H]2O)cc1 ZINC000072321863 191121934 /nfs/dbraw/zinc/12/19/34/191121934.db2.gz RERGMTNJEIURDY-NCXUSEDFSA-N 0 3 313.397 2.063 40 0 biogenic,in-vitro DEABHN NC(=O)CCc1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072360462 191131735 /nfs/dbraw/zinc/13/17/35/191131735.db2.gz PYHISXNWJKHTNG-UHFFFAOYSA-N 0 3 324.428 2.274 40 0 DEABHN Cn1cc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccc(F)cc21 ZINC000257222183 202954916 /nfs/dbraw/zinc/95/49/16/202954916.db2.gz DSHIWZSSHZRIRK-ROUUACIJSA-N 0 3 318.392 2.433 40 0 DEABHN CN(C)c1nc(C2CC[NH+](Cc3ccccn3)CC2)cc(=O)[n-]1 ZINC000019585134 182132458 /nfs/dbraw/zinc/13/24/58/182132458.db2.gz FJAJFKUBKVBQSM-UHFFFAOYSA-N 0 3 313.405 2.023 40 0 DEABHN COc1cc(CNCCN(C)C)cc(Br)c1OC ZINC000022076098 182308204 /nfs/dbraw/zinc/30/82/04/182308204.db2.gz ZXOLLVOFROOVBB-UHFFFAOYSA-N 0 3 317.227 2.118 40 0 DEABHN O=C([C@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096041148 256553121 /nfs/dbraw/zinc/55/31/21/256553121.db2.gz ZBTWXTHTPWRENF-OKZBNKHCSA-N 0 3 314.429 2.146 40 0 DEABHN Cn1nc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3C)c2ccccc21 ZINC000000000347 401687439 /nfs/dbraw/zinc/68/74/39/401687439.db2.gz MFWNKCLOYSRHCJ-AGUYFDCRSA-N 0 3 312.417 2.318 40 0 fda DEABHN COc1cccc(OC)c1OC[C@@H](O)CN1CCC(C)CC1 ZINC000001469940 401707818 /nfs/dbraw/zinc/70/78/18/401707818.db2.gz JTVSWQOBWROFQU-AWEZNQCLSA-N 0 3 309.406 2.175 40 0 DEABHN O=C(c1ccsc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053814 402051941 /nfs/dbraw/zinc/05/19/41/402051941.db2.gz QMXPNEVRFAAXFV-GJZGRUSLSA-N 0 3 313.426 2.347 40 0 DEABHN c1coc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055021 402052708 /nfs/dbraw/zinc/05/27/08/402052708.db2.gz ADWRFSHBGVCHRA-FUHWJXTLSA-N 0 3 313.401 2.150 40 0 DEABHN CN(C)CCO[C@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096057453 402053342 /nfs/dbraw/zinc/05/33/42/402053342.db2.gz FJCKEDGBPJKYGA-SQNIBIBYSA-N 0 3 322.424 2.136 40 0 DEABHN COCCn1cc2c(n1)[C@@H](CNCc1ccc(C)s1)OCC2 ZINC000096059698 402054481 /nfs/dbraw/zinc/05/44/81/402054481.db2.gz PDGLOZHKCOTALI-OAHLLOKOSA-N 0 3 321.446 2.303 40 0 DEABHN O=C(c1n[nH]c2c1CN(Cc1cccs1)CC2)N1CC=CC1 ZINC000096066594 402055857 /nfs/dbraw/zinc/05/58/57/402055857.db2.gz DYZVKMUAWHOSAF-UHFFFAOYSA-N 0 3 314.414 2.042 40 0 DEABHN O=C1N(c2cccnc2)CC[C@]12CCCN(C1CCOCC1)C2 ZINC000096224518 402071652 /nfs/dbraw/zinc/07/16/52/402071652.db2.gz FCGVXYMNZHVDFK-SFHVURJKSA-N 0 3 315.417 2.080 40 0 DEABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)o1 ZINC000096245498 402073728 /nfs/dbraw/zinc/07/37/28/402073728.db2.gz XCABEXJAPJJINF-CHWSQXEVSA-N 0 3 317.414 2.249 40 0 DEABHN Cc1nc(NC(C)C)nc2c1CN(CC1CCOCC1)CC2 ZINC000096253918 402074848 /nfs/dbraw/zinc/07/48/48/402074848.db2.gz BYASCPBSOMQYCB-UHFFFAOYSA-N 0 3 304.438 2.390 40 0 DEABHN COc1ccc(S[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 ZINC000054148159 402063257 /nfs/dbraw/zinc/06/32/57/402063257.db2.gz RWYUNSMVKYSZII-LBPRGKRZSA-N 0 3 308.447 2.386 40 0 DEABHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccc(C)n2)nn1 ZINC000096184860 402065331 /nfs/dbraw/zinc/06/53/31/402065331.db2.gz CAHDQUXPOWSWQU-SJORKVTESA-N 0 3 309.417 2.342 40 0 DEABHN c1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)nc1 ZINC000096184803 402065427 /nfs/dbraw/zinc/06/54/27/402065427.db2.gz YOYFXKDQEPNCCL-CABCVRRESA-N 0 3 324.384 2.059 40 0 DEABHN C[C@@H]1N(C)C(=O)COC12CCN(Cc1cccc(F)c1)CC2 ZINC000096201525 402068945 /nfs/dbraw/zinc/06/89/45/402068945.db2.gz VNGCJWYNZNFQFC-ZDUSSCGKSA-N 0 3 306.381 2.037 40 0 DEABHN Cc1nc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c[nH]1 ZINC000108532429 402256714 /nfs/dbraw/zinc/25/67/14/402256714.db2.gz GXJHQNWHKRKBQD-SJLPKXTDSA-N 0 3 316.449 2.333 40 0 DEABHN Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)[nH]1 ZINC000108532429 402256717 /nfs/dbraw/zinc/25/67/17/402256717.db2.gz GXJHQNWHKRKBQD-SJLPKXTDSA-N 0 3 316.449 2.333 40 0 DEABHN COc1ccc2c3c1O[C@H]1C(OC)=CC=C4[C@H](C2)N(C)CC[C@]341 ZINC000071787460 402277484 /nfs/dbraw/zinc/27/74/84/402277484.db2.gz FQXXSQDCDRQNQE-FASAQXTFSA-N 0 3 311.381 2.425 40 0 biogenic,in-vitro DEABHN NC[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)S1(=O)=O ZINC000222545159 402307793 /nfs/dbraw/zinc/30/77/93/402307793.db2.gz IMBWCCNIBIKTRS-INIZCTEOSA-N 0 3 318.398 2.346 40 0 DEABHN CC(C)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC000248148666 402583390 /nfs/dbraw/zinc/58/33/90/402583390.db2.gz FVRRYZJZLFNMDK-DLBZAZTESA-N 0 3 322.474 2.072 40 0 DEABHN CN1CCCC[C@]1(C)C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257240420 402707629 /nfs/dbraw/zinc/70/76/29/402707629.db2.gz HTJWMAKCVXPISU-QGZVFWFLSA-N 0 3 304.438 2.164 40 0 DEABHN O[C@H]1CN(CCCOc2ccccc2F)CC[C@@]12CCCO2 ZINC000257268031 402710500 /nfs/dbraw/zinc/71/05/00/402710500.db2.gz MJYPXFWOKJJIJT-IRXDYDNUSA-N 0 3 309.381 2.210 40 0 DEABHN CC(C)Oc1ccc([C@@H]2CNCCN2Cc2c[nH]cn2)cc1 ZINC000257204545 402702401 /nfs/dbraw/zinc/70/24/01/402702401.db2.gz AVCKOSBADKTXKY-KRWDZBQOSA-N 0 3 300.406 2.343 40 0 DEABHN OCCN1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096241326 275046766 /nfs/dbraw/zinc/04/67/66/275046766.db2.gz OEQWKTYZVVDLED-UHFFFAOYSA-N 0 3 323.440 2.428 40 0 DEABHN c1csc(CN[C@H]2CCc3nc(N4CCCC4)ncc3C2)n1 ZINC000306137995 534521932 /nfs/dbraw/zinc/52/19/32/534521932.db2.gz RLUNHIYPAGBSMH-ZDUSSCGKSA-N 0 3 315.446 2.180 40 0 DEABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391273 185168252 /nfs/dbraw/zinc/16/82/52/185168252.db2.gz DOVPZTAIJAVTKW-YNEHKIRRSA-N 0 3 313.442 2.018 40 0 DEABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N(C(C)C)C3)C2)c1 ZINC000585104866 357334308 /nfs/dbraw/zinc/33/43/08/357334308.db2.gz VZOPDRGJOYRNNI-LJQANCHMSA-N 0 3 316.445 2.454 40 0 DEABHN CC(=O)N[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1Cc1ccccc1 ZINC000585275116 357342354 /nfs/dbraw/zinc/34/23/54/357342354.db2.gz XDWLGRJWDVFWCI-ROUUACIJSA-N 0 3 312.417 2.122 40 0 DEABHN OCCOc1cccc(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257213625 202951050 /nfs/dbraw/zinc/95/10/50/202951050.db2.gz CIJSARDJTSIAIL-MRXNPFEDSA-N 0 3 313.401 2.227 40 0 DEABHN Cc1csc(Nc2cc([C@@H]3CCN(CCO)C3)nc(C)n2)n1 ZINC000257310053 203034276 /nfs/dbraw/zinc/03/42/76/203034276.db2.gz UDMUIPIMGTVSCV-GFCCVEGCSA-N 0 3 319.434 2.075 40 0 DEABHN c1ccc(-c2cc(CNC[C@@H]3CCCO3)c3nnnn3c2)cc1 ZINC000019374021 182120503 /nfs/dbraw/zinc/12/05/03/182120503.db2.gz LMNKUFJXBLFTIZ-INIZCTEOSA-N 0 3 309.373 2.060 40 0 DEABHN O=C1C[C@@H](NCCc2cccs2)C(=O)N1c1ccc(F)cc1 ZINC000020479815 182222230 /nfs/dbraw/zinc/22/22/30/182222230.db2.gz FSNYZAJDMAPNFT-CQSZACIVSA-N 0 3 318.373 2.351 40 0 DEABHN CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccccc1 ZINC000021986850 182301695 /nfs/dbraw/zinc/30/16/95/182301695.db2.gz CTCIRCSKMRHDGN-UHFFFAOYSA-N 0 3 317.414 2.396 40 0 DEABHN O=C1CC2(CCN(CCO)CC2)c2ccccc2N1CC1CC1 ZINC000096243955 296314721 /nfs/dbraw/zinc/31/47/21/296314721.db2.gz YEQAJFXKWRNAEP-UHFFFAOYSA-N 0 3 314.429 2.159 40 0 DEABHN COCCN1CCC2(C[C@@H](N(C)c3ccccc3)CO2)CC1 ZINC000257310415 285014124 /nfs/dbraw/zinc/01/41/24/285014124.db2.gz UEZOOMGTNQSXRN-QGZVFWFLSA-N 0 3 304.434 2.393 40 0 DEABHN CC(=O)N1CCN(c2ccc([C@@H](N)c3ccccc3)c(C)n2)CC1 ZINC000072224787 257123761 /nfs/dbraw/zinc/12/37/61/257123761.db2.gz FBDOULYTEWWLEW-IBGZPJMESA-N 0 3 324.428 2.107 40 0 DEABHN O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(Cc1ccccc1)C1CC1 ZINC000001640681 401708900 /nfs/dbraw/zinc/70/89/00/401708900.db2.gz CFCSBBISFREYTC-PKOBYXMFSA-N 0 3 315.413 2.008 40 0 DEABHN CN1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 ZINC000096045169 402049433 /nfs/dbraw/zinc/04/94/33/402049433.db2.gz HVPRNOWWUJVPDP-MRXNPFEDSA-N 0 3 319.449 2.265 40 0 DEABHN c1cc(CN2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)co1 ZINC000096055027 402052455 /nfs/dbraw/zinc/05/24/55/402052455.db2.gz NJHFQNBCGMPLHH-QZTJIDSGSA-N 0 3 313.401 2.150 40 0 DEABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3ccsc3)CC2)O1 ZINC000096061125 402054740 /nfs/dbraw/zinc/05/47/40/402054740.db2.gz OKKXLPVREXMJCF-CQSZACIVSA-N 0 3 308.447 2.350 40 0 DEABHN COCCN1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1 ZINC000096081405 402057832 /nfs/dbraw/zinc/05/78/32/402057832.db2.gz KNQPRNLPOQIEAO-JKSUJKDBSA-N 0 3 302.418 2.035 40 0 DEABHN COCCN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1=O ZINC000096224038 402072132 /nfs/dbraw/zinc/07/21/32/402072132.db2.gz UXOIHGHIALBEED-SFHVURJKSA-N 0 3 320.408 2.287 40 0 DEABHN CC(C)CN1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244109 402074026 /nfs/dbraw/zinc/07/40/26/402074026.db2.gz RZEYEOOOVAKSOF-SFHVURJKSA-N 0 3 316.449 2.428 40 0 DEABHN O=C(c1cccnc1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202766 402068969 /nfs/dbraw/zinc/06/89/69/402068969.db2.gz GIMOUOBLXZFHSM-UHFFFAOYSA-N 0 3 313.426 2.491 40 0 DEABHN CNc1cnc(C[C@H]2CCCN(Cc3[nH]cnc3C)CC2)cn1 ZINC000257246421 402708051 /nfs/dbraw/zinc/70/80/51/402708051.db2.gz IUBHYRMUBJCROS-AWEZNQCLSA-N 0 3 314.437 2.395 40 0 DEABHN c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCOCC2)c1 ZINC000253479038 402667526 /nfs/dbraw/zinc/66/75/26/402667526.db2.gz OIKWPODUUSYQHE-KSZLIROESA-N 0 3 304.434 2.394 40 0 DEABHN CN1CCCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)CC1 ZINC000272516308 277047948 /nfs/dbraw/zinc/04/79/48/277047948.db2.gz NCVVFLFICXEPCH-HNNXBMFYSA-N 0 3 321.396 2.387 40 0 DEABHN O=C(OCc1ccccc1)N(C[C@H]1CCN(CCO)C1)C1CC1 ZINC000079411257 185169954 /nfs/dbraw/zinc/16/99/54/185169954.db2.gz SAYFEELLMPJZDY-INIZCTEOSA-N 0 3 318.417 2.102 40 0 DEABHN O=C(OCc1ccccc1)N1CCC[C@@H](N(CCO)C2CC2)C1 ZINC000079391744 185168417 /nfs/dbraw/zinc/16/84/17/185168417.db2.gz OISJMILIJKPZRF-QGZVFWFLSA-N 0 3 318.417 2.244 40 0 DEABHN c1cn(-c2cncc(C3CCN(Cc4ccccn4)CC3)n2)cn1 ZINC000072355426 191128767 /nfs/dbraw/zinc/12/87/67/191128767.db2.gz ZRVMSLZYTWIQGQ-UHFFFAOYSA-N 0 3 320.400 2.437 40 0 DEABHN CNCC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072383001 191142087 /nfs/dbraw/zinc/14/20/87/191142087.db2.gz UQYBTSWOEJUNID-GFCCVEGCSA-N 0 3 317.418 2.165 40 0 DEABHN CC1CCN(C(=O)c2cnc(C[C@H]3CCCN(C)C3)cn2)CC1 ZINC000072387200 191144712 /nfs/dbraw/zinc/14/47/12/191144712.db2.gz PZWJUJPTMUHPAT-OAHLLOKOSA-N 0 3 316.449 2.233 40 0 DEABHN CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000072849867 191237574 /nfs/dbraw/zinc/23/75/74/191237574.db2.gz YGZXGSRLBDDYTM-UHFFFAOYSA-N 0 3 317.433 2.353 40 0 DEABHN OCCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1F ZINC000006529471 181351141 /nfs/dbraw/zinc/35/11/41/181351141.db2.gz ZEZLDTKVELRIGV-MRXNPFEDSA-N 0 3 319.376 2.060 40 0 DEABHN c1cncc(CN2CCC3(CO[C@@H](Cc4cnccn4)C3)CC2)c1 ZINC000257340881 203061763 /nfs/dbraw/zinc/06/17/63/203061763.db2.gz ZHXJESYVNVGXKS-SFHVURJKSA-N 0 3 324.428 2.485 40 0 DEABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391274 284227482 /nfs/dbraw/zinc/22/74/82/284227482.db2.gz DOVPZTAIJAVTKW-XQQFMLRXSA-N 0 3 313.442 2.018 40 0 DEABHN CCOC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000063145249 184273693 /nfs/dbraw/zinc/27/36/93/184273693.db2.gz NHVOIGDWQGBVOI-UHFFFAOYSA-N 0 3 321.446 2.244 40 0 DEABHN COc1cccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1OC ZINC000046882616 401974994 /nfs/dbraw/zinc/97/49/94/401974994.db2.gz IVLABNYEXCOFJT-ZIAGYGMSSA-N 0 3 320.433 2.412 40 0 DEABHN Cn1cc(CN2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cn1 ZINC000096109359 402059494 /nfs/dbraw/zinc/05/94/94/402059494.db2.gz WQFQJEOQPFXQCL-AEFFLSMTSA-N 0 3 312.417 2.496 40 0 DEABHN O=C(C1CCOCC1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096046499 402050556 /nfs/dbraw/zinc/05/05/56/402050556.db2.gz BRMRZPWJYXXQKR-UHFFFAOYSA-N 0 3 320.458 2.209 40 0 DEABHN COCCC(=O)N1CCC2(CN(Cc3ccccc3C)C2)C1 ZINC000096070743 402056287 /nfs/dbraw/zinc/05/62/87/402056287.db2.gz ANQNVIHVHCMHPZ-UHFFFAOYSA-N 0 3 302.418 2.066 40 0 DEABHN c1cnc(NCc2[nH]nc3c2CCN(CC2CCCC2)C3)nc1 ZINC000096084124 402057714 /nfs/dbraw/zinc/05/77/14/402057714.db2.gz JAZYSHNHOOZYND-UHFFFAOYSA-N 0 3 312.421 2.360 40 0 DEABHN c1cnc(NCc2n[nH]c3c2CCN(CC2CCCC2)C3)nc1 ZINC000096084124 402057716 /nfs/dbraw/zinc/05/77/16/402057716.db2.gz JAZYSHNHOOZYND-UHFFFAOYSA-N 0 3 312.421 2.360 40 0 DEABHN Cn1cc(N2CC[C@]3(CCCN(Cc4ccoc4)C3)C2=O)cn1 ZINC000096224622 402072717 /nfs/dbraw/zinc/07/27/17/402072717.db2.gz NJUGVZIJIXNMIQ-KRWDZBQOSA-N 0 3 314.389 2.032 40 0 DEABHN Cn1cccc1C(=O)N1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC000096161557 402064153 /nfs/dbraw/zinc/06/41/53/402064153.db2.gz LKQLTEWFTNOOEZ-OKILXGFUSA-N 0 3 315.442 2.291 40 0 DEABHN CCc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@H]3C)o1 ZINC000096201502 402068892 /nfs/dbraw/zinc/06/88/92/402068892.db2.gz NUSBBEJMOQTPHP-ZDUSSCGKSA-N 0 3 306.406 2.054 40 0 DEABHN CCOC(=O)c1ccc(NC(=S)NCCN(C)C)c(C)c1 ZINC000225404147 402316522 /nfs/dbraw/zinc/31/65/22/402316522.db2.gz KZBLCWRNNUKCED-UHFFFAOYSA-N 0 3 309.435 2.020 40 0 DEABHN CN(C)C[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 ZINC000248137271 402583674 /nfs/dbraw/zinc/58/36/74/402583674.db2.gz RXZZXYPXGRKMPH-MRXNPFEDSA-N 0 3 302.422 2.219 40 0 DEABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccnc3)C2)n1 ZINC000257245353 402708184 /nfs/dbraw/zinc/70/81/84/402708184.db2.gz IPCNBYVRNWKXBP-OAHLLOKOSA-N 0 3 310.401 2.481 40 0 DEABHN Cc1cc(C(=O)N2CC[C@@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257268945 402710387 /nfs/dbraw/zinc/71/03/87/402710387.db2.gz MNXAAQANZJTDJX-CYBMUJFWSA-N 0 3 314.389 2.382 40 0 DEABHN COCCN1CCC(c2cc(-c3ccnn3C)nc(C)n2)CC1 ZINC000257285773 402711432 /nfs/dbraw/zinc/71/14/32/402711432.db2.gz PIUQRZHNXCCCQW-UHFFFAOYSA-N 0 3 315.421 2.011 40 0 DEABHN C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2N ZINC000253591737 402669965 /nfs/dbraw/zinc/66/99/65/402669965.db2.gz TWXVMGOZCGGXHQ-HBFSDRIKSA-N 0 3 321.424 2.321 40 0 DEABHN CC(C)Oc1ccc([C@H]2CNCCN2Cc2c[nH]cn2)cc1 ZINC000257204546 402702256 /nfs/dbraw/zinc/70/22/56/402702256.db2.gz AVCKOSBADKTXKY-QGZVFWFLSA-N 0 3 300.406 2.343 40 0 DEABHN O=C(CN1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1)N1CCCC1 ZINC000257202965 402702719 /nfs/dbraw/zinc/70/27/19/402702719.db2.gz AOBFLERHZMADPG-VQFNDLOPSA-N 0 3 314.429 2.398 40 0 DEABHN COc1cc([C@H]2CNCc3cc(O)c(OC)cc32)ccc1O ZINC000024717562 277839341 /nfs/dbraw/zinc/83/93/41/277839341.db2.gz DBYFOBQHECKLQR-CYBMUJFWSA-N 0 3 301.342 2.350 40 0 DEABHN Cc1cccc(CN2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)n1 ZINC000306133359 231088162 /nfs/dbraw/zinc/08/81/62/231088162.db2.gz MJNPRSZRHIDFND-KBAYOESNSA-N 0 3 324.428 2.344 40 0 DEABHN CCN(CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391683 185168313 /nfs/dbraw/zinc/16/83/13/185168313.db2.gz DKKKNTGBCSBRBJ-KRWDZBQOSA-N 0 3 320.433 2.492 40 0 DEABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079394292 185168849 /nfs/dbraw/zinc/16/88/49/185168849.db2.gz NMPUBZIIOZLDBX-IRXDYDNUSA-N 0 3 303.450 2.093 40 0 DEABHN CC(C)N1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358300 191130908 /nfs/dbraw/zinc/13/09/08/191130908.db2.gz TZMAWPYSTPWTOF-HNNXBMFYSA-N 0 3 317.433 2.142 40 0 DEABHN Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@H]2CCCN2C)n1 ZINC000072360577 191132273 /nfs/dbraw/zinc/13/22/73/191132273.db2.gz ROIWOJUSRAXPPN-MRXNPFEDSA-N 0 3 313.405 2.451 40 0 DEABHN Cc1n[nH]c(C)c1[C@H](C)NC(=O)C1CN(C2CCCCC2)C1 ZINC000019747442 354045042 /nfs/dbraw/zinc/04/50/42/354045042.db2.gz BSVISNTYSDYFFE-NSHDSACASA-N 0 3 304.438 2.468 40 0 DEABHN CN1CCC(CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000074920937 191388374 /nfs/dbraw/zinc/38/83/74/191388374.db2.gz DPDKEGFDZHXAHM-UHFFFAOYSA-N 0 3 301.434 2.067 40 0 DEABHN CN(Cc1cnc([C@@H]2CCCCO2)nc1)C1CCN(C)CC1 ZINC000257340654 203063583 /nfs/dbraw/zinc/06/35/83/203063583.db2.gz ZHBGVONKZZNDPF-INIZCTEOSA-N 0 3 304.438 2.244 40 0 DEABHN Cn1cc(CN2CCC3(C[C@H](OCC4CCC4)CO3)CC2)cn1 ZINC000096106952 193540531 /nfs/dbraw/zinc/54/05/31/193540531.db2.gz XYOUJKFEXQWXFX-KRWDZBQOSA-N 0 3 319.449 2.360 40 0 DEABHN CC(C)CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019446425 182123446 /nfs/dbraw/zinc/12/34/46/182123446.db2.gz HOXWJZLEVNDNBZ-HNNXBMFYSA-N 0 3 302.422 2.174 40 0 DEABHN O=C(OCCN1CCCCC1)c1cc2ccccc2oc1=O ZINC000036627515 401906142 /nfs/dbraw/zinc/90/61/42/401906142.db2.gz UIOWLDZBDAJJQY-UHFFFAOYSA-N 0 3 301.342 2.436 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038847 402048123 /nfs/dbraw/zinc/04/81/23/402048123.db2.gz NREZRYSYLQELAQ-ARFHVFGLSA-N 0 3 320.458 2.111 40 0 DEABHN Cc1occc1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096038523 402048139 /nfs/dbraw/zinc/04/81/39/402048139.db2.gz AFZOOEWTNSMXHW-GASCZTMLSA-N 0 3 311.385 2.187 40 0 DEABHN COCCn1cc2c(n1)[C@H](CNCc1ccc(F)cc1)OCC2 ZINC000096059700 402054402 /nfs/dbraw/zinc/05/44/02/402054402.db2.gz CIDAQCXJGDKXPY-INIZCTEOSA-N 0 3 319.380 2.072 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccsc1 ZINC000096082429 402057595 /nfs/dbraw/zinc/05/75/95/402057595.db2.gz RZOATZVKNZAFGE-GVDBMIGSSA-N 0 3 324.490 2.306 40 0 DEABHN O=C(NC1CCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096100054 402058415 /nfs/dbraw/zinc/05/84/15/402058415.db2.gz PPEIANDIDOMCBS-NVXWUHKLSA-N 0 3 320.458 2.398 40 0 DEABHN CN(C)[C@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2C)C1 ZINC000096146279 402061924 /nfs/dbraw/zinc/06/19/24/402061924.db2.gz PRKVVXDYGDNMKI-ZDUSSCGKSA-N 0 3 324.428 2.446 40 0 DEABHN COc1ncccc1CN1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161480 402063960 /nfs/dbraw/zinc/06/39/60/402063960.db2.gz WAZHNMAZJLVBLN-HDICACEKSA-N 0 3 324.428 2.049 40 0 DEABHN CC(C)(N)C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000166142583 402481888 /nfs/dbraw/zinc/48/18/88/402481888.db2.gz SPXHHYTVDZDUJK-UHFFFAOYSA-N 0 3 303.337 2.367 40 0 DEABHN CN(C)Cc1cnc([C@H]2CCN(C(=O)c3cccc(F)c3)C2)[nH]1 ZINC000257225514 402705395 /nfs/dbraw/zinc/70/53/95/402705395.db2.gz FGNYJXDBAKTVCA-ZDUSSCGKSA-N 0 3 316.380 2.240 40 0 DEABHN O=C(CN1CCC[C@H]1CCc1ccncc1)N1CCCCC1 ZINC000257230271 402706442 /nfs/dbraw/zinc/70/64/42/402706442.db2.gz GBNJQGNUUQAAKE-KRWDZBQOSA-N 0 3 301.434 2.491 40 0 DEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)c1 ZINC000257237821 402706982 /nfs/dbraw/zinc/70/69/82/402706982.db2.gz HIIDEEZVXHBVAD-GFCCVEGCSA-N 0 3 312.373 2.162 40 0 DEABHN CN(C)C(=O)c1sc2nccnc2c1C1CCN(C)CC1 ZINC000257293539 402712168 /nfs/dbraw/zinc/71/21/68/402712168.db2.gz QPZDMQSBXVYZSQ-UHFFFAOYSA-N 0 3 304.419 2.202 40 0 DEABHN CN1c2ccccc2C2(CCN(C3CCC3)CC2)S1(=O)=O ZINC000306127461 403950935 /nfs/dbraw/zinc/95/09/35/403950935.db2.gz FZBDGPMZGKBIRP-UHFFFAOYSA-N 0 3 306.431 2.310 40 0 DEABHN CCN(C[C@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411070 185170016 /nfs/dbraw/zinc/17/00/16/185170016.db2.gz ZLOXJDXAKNXVQG-KRWDZBQOSA-N 0 3 320.433 2.349 40 0 DEABHN O=C(OCc1ccccc1)N1CCC[C@H]1CN(CCO)C1CC1 ZINC000079391738 185168458 /nfs/dbraw/zinc/16/84/58/185168458.db2.gz GKQYBACIPUQSGB-KRWDZBQOSA-N 0 3 318.417 2.244 40 0 DEABHN CN1CCN(Cc2c3cccnc3[nH]c2C2CCOCC2)CC1 ZINC000072394985 191149659 /nfs/dbraw/zinc/14/96/59/191149659.db2.gz YKVBNOSGPIJEBT-UHFFFAOYSA-N 0 3 314.433 2.204 40 0 DEABHN CC(=O)c1ccc(N2C(=O)C[C@H](NC3CCCCC3)C2=O)cc1 ZINC000004853389 181163227 /nfs/dbraw/zinc/16/32/27/181163227.db2.gz KFLGAHWKMKJTAD-INIZCTEOSA-N 0 3 314.385 2.443 40 0 DEABHN CC(C)N1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103494 357333879 /nfs/dbraw/zinc/33/38/79/357333879.db2.gz CXNJMAXORRAGNF-GOSISDBHSA-N 0 3 302.418 2.146 40 0 DEABHN Cc1cccc(O[C@@H]2CCC[C@H](N3CCC(O)CC3)[C@H]2O)c1 ZINC000585289190 357344239 /nfs/dbraw/zinc/34/42/39/357344239.db2.gz NOFVTLWZNIHCFO-RCCFBDPRSA-N 0 3 305.418 2.113 40 0 DEABHN Cc1ccc(O[C@@H]2CCC[C@H](CNCc3ncc[nH]3)[C@H]2O)cc1 ZINC000585287275 357344341 /nfs/dbraw/zinc/34/43/41/357344341.db2.gz WOBLKSJVHURVNG-QGPMSJSTSA-N 0 3 315.417 2.416 40 0 DEABHN O[C@@H]1[C@@H](CNCc2c[nH]cn2)CCC[C@H]1Oc1cccc(F)c1 ZINC000585286563 357344406 /nfs/dbraw/zinc/34/44/06/357344406.db2.gz LNIPNWYLLXVSNW-CSMYWGQOSA-N 0 3 319.380 2.247 40 0 DEABHN O[C@@H]1[C@@H](CNCc2cnc[nH]2)CCC[C@H]1Oc1cccc(F)c1 ZINC000585286563 357344411 /nfs/dbraw/zinc/34/44/11/357344411.db2.gz LNIPNWYLLXVSNW-CSMYWGQOSA-N 0 3 319.380 2.247 40 0 DEABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@@H](O)COC(C)C)cc12 ZINC000585292960 357345874 /nfs/dbraw/zinc/34/58/74/357345874.db2.gz QFSMNAKGEFLXKX-OAHLLOKOSA-N 0 3 318.417 2.433 40 0 DEABHN CN1CCC(N)(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000091690025 193091287 /nfs/dbraw/zinc/09/12/87/193091287.db2.gz OABWTZWDEQWEBI-UHFFFAOYSA-N 0 3 323.440 2.315 40 0 DEABHN CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079409735 284193311 /nfs/dbraw/zinc/19/33/11/284193311.db2.gz BSBDPKZEEHABGV-HIFPTAJRSA-N 0 3 313.442 2.018 40 0 DEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000119913802 195061345 /nfs/dbraw/zinc/06/13/45/195061345.db2.gz INNBRJZEBHYXFI-INIZCTEOSA-N 0 3 317.433 2.349 40 0 DEABHN C[C@@]1(O)CCN[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514290043 257215998 /nfs/dbraw/zinc/21/59/98/257215998.db2.gz VWMKWVGYPBMFPY-XYJFISCASA-N 0 3 302.418 2.147 40 0 biogenic,in-vitro DEABHN CSc1ncc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)cn1 ZINC000012203331 401781971 /nfs/dbraw/zinc/78/19/71/401781971.db2.gz JCCQKBNFUHGBEX-GFCCVEGCSA-N 0 3 322.478 2.439 40 0 DEABHN N[C@@H](Cc1c[nH]cn1)c1nc2cc(Br)ccc2[nH]1 ZINC000037441197 401913952 /nfs/dbraw/zinc/91/39/52/401913952.db2.gz FFWOIROWJNNAJP-VIFPVBQESA-N 0 3 306.167 2.291 40 0 DEABHN N[C@@H](Cc1c[nH]cn1)c1nc2ccc(Br)cc2[nH]1 ZINC000037441197 401913954 /nfs/dbraw/zinc/91/39/54/401913954.db2.gz FFWOIROWJNNAJP-VIFPVBQESA-N 0 3 306.167 2.291 40 0 DEABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096111114 402060507 /nfs/dbraw/zinc/06/05/07/402060507.db2.gz OSQJEDHSDLQINX-INIZCTEOSA-N 0 3 320.408 2.428 40 0 DEABHN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096038679 402048402 /nfs/dbraw/zinc/04/84/02/402048402.db2.gz COPQEDPEPKHFKB-NVXWUHKLSA-N 0 3 320.458 2.255 40 0 DEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccsc3)C[C@H]2C1 ZINC000096053928 402052520 /nfs/dbraw/zinc/05/25/20/402052520.db2.gz SRXOOKFXUVUBFK-BETUJISGSA-N 0 3 319.455 2.409 40 0 DEABHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccncc2)n1 ZINC000096055767 402052603 /nfs/dbraw/zinc/05/26/03/402052603.db2.gz GYSZRRZUGDJXEH-ZWKOTPCHSA-N 0 3 322.412 2.160 40 0 DEABHN O=C(NCC1CC1)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065572 402055634 /nfs/dbraw/zinc/05/56/34/402055634.db2.gz NREZRYSYLQELAQ-HRCADAONSA-N 0 3 320.458 2.111 40 0 DEABHN CC(C)COC[C@H]1CN(CCN2CCCC2)Cc2ncn(C)c21 ZINC000096068634 402056199 /nfs/dbraw/zinc/05/61/99/402056199.db2.gz XUYOIFBULZRDLY-MRXNPFEDSA-N 0 3 320.481 2.088 40 0 DEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCC1CC1 ZINC000096215619 402070404 /nfs/dbraw/zinc/07/04/04/402070404.db2.gz SWPVSFBZMDESDH-ARFHVFGLSA-N 0 3 320.458 2.254 40 0 DEABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2CC2CC2)CC1 ZINC000096217956 402071566 /nfs/dbraw/zinc/07/15/66/402071566.db2.gz DJQFITRUFHTBPW-SFHVURJKSA-N 0 3 316.449 2.177 40 0 DEABHN Cc1nc(CN2C[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2=O)cs1 ZINC000096245103 402073739 /nfs/dbraw/zinc/07/37/39/402073739.db2.gz MOVUSFGGEIDCGO-ZFWWWQNUSA-N 0 3 317.414 2.135 40 0 DEABHN COc1ccc(CN2C[C@@H]3C(=O)N(c4cccnc4)C[C@@H]3C2)cc1 ZINC000096245191 402073939 /nfs/dbraw/zinc/07/39/39/402073939.db2.gz RHLCINPIWZPGFK-YJBOKZPZSA-N 0 3 323.396 2.185 40 0 DEABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)o1 ZINC000096245564 402074092 /nfs/dbraw/zinc/07/40/92/402074092.db2.gz HMANMJYMTFODIK-HZPDHXFCSA-N 0 3 311.385 2.187 40 0 DEABHN Cc1cccc(CN2C[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2=O)c1 ZINC000096245283 402074273 /nfs/dbraw/zinc/07/42/73/402074273.db2.gz RNGUTZYFZARXHB-OALUTQOASA-N 0 3 321.424 2.480 40 0 DEABHN c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CCOCC2)c1 ZINC000096250194 402074787 /nfs/dbraw/zinc/07/47/87/402074787.db2.gz OIKWPODUUSYQHE-RCCFBDPRSA-N 0 3 304.434 2.394 40 0 DEABHN CO[C@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096158773 402063427 /nfs/dbraw/zinc/06/34/27/402063427.db2.gz UXAFQOJQTMFQOJ-CQSZACIVSA-N 0 3 305.374 2.185 40 0 DEABHN Cc1cccc(CN2CC[C@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096159512 402063445 /nfs/dbraw/zinc/06/34/45/402063445.db2.gz OTTZLVYVZNLZSO-IBGZPJMESA-N 0 3 322.412 2.414 40 0 DEABHN Cn1ncc2c1[C@@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096198319 402067510 /nfs/dbraw/zinc/06/75/10/402067510.db2.gz VIHLYVHBBBLXNF-QGZVFWFLSA-N 0 3 319.449 2.173 40 0 DEABHN Cn1cc(CN2CC3(C2)CCN(Cc2ccsc2)C3)cn1 ZINC000096202754 402068670 /nfs/dbraw/zinc/06/86/70/402068670.db2.gz YLSRIVOVFLWGFG-UHFFFAOYSA-N 0 3 302.447 2.190 40 0 DEABHN CCc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)o1 ZINC000096201503 402068754 /nfs/dbraw/zinc/06/87/54/402068754.db2.gz NUSBBEJMOQTPHP-CYBMUJFWSA-N 0 3 306.406 2.054 40 0 DEABHN Cc1cccnc1CN1CCC2(CC(NC(=O)N(C)C)C2)CC1 ZINC000108528484 402255625 /nfs/dbraw/zinc/25/56/25/402255625.db2.gz XRXSOPLDKVSEFH-UHFFFAOYSA-N 0 3 316.449 2.406 40 0 DEABHN COc1ccccc1CN1Cc2cncn2[C@H](CN(C)C)C1 ZINC000248079724 402582234 /nfs/dbraw/zinc/58/22/34/402582234.db2.gz CLPOVVYCRZUZIE-MRXNPFEDSA-N 0 3 300.406 2.010 40 0 DEABHN CN(C)Cc1cnc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)[nH]1 ZINC000257225513 402705641 /nfs/dbraw/zinc/70/56/41/402705641.db2.gz FGNYJXDBAKTVCA-CYBMUJFWSA-N 0 3 316.380 2.240 40 0 DEABHN CC(C)(N)C(=O)N1CCC2(CO[C@@H](Cc3ccccc3)C2)CC1 ZINC000257266988 402710828 /nfs/dbraw/zinc/71/08/28/402710828.db2.gz MFKSWRHHXXINJJ-INIZCTEOSA-N 0 3 316.445 2.364 40 0 DEABHN Cc1cc(Cl)ccc1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000288163181 403737515 /nfs/dbraw/zinc/73/75/15/403737515.db2.gz CXJTUMNXLITUAO-AWEZNQCLSA-N 0 3 310.825 2.225 40 0 DEABHN CC(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333760892 403849997 /nfs/dbraw/zinc/84/99/97/403849997.db2.gz AKWZMVZCCUQGGV-NXOAAHMSSA-N 0 3 320.408 2.140 40 0 DEABHN C[C@H](CO)N1CCCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC001548453725 1072647399 /nfs/dbraw/zinc/64/73/99/1072647399.db2.gz VSIDWGOLGAPDLI-OAHLLOKOSA-N 0 3 315.417 2.230 40 0 DEABHN Cc1cc(C)cc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)c1 ZINC000306137027 231090494 /nfs/dbraw/zinc/09/04/94/231090494.db2.gz QJHNUBDWESFBLO-MSOLQXFVSA-N 0 3 315.461 2.040 40 0 DEABHN Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072366978 191136224 /nfs/dbraw/zinc/13/62/24/191136224.db2.gz ACKYXISJBYYXGL-HNNXBMFYSA-N 0 3 318.465 2.394 40 0 DEABHN c1cncc(CN2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000072390053 191148448 /nfs/dbraw/zinc/14/84/48/191148448.db2.gz OWTPDBRJWXZEAX-AWEZNQCLSA-N 0 3 322.372 2.301 40 0 DEABHN COc1cccc(OC)c1OC[C@H](O)CN1CCCC[C@H]1C ZINC000006007621 353994990 /nfs/dbraw/zinc/99/49/90/353994990.db2.gz CLFCNMVBIRZSGE-ZIAGYGMSSA-N 0 3 309.406 2.318 40 0 DEABHN Cc1ccc(OC[C@@]2(O)COCCN(C3CCCC3)C2)cc1 ZINC000585269162 357340087 /nfs/dbraw/zinc/34/00/87/357340087.db2.gz KXTBVAXXXCCFKS-SFHVURJKSA-N 0 3 305.418 2.380 40 0 DEABHN CCN1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585288830 357345264 /nfs/dbraw/zinc/34/52/64/357345264.db2.gz ATTGZTSGRUOPHG-RCCFBDPRSA-N 0 3 322.424 2.124 40 0 DEABHN CCN(CCN(C)C)Cc1cnc([C@]2(C)CCCCO2)nc1 ZINC000257203517 202939455 /nfs/dbraw/zinc/93/94/55/202939455.db2.gz AQKXAFQRFVHQHK-KRWDZBQOSA-N 0 3 306.454 2.276 40 0 DEABHN O=c1cc(C[C@H]2COCCN(Cc3ccc(F)cc3)C2)nc[nH]1 ZINC000257275937 203004337 /nfs/dbraw/zinc/00/43/37/203004337.db2.gz NRPPKOPAUINZLT-CQSZACIVSA-N 0 3 317.364 2.012 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccsc1 ZINC000019286380 182112386 /nfs/dbraw/zinc/11/23/86/182112386.db2.gz MLAIKGLLMAIEMZ-QWHCGFSZSA-N 0 3 301.415 2.272 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccsc1 ZINC000019286380 182112388 /nfs/dbraw/zinc/11/23/88/182112388.db2.gz MLAIKGLLMAIEMZ-QWHCGFSZSA-N 0 3 301.415 2.272 40 0 DEABHN CCN1CCC(N2CCN(C(C)=O)C[C@@H]2c2ccccc2)CC1 ZINC000257214472 285187500 /nfs/dbraw/zinc/18/75/00/285187500.db2.gz CMCULFBEJVKGRQ-LJQANCHMSA-N 0 3 315.461 2.376 40 0 DEABHN CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](O)(CN)c1ccccc1 ZINC000072207948 257128431 /nfs/dbraw/zinc/12/84/31/257128431.db2.gz ZFTLPBPZBWLJAC-RHSMWYFYSA-N 0 3 308.422 2.382 40 0 DEABHN COc1cccc(CN2CCOC[C@H](CC(=O)N(C)C)[C@H]2C)c1 ZINC000306129482 533482079 /nfs/dbraw/zinc/48/20/79/533482079.db2.gz IEOZLHBUNINMIT-ZBFHGGJFSA-N 0 3 320.433 2.010 40 0 DEABHN Cn1c2ccc(CN3CCC(C)(CO)CC3)cc2sc1=O ZINC000192730246 145078339 /nfs/dbraw/zinc/07/83/39/145078339.db2.gz ZGNUJUYSDNPKBU-UHFFFAOYSA-N 0 3 306.431 2.194 40 0 DEABHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OC ZINC000008253616 401750504 /nfs/dbraw/zinc/75/05/04/401750504.db2.gz NKCORMAUJWSUBH-VIFPVBQESA-N 0 3 318.211 2.327 40 0 DEABHN CC[C@@H](OC[C@@H](O)CN1CCN(CC)CC1)c1ccccc1 ZINC000022030797 401826271 /nfs/dbraw/zinc/82/62/71/401826271.db2.gz VSEBAVWJBVADMN-ZWKOTPCHSA-N 0 3 306.450 2.153 40 0 DEABHN Cc1occc1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096110634 402060585 /nfs/dbraw/zinc/06/05/85/402060585.db2.gz LYCBHSTYXCJRHY-IYBDPMFKSA-N 0 3 311.385 2.187 40 0 DEABHN COCCN1CCOC[C@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096049455 402051309 /nfs/dbraw/zinc/05/13/09/402051309.db2.gz SSJAKBHHDFLBNL-QGZVFWFLSA-N 0 3 324.490 2.309 40 0 DEABHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053752 402051811 /nfs/dbraw/zinc/05/18/11/402051811.db2.gz PJMNJSOEGZPWTM-IYBDPMFKSA-N 0 3 313.426 2.347 40 0 DEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)NC1CC1 ZINC000096206916 402069745 /nfs/dbraw/zinc/06/97/45/402069745.db2.gz VWPRVUCMBKGICY-BMFZPTHFSA-N 0 3 320.458 2.254 40 0 DEABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](c3nc(C)no3)[C@H]2C1 ZINC000096215718 402070356 /nfs/dbraw/zinc/07/03/56/402070356.db2.gz LNVGHWWPTKBSIZ-JHJVBQTASA-N 0 3 305.403 2.362 40 0 DEABHN O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096224520 402071628 /nfs/dbraw/zinc/07/16/28/402071628.db2.gz YMVLHLQTSXVPGO-IBGZPJMESA-N 0 3 322.412 2.496 40 0 DEABHN CC(C)CN1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253446 402075040 /nfs/dbraw/zinc/07/50/40/402075040.db2.gz JPLIIBIHRUFSDT-IXDOHACOSA-N 0 3 302.418 2.048 40 0 DEABHN Cc1cccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)n1 ZINC000096183284 402065312 /nfs/dbraw/zinc/06/53/12/402065312.db2.gz UQEOYSQOQUWWGW-ZWKOTPCHSA-N 0 3 301.434 2.075 40 0 DEABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)cc1C ZINC000096184389 402065521 /nfs/dbraw/zinc/06/55/21/402065521.db2.gz RZKFFVRGCXUGCS-MSOLQXFVSA-N 0 3 315.461 2.040 40 0 DEABHN CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1ccccn1 ZINC000067889937 402177498 /nfs/dbraw/zinc/17/74/98/402177498.db2.gz WPQQTXSLGHYNIK-WBMJQRKESA-N 0 3 301.390 2.309 40 0 biogenic,in-vitro DEABHN c1ccc(O[C@H]2CSC3(CN(CC4CCOCC4)C3)C2)nc1 ZINC000253480459 402667605 /nfs/dbraw/zinc/66/76/05/402667605.db2.gz WWWMHNZBRYASHE-OAHLLOKOSA-N 0 3 320.458 2.447 40 0 DEABHN Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CN)C2)nc1 ZINC000257206904 402703213 /nfs/dbraw/zinc/70/32/13/402703213.db2.gz BFJZOXQPVNWNFW-AWEZNQCLSA-N 0 3 314.389 2.018 40 0 DEABHN O=S(=O)(NC1CCN(C2CCCCC2)CC1)c1ccoc1 ZINC000285933363 403413551 /nfs/dbraw/zinc/41/35/51/403413551.db2.gz IVAWOSNBLNWMMY-UHFFFAOYSA-N 0 3 312.435 2.355 40 0 DEABHN O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000097953353 332203386 /nfs/dbraw/zinc/20/33/86/332203386.db2.gz BOTVVWOAUHAVII-GDBMZVCRSA-N 0 3 306.431 2.008 40 0 DEABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CN3CCCC3=O)[C@H]2C1 ZINC000306140939 534472815 /nfs/dbraw/zinc/47/28/15/534472815.db2.gz VHHTZTVGWSEESK-RRFJBIMHSA-N 0 3 320.458 2.126 40 0 DEABHN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079411111 185169875 /nfs/dbraw/zinc/16/98/75/185169875.db2.gz QJASVSCSOPIEEM-MRXNPFEDSA-N 0 3 306.406 2.100 40 0 DEABHN COc1cccc(CN[C@@H]2[C@@H](c3ccccc3)C[C@@H](O)[C@H]2O)c1 ZINC000072321868 191122046 /nfs/dbraw/zinc/12/20/46/191122046.db2.gz GWISBYNYXBBDQT-NCXUSEDFSA-N 0 3 313.397 2.063 40 0 biogenic,in-vitro DEABHN Cc1cccnc1Nc1cccc([C@@H]2CCCN2C(=O)CN)n1 ZINC000072382968 191143282 /nfs/dbraw/zinc/14/32/82/191143282.db2.gz YRWXGPFCYXKMHZ-AWEZNQCLSA-N 0 3 311.389 2.151 40 0 DEABHN c1cncc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000072390054 191148147 /nfs/dbraw/zinc/14/81/47/191148147.db2.gz OWTPDBRJWXZEAX-CQSZACIVSA-N 0 3 322.372 2.301 40 0 DEABHN Cn1nccc1CN[C@H]1CC[C@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585284509 357344952 /nfs/dbraw/zinc/34/49/52/357344952.db2.gz LODKKACNJSPVMU-HRCADAONSA-N 0 3 321.808 2.134 40 0 DEABHN Cc1nccc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)n1 ZINC000257301919 203025494 /nfs/dbraw/zinc/02/54/94/203025494.db2.gz SANXZUTYIAQCLX-JXSMBQFASA-N 0 3 314.433 2.262 40 0 DEABHN COC(=O)CC1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000015423817 182001707 /nfs/dbraw/zinc/00/17/07/182001707.db2.gz CNKVLCSQUZIQPQ-UHFFFAOYSA-N 0 3 307.390 2.479 40 0 DEABHN COc1ccc(CN2CCC(O)(Cn3ccnc3C)CC2)cc1 ZINC000019287976 182112748 /nfs/dbraw/zinc/11/27/48/182112748.db2.gz RKVKJWNONBECRC-UHFFFAOYSA-N 0 3 315.417 2.227 40 0 DEABHN Cc1nn(C)cc1CN1CCC[C@@](C)(C(=O)NC2CCCC2)C1 ZINC000019746712 182142353 /nfs/dbraw/zinc/14/23/53/182142353.db2.gz XTTLINRDLJQKMW-GOSISDBHSA-N 0 3 318.465 2.389 40 0 DEABHN CCn1ncc(CN(CCN(C)C)Cc2ccncc2)c1C ZINC000022913836 182340311 /nfs/dbraw/zinc/34/03/11/182340311.db2.gz PBHFIPORTXHJIF-UHFFFAOYSA-N 0 3 301.438 2.170 40 0 DEABHN COc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1O ZINC000022931520 182341819 /nfs/dbraw/zinc/34/18/19/182341819.db2.gz JYZRGIUQWNHSQT-UHFFFAOYSA-N 0 3 315.417 2.360 40 0 DEABHN CN1CCN(C(=O)OCc2ccccc2)C[C@H]1CN1CCCC1 ZINC000022927830 182342021 /nfs/dbraw/zinc/34/20/21/182342021.db2.gz CJZXOTZBKJCQRM-QGZVFWFLSA-N 0 3 317.433 2.035 40 0 DEABHN CC(=O)N1CCN(c2cc(C)c([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072223742 257123391 /nfs/dbraw/zinc/12/33/91/257123391.db2.gz RKLFEANSMRVKEK-IBGZPJMESA-N 0 3 324.428 2.107 40 0 DEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000006953112 401734462 /nfs/dbraw/zinc/73/44/62/401734462.db2.gz MXKPRAZZOWXVSW-OAHLLOKOSA-N 0 3 317.433 2.151 40 0 DEABHN CC[C@H](Oc1ccccc1OC)C(=O)NC1CCN(C)CC1 ZINC000113959407 401788765 /nfs/dbraw/zinc/78/87/65/401788765.db2.gz CCBWRAHESHLJJC-AWEZNQCLSA-N 0 3 306.406 2.063 40 0 DEABHN O=C(CC1CC1)NC[C@]12COC[C@H]1CN(Cc1cccs1)C2 ZINC000096108418 402059471 /nfs/dbraw/zinc/05/94/71/402059471.db2.gz XJPBUNMKLFKGJV-PBHICJAKSA-N 0 3 320.458 2.113 40 0 DEABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1cccnc1)CC2 ZINC000096047528 402050140 /nfs/dbraw/zinc/05/01/40/402050140.db2.gz KPRGCBJLSDCQAQ-GOSISDBHSA-N 0 3 317.433 2.075 40 0 DEABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccoc1)CC2 ZINC000096047514 402050457 /nfs/dbraw/zinc/05/04/57/402050457.db2.gz BDCKEEBAIICEMO-QGZVFWFLSA-N 0 3 306.406 2.273 40 0 DEABHN CC(C)N(C)Cc1nnc2n1CCN(Cc1cccs1)CC2 ZINC000096058946 402054030 /nfs/dbraw/zinc/05/40/30/402054030.db2.gz DVISKKPBRGMANO-UHFFFAOYSA-N 0 3 319.478 2.238 40 0 DEABHN c1ccc(-c2nnn3c2CO[C@H](CNCc2cccnc2)C3)cc1 ZINC000096061091 402054791 /nfs/dbraw/zinc/05/47/91/402054791.db2.gz AKZHYEDXYWJVDE-MRXNPFEDSA-N 0 3 321.384 2.029 40 0 DEABHN Cc1cccc(CN2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)n1 ZINC000096239143 402073252 /nfs/dbraw/zinc/07/32/52/402073252.db2.gz BXUQDXAGMLDNRH-IBGZPJMESA-N 0 3 322.412 2.414 40 0 DEABHN CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCN(C)CC2 ZINC000096260464 402075335 /nfs/dbraw/zinc/07/53/35/402075335.db2.gz PFYPOYXLUOZKDE-UHFFFAOYSA-N 0 3 316.449 2.072 40 0 DEABHN Fc1ccc(-c2ncnc3c2CCN([C@@H]2CCOC2)CC3)cc1 ZINC000096255294 402075470 /nfs/dbraw/zinc/07/54/70/402075470.db2.gz KJQWEEMJQNCOKH-OAHLLOKOSA-N 0 3 313.376 2.472 40 0 DEABHN Cc1cccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)n1 ZINC000096255857 402075564 /nfs/dbraw/zinc/07/55/64/402075564.db2.gz GMDVTAGFCAXUBR-UHFFFAOYSA-N 0 3 311.433 2.267 40 0 DEABHN Cn1cc(CN2CCc3ncnc(-c4ccccc4)c3CC2)cn1 ZINC000096255354 402075605 /nfs/dbraw/zinc/07/56/05/402075605.db2.gz FSKVPGMQYQUWMY-UHFFFAOYSA-N 0 3 319.412 2.478 40 0 DEABHN CC(=O)N1CCO[C@H]2CCN(Cc3ccc(C)c(C)c3)C[C@@H]21 ZINC000108532935 402256287 /nfs/dbraw/zinc/25/62/87/402256287.db2.gz GALYKZVUCVQQJF-ROUUACIJSA-N 0 3 302.418 2.125 40 0 DEABHN c1ccc(NC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)nc1 ZINC000108531529 402256522 /nfs/dbraw/zinc/25/65/22/402256522.db2.gz LCFCPFGTSGKCCC-AEFFLSMTSA-N 0 3 310.401 2.037 40 0 DEABHN CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)C ZINC000224132271 402313646 /nfs/dbraw/zinc/31/36/46/402313646.db2.gz KUELMMZPNMBKMG-QGZVFWFLSA-N 0 3 304.434 2.401 40 0 DEABHN CCOC(=O)c1cccc(NC(=S)NCCN(C)C)c1C ZINC000225404011 402316512 /nfs/dbraw/zinc/31/65/12/402316512.db2.gz GHRVZKUUIHACPY-UHFFFAOYSA-N 0 3 309.435 2.020 40 0 DEABHN COCCN1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257261862 402710178 /nfs/dbraw/zinc/71/01/78/402710178.db2.gz LJBDWFXKEUHJLM-GFCCVEGCSA-N 0 3 319.434 2.421 40 0 DEABHN CNc1cc(C)nc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)c1 ZINC000257266151 402710804 /nfs/dbraw/zinc/71/08/04/402710804.db2.gz MBUHTXGTSIVUNL-INIZCTEOSA-N 0 3 313.405 2.416 40 0 DEABHN Cc1nn(C2CCCC2)cc1CNCCCN1CCOCC1 ZINC000256054039 402699926 /nfs/dbraw/zinc/69/99/26/402699926.db2.gz USJLILUURCUNAQ-UHFFFAOYSA-N 0 3 306.454 2.119 40 0 DEABHN Cc1cc(Cl)ccc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000288163187 403737521 /nfs/dbraw/zinc/73/75/21/403737521.db2.gz CXJTUMNXLITUAO-CQSZACIVSA-N 0 3 310.825 2.225 40 0 DEABHN CC(C)N(C(=O)OCc1ccccc1)C1CCN(CCO)CC1 ZINC000079411158 185169891 /nfs/dbraw/zinc/16/98/91/185169891.db2.gz DCSYEJGGQQJNJV-UHFFFAOYSA-N 0 3 320.433 2.490 40 0 DEABHN O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCCN(CCO)C1 ZINC000079411262 185170028 /nfs/dbraw/zinc/17/00/28/185170028.db2.gz RVKFWGKRCHJUPE-QGZVFWFLSA-N 0 3 318.417 2.244 40 0 DEABHN CCN(C[C@H]1CCCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411059 185170050 /nfs/dbraw/zinc/17/00/50/185170050.db2.gz LFFVDBXMNPABBO-QGZVFWFLSA-N 0 3 320.433 2.492 40 0 DEABHN Cc1cccnc1Nc1cccc([C@H]2CCCN2C(=O)CN)n1 ZINC000072382969 191142389 /nfs/dbraw/zinc/14/23/89/191142389.db2.gz YRWXGPFCYXKMHZ-CQSZACIVSA-N 0 3 311.389 2.151 40 0 DEABHN c1cnc(-c2nnc([C@H]3CCCN(Cc4ccncc4)C3)o2)cn1 ZINC000072390051 191148321 /nfs/dbraw/zinc/14/83/21/191148321.db2.gz CZEPXXZXYVYCHT-AWEZNQCLSA-N 0 3 322.372 2.301 40 0 DEABHN CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 ZINC000073034459 191271572 /nfs/dbraw/zinc/27/15/72/191271572.db2.gz KSUWGJLLSBNCFC-CYBMUJFWSA-N 0 3 317.433 2.495 40 0 DEABHN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)C1CN(C2CCCCC2)C1 ZINC000019747441 354045498 /nfs/dbraw/zinc/04/54/98/354045498.db2.gz BSVISNTYSDYFFE-LLVKDONJSA-N 0 3 304.438 2.468 40 0 DEABHN CCN(CC)CCOC(=O)c1cn(Cc2ccccc2)nc1N ZINC000005453517 181245376 /nfs/dbraw/zinc/24/53/76/181245376.db2.gz HALIKEGOJQHSIY-UHFFFAOYSA-N 0 3 316.405 2.012 40 0 DEABHN O=C1N(c2ncccn2)C[C@@]12CCCN(CC1CCCCC1)C2 ZINC000585099509 357332856 /nfs/dbraw/zinc/33/28/56/357332856.db2.gz PHMZNESIOWHLBX-SFHVURJKSA-N 0 3 314.433 2.486 40 0 DEABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@H](O)COC(C)C)cc12 ZINC000585292958 357345712 /nfs/dbraw/zinc/34/57/12/357345712.db2.gz QFSMNAKGEFLXKX-HNNXBMFYSA-N 0 3 318.417 2.433 40 0 DEABHN CCOc1ccc2[nH]c(=O)c(CNC[C@@H]3CCCO3)cc2c1 ZINC000006493512 181345539 /nfs/dbraw/zinc/34/55/39/181345539.db2.gz RIXUAIMNEPAEHA-HNNXBMFYSA-N 0 3 302.374 2.195 40 0 DEABHN CNCC(=O)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 ZINC000257255571 202989384 /nfs/dbraw/zinc/98/93/84/202989384.db2.gz KHZYIXCPVZDUAN-CQSZACIVSA-N 0 3 312.417 2.020 40 0 DEABHN O=C(CC1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292343 182113374 /nfs/dbraw/zinc/11/33/74/182113374.db2.gz QUVVBGFQLNKFON-INIZCTEOSA-N 0 3 314.433 2.366 40 0 DEABHN CC(C)(C)CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019082712 182104652 /nfs/dbraw/zinc/10/46/52/182104652.db2.gz IRMANXDNPSQPHS-AWEZNQCLSA-N 0 3 302.422 2.222 40 0 DEABHN Cn1nc2c(c1C(=O)NCC(C)(C)N1CCCCC1)CCCC2 ZINC000019656527 182134656 /nfs/dbraw/zinc/13/46/56/182134656.db2.gz HXKTUUZTIMKMQU-UHFFFAOYSA-N 0 3 318.465 2.293 40 0 DEABHN Cn1cc(CN2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746649 182142207 /nfs/dbraw/zinc/14/22/07/182142207.db2.gz TVGSFGVRLDSYPV-KRWDZBQOSA-N 0 3 304.438 2.081 40 0 DEABHN O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1ccn[nH]1 ZINC000012087752 401778815 /nfs/dbraw/zinc/77/88/15/401778815.db2.gz PKZSIJVYAPBLHJ-UHFFFAOYSA-N 0 3 324.428 2.336 40 0 DEABHN COc1ccc(C2(CN3CCC(NC(C)=O)CC3)CC2)cc1 ZINC000012219489 401781873 /nfs/dbraw/zinc/78/18/73/401781873.db2.gz QDYFVWWOAPDHOH-UHFFFAOYSA-N 0 3 302.418 2.327 40 0 DEABHN COc1ccc(OC)c(NC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000027932334 401848880 /nfs/dbraw/zinc/84/88/80/401848880.db2.gz QFIWEWCTDNJTFH-GFCCVEGCSA-N 0 3 305.378 2.016 40 0 DEABHN c1cc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047715 402051319 /nfs/dbraw/zinc/05/13/19/402051319.db2.gz PABDGCHCXFCCED-HOCLYGCPSA-N 0 3 316.430 2.384 40 0 DEABHN Cc1nc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cs1 ZINC000096053799 402051512 /nfs/dbraw/zinc/05/15/12/402051512.db2.gz LAABDHUCMMQKMQ-GJZGRUSLSA-N 0 3 314.458 2.410 40 0 DEABHN Cc1nc(CN2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cs1 ZINC000096053797 402051902 /nfs/dbraw/zinc/05/19/02/402051902.db2.gz LAABDHUCMMQKMQ-GASCZTMLSA-N 0 3 314.458 2.410 40 0 DEABHN c1csc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)n1 ZINC000096053789 402052053 /nfs/dbraw/zinc/05/20/53/402052053.db2.gz VLDMOJGVVURWNQ-KBPBESRZSA-N 0 3 300.431 2.102 40 0 DEABHN COc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1 ZINC000096053996 402052570 /nfs/dbraw/zinc/05/25/70/402052570.db2.gz SSFPKVYRMINHME-HZPDHXFCSA-N 0 3 310.401 2.053 40 0 DEABHN c1cc(CN2CCc3ncnc(N4CCCC4)c3CC2)ccn1 ZINC000096058722 402054317 /nfs/dbraw/zinc/05/43/17/402054317.db2.gz CKASKVJHJHPDGF-UHFFFAOYSA-N 0 3 309.417 2.073 40 0 DEABHN CC(C)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccs2)C1 ZINC000096064865 402055243 /nfs/dbraw/zinc/05/52/43/402055243.db2.gz GHVHMALSAIOZOI-GDBMZVCRSA-N 0 3 308.447 2.254 40 0 DEABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096063050 402055676 /nfs/dbraw/zinc/05/56/76/402055676.db2.gz BGKXJFLOZNDYQD-HNNXBMFYSA-N 0 3 306.381 2.151 40 0 DEABHN COCCN1CCOCC12CCN(Cc1cccc(F)c1)CC2 ZINC000096074605 402056861 /nfs/dbraw/zinc/05/68/61/402056861.db2.gz AXHXVSFQQPWVOY-UHFFFAOYSA-N 0 3 322.424 2.139 40 0 DEABHN CC(C)N1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076239 402057159 /nfs/dbraw/zinc/05/71/59/402057159.db2.gz XPDUEKQWNZVOSH-INIZCTEOSA-N 0 3 309.479 2.466 40 0 DEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)N1CCCC1 ZINC000096206228 402069508 /nfs/dbraw/zinc/06/95/08/402069508.db2.gz PBJZQUMZRZGSRP-ZACQAIPSSA-N 0 3 318.417 2.129 40 0 DEABHN O=C1CCCN1[C@@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096207060 402069585 /nfs/dbraw/zinc/06/95/85/402069585.db2.gz FNXRXHLIJIPFPX-RHSMWYFYSA-N 0 3 320.458 2.494 40 0 DEABHN Cc1cccc(CN2CCC3(CC2)COCCN3CC2CC2)n1 ZINC000096226176 402072483 /nfs/dbraw/zinc/07/24/83/402072483.db2.gz YQGLGMJMOGVJJM-UHFFFAOYSA-N 0 3 315.461 2.467 40 0 DEABHN Cc1ccc(CN2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 ZINC000096255191 402074588 /nfs/dbraw/zinc/07/45/88/402074588.db2.gz GKSDBEURXVHEAU-UHFFFAOYSA-N 0 3 323.400 2.379 40 0 DEABHN CC(C)CNc1nc2c(cc1C(=O)NC(C)C)CCN(C)CC2 ZINC000096260531 402075643 /nfs/dbraw/zinc/07/56/43/402075643.db2.gz JZAGMRLEZLSGLH-UHFFFAOYSA-N 0 3 318.465 2.318 40 0 DEABHN COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)ncn1 ZINC000096184775 402065415 /nfs/dbraw/zinc/06/54/15/402065415.db2.gz KXZHYHMYFYTQHI-KGLIPLIRSA-N 0 3 316.430 2.400 40 0 DEABHN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(C)o1 ZINC000096186250 402066189 /nfs/dbraw/zinc/06/61/89/402066189.db2.gz ODZKNBGHPXPTLI-HZPDHXFCSA-N 0 3 306.406 2.108 40 0 DEABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)s1 ZINC000107739489 402240170 /nfs/dbraw/zinc/24/01/70/402240170.db2.gz NHHCRIJOALYMQZ-DOTOQJQBSA-N 0 3 324.490 2.368 40 0 DEABHN CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000170678679 402513209 /nfs/dbraw/zinc/51/32/09/402513209.db2.gz UZSQBODZFADJDY-INIZCTEOSA-N 0 3 312.417 2.491 40 0 DEABHN CNc1cnc(C[C@H]2CCCN(Cc3cncn3C)CC2)cn1 ZINC000257208212 402703384 /nfs/dbraw/zinc/70/33/84/402703384.db2.gz BLEJRFXCUHLBPM-AWEZNQCLSA-N 0 3 314.437 2.097 40 0 DEABHN NC1(C(=O)N2CCC(c3cncc(Cl)n3)CC2)CCCCC1 ZINC000257224751 402705457 /nfs/dbraw/zinc/70/54/57/402705457.db2.gz FDFBIQPJNLCRLH-UHFFFAOYSA-N 0 3 322.840 2.498 40 0 DEABHN C[C@]12C[C@@H](c3ccc(F)cc3)N(CCO)[C@H]1CCCCC(=O)N2 ZINC000257233862 402706941 /nfs/dbraw/zinc/70/69/41/402706941.db2.gz GRBZTMMLDNPUJE-BQFCYCMXSA-N 0 3 320.408 2.382 40 0 DEABHN CCn1ncc(CNCCc2ccc(OC)c(OC)c2)c1F ZINC000256053742 402700172 /nfs/dbraw/zinc/70/01/72/402700172.db2.gz SQMGYWUOWXUIJM-UHFFFAOYSA-N 0 3 307.369 2.392 40 0 DEABHN Cc1ccc(OCc2nnc3n2CCN(C(C)C)[C@H](C)C3)cn1 ZINC000585098032 405868631 /nfs/dbraw/zinc/86/86/31/405868631.db2.gz QRMAIKAWCGDYFI-CQSZACIVSA-N 0 3 315.421 2.216 40 0 DEABHN O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccn1 ZINC000306144906 534854139 /nfs/dbraw/zinc/85/41/39/534854139.db2.gz ZRXGLSYBIKUZQH-ZWKOTPCHSA-N 0 3 322.412 2.174 40 0 DEABHN CN(CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391652 185168523 /nfs/dbraw/zinc/16/85/23/185168523.db2.gz JBNIHBYFFMHBSP-INIZCTEOSA-N 0 3 306.406 2.102 40 0 DEABHN CCN(CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391673 185168541 /nfs/dbraw/zinc/16/85/41/185168541.db2.gz KEULSGIYHYHLER-MRXNPFEDSA-N 0 3 306.406 2.102 40 0 DEABHN c1cn(-c2cncc([C@H]3CCCN(Cc4cccnc4)C3)n2)cn1 ZINC000072355431 191128849 /nfs/dbraw/zinc/12/88/49/191128849.db2.gz ZRMXNPZJYLUMRQ-INIZCTEOSA-N 0 3 320.400 2.437 40 0 DEABHN COc1ccc2c(c1)cc(C1CCN(CCO)CC1)[nH]c2=O ZINC000072367751 191137216 /nfs/dbraw/zinc/13/72/16/191137216.db2.gz KQMULTOXXDVOSH-UHFFFAOYSA-N 0 3 302.374 2.121 40 0 DEABHN Cn1nccc1CC1CCN(C(=O)[C@]2(C)CCCCN2C)CC1 ZINC000072367369 191137670 /nfs/dbraw/zinc/13/76/70/191137670.db2.gz QQCJEUDTUHARMF-SFHVURJKSA-N 0 3 318.465 2.076 40 0 DEABHN Cc1ccccc1O[C@@H]1CCC[C@H](N2CCC(O)CC2)[C@H]1O ZINC000585288614 357344644 /nfs/dbraw/zinc/34/46/44/357344644.db2.gz FQKZJFXYWIKBDB-CGTJXYLNSA-N 0 3 305.418 2.113 40 0 DEABHN Cc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)o1 ZINC000096245497 193598601 /nfs/dbraw/zinc/59/86/01/193598601.db2.gz XCABEXJAPJJINF-STQMWFEESA-N 0 3 317.414 2.249 40 0 DEABHN CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccc(F)cc2)CC1 ZINC000020179245 182194452 /nfs/dbraw/zinc/19/44/52/182194452.db2.gz RMXUHKONZAXAQJ-HNNXBMFYSA-N 0 3 323.412 2.378 40 0 DEABHN COC[C@H]1CN(C(=O)c2ccsc2)CC12CCN(C)CC2 ZINC000248108550 285461374 /nfs/dbraw/zinc/46/13/74/285461374.db2.gz GNDVNTMVWTZCFG-CQSZACIVSA-N 0 3 308.447 2.179 40 0 DEABHN CN1CCC[C@@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 ZINC000072382861 401709606 /nfs/dbraw/zinc/70/96/06/401709606.db2.gz DXIXJWRADYSPAP-AWEZNQCLSA-N 0 3 316.449 2.423 40 0 DEABHN COc1cc(NC(=S)NC[C@H]2CCCN(C)C2)cc(OC)c1 ZINC000009876258 401766319 /nfs/dbraw/zinc/76/63/19/401766319.db2.gz MEIFMNVYEAYJOR-GFCCVEGCSA-N 0 3 323.462 2.332 40 0 DEABHN O=C(NCCCCn1ccnc1)c1[nH]nc2c1CCCCC2 ZINC000012147246 401780632 /nfs/dbraw/zinc/78/06/32/401780632.db2.gz DYCLVZAFYOQWKK-UHFFFAOYSA-N 0 3 301.394 2.085 40 0 DEABHN CCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012290144 401782407 /nfs/dbraw/zinc/78/24/07/401782407.db2.gz OKWUIQFBPLRZCX-UHFFFAOYSA-N 0 3 300.337 2.271 40 0 DEABHN C[C@H](O)[C@@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000012650924 401789579 /nfs/dbraw/zinc/78/95/79/401789579.db2.gz CTTIQIOTCUBWFN-GOEBONIOSA-N 0 3 306.406 2.100 40 0 DEABHN CO[C@@H]1CCN(C2CCC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108585 402059878 /nfs/dbraw/zinc/05/98/78/402059878.db2.gz DLDGENYHUJEZMN-RCCFBDPRSA-N 0 3 301.434 2.155 40 0 DEABHN Cc1ccc(CN2CCC3(C[C@H](NC(=O)C(C)C)CO3)CC2)o1 ZINC000096220617 402071810 /nfs/dbraw/zinc/07/18/10/402071810.db2.gz WEOLARVUKLCIJM-HNNXBMFYSA-N 0 3 320.433 2.484 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000096228887 402072279 /nfs/dbraw/zinc/07/22/79/402072279.db2.gz ASGGXUFSINJGCF-SFHVURJKSA-N 0 3 320.408 2.400 40 0 DEABHN CN1CCOC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000096228731 402072561 /nfs/dbraw/zinc/07/25/61/402072561.db2.gz PAPPWRWDENJMCM-KRWDZBQOSA-N 0 3 306.381 2.010 40 0 DEABHN Cn1cc(N2CC[C@@]3(CCCN(Cc4ccoc4)C3)C2=O)cn1 ZINC000096224623 402072788 /nfs/dbraw/zinc/07/27/88/402072788.db2.gz NJUGVZIJIXNMIQ-QGZVFWFLSA-N 0 3 314.389 2.032 40 0 DEABHN COCCN1CCC2(CCN(Cc3ccc(C)cc3)CC2)C1=O ZINC000096157758 402063346 /nfs/dbraw/zinc/06/33/46/402063346.db2.gz VMMPYTQZHGYSPB-UHFFFAOYSA-N 0 3 316.445 2.456 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC000096161655 402063911 /nfs/dbraw/zinc/06/39/11/402063911.db2.gz CMBUBDGBYBYDLR-OKILXGFUSA-N 0 3 318.446 2.312 40 0 DEABHN Cn1cccc1C(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202769 402068739 /nfs/dbraw/zinc/06/87/39/402068739.db2.gz KLLNQRNQKDDGSB-UHFFFAOYSA-N 0 3 315.442 2.435 40 0 DEABHN CCN1CCN(c2ccc(N)cc2NC(=O)C(C)(C)C)CC1 ZINC000226258310 402326828 /nfs/dbraw/zinc/32/68/28/402326828.db2.gz NLYJNHHQFKRBPK-UHFFFAOYSA-N 0 3 304.438 2.395 40 0 DEABHN CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cs1 ZINC000257212321 402703773 /nfs/dbraw/zinc/70/37/73/402703773.db2.gz CCUZGIHOITXOCR-ZIAGYGMSSA-N 0 3 308.447 2.153 40 0 DEABHN COCCN1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257233761 402707076 /nfs/dbraw/zinc/70/70/76/402707076.db2.gz GQPVPJQGPYJGNZ-UHFFFAOYSA-N 0 3 313.405 2.441 40 0 DEABHN C[C@]12C[C@@H](c3ccccc3F)N(CCO)[C@H]1CCCCC(=O)N2 ZINC000257254550 402708690 /nfs/dbraw/zinc/70/86/90/402708690.db2.gz KDPFHQZPRGPYRR-BQFCYCMXSA-N 0 3 320.408 2.382 40 0 DEABHN CN1C(=O)CO[C@@H]2CCN(Cc3cc4ccccc4s3)C[C@@H]21 ZINC000257260117 402709894 /nfs/dbraw/zinc/70/98/94/402709894.db2.gz LBJFLMSYKHTPBP-LSDHHAIUSA-N 0 3 316.426 2.333 40 0 DEABHN Cc1nc([C@]2(C)CCCN(CC(C)C)C2)nc2c1CC(=O)N2C ZINC000257315661 402712100 /nfs/dbraw/zinc/71/21/00/402712100.db2.gz VCIBJTFFCPVPAF-GOSISDBHSA-N 0 3 316.449 2.313 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000097953384 332203369 /nfs/dbraw/zinc/20/33/69/332203369.db2.gz XXRDDMRXADDRTI-RCCFBDPRSA-N 0 3 314.429 2.050 40 0 DEABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000072324797 191122669 /nfs/dbraw/zinc/12/26/69/191122669.db2.gz CWRPDHISSPOZMD-BYCMXARLSA-N 0 3 314.351 2.345 40 0 DEABHN c1cn(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)cn1 ZINC000072350554 191127883 /nfs/dbraw/zinc/12/78/83/191127883.db2.gz LHAJDUSSJFCIIH-MRXNPFEDSA-N 0 3 320.400 2.437 40 0 DEABHN c1cn(-c2cncc([C@H]3CCCN(Cc4ccncc4)C3)n2)cn1 ZINC000072355437 191129608 /nfs/dbraw/zinc/12/96/08/191129608.db2.gz BTYSSYTUIZLRBG-INIZCTEOSA-N 0 3 320.400 2.437 40 0 DEABHN Cc1cccc(Nc2cnc([C@@H]3CCCN(CCO)C3)cn2)n1 ZINC000072361631 191131688 /nfs/dbraw/zinc/13/16/88/191131688.db2.gz HXIXHASLSLOUBL-CQSZACIVSA-N 0 3 313.405 2.095 40 0 DEABHN Cc1cc(C(=O)N2CCC[C@@H](C)C2)nc(C2CCN(C)CC2)n1 ZINC000072369293 191140075 /nfs/dbraw/zinc/14/00/75/191140075.db2.gz YHMSGJXYMHFOEL-CYBMUJFWSA-N 0 3 316.449 2.466 40 0 DEABHN CC(C)N1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104867 357334220 /nfs/dbraw/zinc/33/42/20/357334220.db2.gz WFNCSSBRSNSUCW-GOSISDBHSA-N 0 3 302.418 2.146 40 0 DEABHN CNc1ncccc1CN1CCNC[C@H]1c1ccc(OC)cc1 ZINC000585182265 357340031 /nfs/dbraw/zinc/34/00/31/357340031.db2.gz KMAUUNMPTCOJJD-KRWDZBQOSA-N 0 3 312.417 2.278 40 0 DEABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccoc3)CC2)O1 ZINC000096061162 283948787 /nfs/dbraw/zinc/94/87/87/283948787.db2.gz OINLAZYPIMNDMQ-MRXNPFEDSA-N 0 3 318.417 2.319 40 0 DEABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(=O)[nH]1 ZINC000257330659 203053452 /nfs/dbraw/zinc/05/34/52/203053452.db2.gz XPIYMCXWXHTXQR-WLLUSJSYSA-N 0 3 315.417 2.265 40 0 DEABHN CN(C)Cc1cncc([C@@H]2CCCN2CC2CCOCC2)n1 ZINC000257322874 203048340 /nfs/dbraw/zinc/04/83/40/203048340.db2.gz WHUCOSHFRLMHSX-KRWDZBQOSA-N 0 3 304.438 2.102 40 0 DEABHN O=C(NCCNc1ccncc1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000530262709 284389586 /nfs/dbraw/zinc/38/95/86/284389586.db2.gz XTUCPZGVHJMGRE-IAGOWNOFSA-N 0 3 313.376 2.365 40 0 DEABHN COc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019565453 182129883 /nfs/dbraw/zinc/12/98/83/182129883.db2.gz QYABVKGZZGSPEL-GOSISDBHSA-N 0 3 324.428 2.468 40 0 DEABHN COc1ccc(CCNC(=O)CC2CCN(C)CC2)cc1OC ZINC000001581977 401708540 /nfs/dbraw/zinc/70/85/40/401708540.db2.gz LVLMPDGEDWBYRM-UHFFFAOYSA-N 0 3 320.433 2.094 40 0 DEABHN COc1ccc([C@@H](O)[C@H](NCCO)c2ccc(OC)cc2)cc1 ZINC000001668850 401709988 /nfs/dbraw/zinc/70/99/88/401709988.db2.gz PDPNQUZPEWAQHI-QZTJIDSGSA-N 0 3 317.385 2.060 40 0 DEABHN Cn1cc(CN2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cn1 ZINC000096109224 402059784 /nfs/dbraw/zinc/05/97/84/402059784.db2.gz XAFGCQIAMXUNMY-AEFFLSMTSA-N 0 3 312.417 2.496 40 0 DEABHN c1cncc(OC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)c1 ZINC000096108824 402059790 /nfs/dbraw/zinc/05/97/90/402059790.db2.gz ITFWXXYSPRGPHK-AEFFLSMTSA-N 0 3 311.385 2.004 40 0 DEABHN c1cnc(N2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096047157 402050123 /nfs/dbraw/zinc/05/01/23/402050123.db2.gz ABFYUKILRKSJIT-GOSISDBHSA-N 0 3 309.417 2.364 40 0 DEABHN CC(C)N1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049716 402051106 /nfs/dbraw/zinc/05/11/06/402051106.db2.gz QUIWMOYBSDKURI-MRXNPFEDSA-N 0 3 310.463 2.060 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3C)C2)C1 ZINC000096049604 402051276 /nfs/dbraw/zinc/05/12/76/402051276.db2.gz RTOAHZKNKAWUTI-KRWDZBQOSA-N 0 3 306.406 2.163 40 0 DEABHN c1cc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@H]3C2)co1 ZINC000096055117 402053033 /nfs/dbraw/zinc/05/30/33/402053033.db2.gz ZTYRPVKALQMTBF-ROUUACIJSA-N 0 3 313.401 2.150 40 0 DEABHN Cc1cccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)n1 ZINC000096061738 402055948 /nfs/dbraw/zinc/05/59/48/402055948.db2.gz GHUTYCSFPPRNQB-MSOLQXFVSA-N 0 3 324.428 2.172 40 0 DEABHN C1CC1c1nnc([C@@H]2C[C@@H]3CCN(C4CCOCC4)C[C@H]3O2)o1 ZINC000096070682 402056275 /nfs/dbraw/zinc/05/62/75/402056275.db2.gz RWURHEYDIIMMSX-AEGPPILISA-N 0 3 319.405 2.278 40 0 DEABHN CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccoc3)C2)O1 ZINC000096208312 402069739 /nfs/dbraw/zinc/06/97/39/402069739.db2.gz DVPBMDOFOUBVSI-DOTOQJQBSA-N 0 3 321.421 2.064 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228877 402072506 /nfs/dbraw/zinc/07/25/06/402072506.db2.gz UJIQSACLCDOJQH-KRWDZBQOSA-N 0 3 322.474 2.252 40 0 DEABHN CC(C)N1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000096230050 402073052 /nfs/dbraw/zinc/07/30/52/402073052.db2.gz CRCSZKJLLIBOKS-UHFFFAOYSA-N 0 3 321.490 2.265 40 0 DEABHN O=C1C[C@]2(CCN(Cc3ccccc3)C2)CN1c1cncnc1 ZINC000096239205 402073783 /nfs/dbraw/zinc/07/37/83/402073783.db2.gz LOHVREUUXBZTJO-SFHVURJKSA-N 0 3 308.385 2.106 40 0 DEABHN Cc1nc(N2CCOCC2)nc2c1CN(CCC(C)C)CC2 ZINC000096253884 402075050 /nfs/dbraw/zinc/07/50/50/402075050.db2.gz ONFBVAGWMNLGIH-UHFFFAOYSA-N 0 3 304.438 2.026 40 0 DEABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccn3)CCO2)c1 ZINC000257223658 402704796 /nfs/dbraw/zinc/70/47/96/402704796.db2.gz DYIZOPLTPRRUIE-INIZCTEOSA-N 0 3 312.373 2.040 40 0 DEABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccnc3)C2)n1 ZINC000257245352 402707993 /nfs/dbraw/zinc/70/79/93/402707993.db2.gz IPCNBYVRNWKXBP-HNNXBMFYSA-N 0 3 310.401 2.481 40 0 DEABHN CC(=O)N1CCC(N2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 ZINC000257309662 402712057 /nfs/dbraw/zinc/71/20/57/402712057.db2.gz UBWCWEQYSNYWPJ-KRWDZBQOSA-N 0 3 316.449 2.295 40 0 DEABHN c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CC2)c1 ZINC000253591477 402669366 /nfs/dbraw/zinc/66/93/66/402669366.db2.gz NWFXXZXNVXZXAQ-KSZLIROESA-N 0 3 302.418 2.488 40 0 DEABHN CN(C)CCNc1nc(Nc2ccc(O)cc2)cc(C2CC2)n1 ZINC000329013548 424902698 /nfs/dbraw/zinc/90/26/98/424902698.db2.gz MQLPNWNOPFWADQ-UHFFFAOYSA-N 0 3 313.405 2.777 40 0 DEABHN Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096047721 355698269 /nfs/dbraw/zinc/69/82/69/355698269.db2.gz HELMIZKCOVWXMQ-WMLDXEAASA-N 0 3 314.389 2.224 40 0 DEABHN O[C@]1(COc2cccc(F)c2)COCCN(C2CCCC2)C1 ZINC000585269328 357341281 /nfs/dbraw/zinc/34/12/81/357341281.db2.gz PHJMBSQVGSMRCG-KRWDZBQOSA-N 0 3 309.381 2.210 40 0 DEABHN Cc1cccc(O[C@@H]2CCC[C@H](CNCc3c[nH]cn3)[C@H]2O)c1 ZINC000585285211 357344325 /nfs/dbraw/zinc/34/43/25/357344325.db2.gz AKYXGVRJKNWNBT-ZTFGCOKTSA-N 0 3 315.417 2.416 40 0 DEABHN Cc1cccc(O[C@@H]2CCC[C@H](CNCc3cnc[nH]3)[C@H]2O)c1 ZINC000585285211 357344329 /nfs/dbraw/zinc/34/43/29/357344329.db2.gz AKYXGVRJKNWNBT-ZTFGCOKTSA-N 0 3 315.417 2.416 40 0 DEABHN COC[C@H]1CC2(CO1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096105757 193539261 /nfs/dbraw/zinc/53/92/61/193539261.db2.gz XGXQWJWPKLNGNR-OAHLLOKOSA-N 0 3 319.401 2.433 40 0 DEABHN CCc1c(C)nc([C@@H]2CCCN(Cc3ccncc3)C2)[nH]c1=O ZINC000019521560 182127495 /nfs/dbraw/zinc/12/74/95/182127495.db2.gz ZCXZKLYAULXOON-OAHLLOKOSA-N 0 3 312.417 2.415 40 0 DEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019575953 182131241 /nfs/dbraw/zinc/13/12/41/182131241.db2.gz NEGDXXNUJDBBQV-FPMFFAJLSA-N 0 3 314.351 2.345 40 0 DEABHN COc1cccc([C@@H](N)c2nc(CNc3ccccc3)n[nH]2)c1 ZINC000095533543 257137975 /nfs/dbraw/zinc/13/79/75/257137975.db2.gz QSYSUZYJTNTAJH-MRXNPFEDSA-N 0 3 309.373 2.474 40 0 DEABHN COc1ccc([C@H](O)[C@@H](NCCO)c2ccc(OC)cc2)cc1 ZINC000001668851 401709597 /nfs/dbraw/zinc/70/95/97/401709597.db2.gz PDPNQUZPEWAQHI-ROUUACIJSA-N 0 3 317.385 2.060 40 0 DEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)cc1)CC[C@H]2OC ZINC000096108518 402059554 /nfs/dbraw/zinc/05/95/54/402059554.db2.gz OZXDYNSVININMC-GVDBMIGSSA-N 0 3 302.418 2.176 40 0 DEABHN CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042887 402049487 /nfs/dbraw/zinc/04/94/87/402049487.db2.gz NWEYDZJOTSJOBT-OKZBNKHCSA-N 0 3 316.445 2.233 40 0 DEABHN COCCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC000096046503 402050579 /nfs/dbraw/zinc/05/05/79/402050579.db2.gz GFRWLQZWFKRBOI-SFHVURJKSA-N 0 3 320.408 2.287 40 0 DEABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccco1)C2 ZINC000096048696 402050638 /nfs/dbraw/zinc/05/06/38/402050638.db2.gz GCGDEQQWMMGJDV-KRWDZBQOSA-N 0 3 312.373 2.089 40 0 DEABHN c1cc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047713 402050784 /nfs/dbraw/zinc/05/07/84/402050784.db2.gz PABDGCHCXFCCED-GOEBONIOSA-N 0 3 316.430 2.384 40 0 DEABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccsc3)C2)O1 ZINC000096052277 402051753 /nfs/dbraw/zinc/05/17/53/402051753.db2.gz NOVMIMVTLUHJPV-JKSUJKDBSA-N 0 3 310.463 2.060 40 0 DEABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)o1 ZINC000096050829 402051869 /nfs/dbraw/zinc/05/18/69/402051869.db2.gz FEYTYFQLCODAQO-KRWDZBQOSA-N 0 3 312.373 2.007 40 0 DEABHN Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)C3(C2)CCOCC3)o1 ZINC000096052098 402051879 /nfs/dbraw/zinc/05/18/79/402051879.db2.gz MJFLEWRJRYWZOI-INIZCTEOSA-N 0 3 320.433 2.341 40 0 DEABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 ZINC000096076254 402057102 /nfs/dbraw/zinc/05/71/02/402057102.db2.gz KTUIDGIHAALMET-SFHVURJKSA-N 0 3 317.433 2.045 40 0 DEABHN Cn1cc(CN2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1 ZINC000096224481 402071696 /nfs/dbraw/zinc/07/16/96/402071696.db2.gz KWAKZBZYOMNHSV-LJQANCHMSA-N 0 3 324.428 2.439 40 0 DEABHN Cc1cccc(CN2CC[C@@]3(CC(=O)N(c4ccccn4)C3)C2)n1 ZINC000096239144 402073037 /nfs/dbraw/zinc/07/30/37/402073037.db2.gz BXUQDXAGMLDNRH-LJQANCHMSA-N 0 3 322.412 2.414 40 0 DEABHN CCN1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 ZINC000096260517 402075488 /nfs/dbraw/zinc/07/54/88/402075488.db2.gz CHBDRWHNNNWYDM-UHFFFAOYSA-N 0 3 318.465 2.272 40 0 DEABHN CO[C@@H]1COC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096158774 402063273 /nfs/dbraw/zinc/06/32/73/402063273.db2.gz UXAFQOJQTMFQOJ-AWEZNQCLSA-N 0 3 305.374 2.185 40 0 DEABHN c1csc(CN2CC[C@]3(C2)COCCN([C@@H]2CCOC2)C3)c1 ZINC000096202181 402068665 /nfs/dbraw/zinc/06/86/65/402068665.db2.gz XGZSTFVDFDCHJZ-NVXWUHKLSA-N 0 3 322.474 2.061 40 0 DEABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccccc1Cl)CC2 ZINC000096206129 402068702 /nfs/dbraw/zinc/06/87/02/402068702.db2.gz OVVHYNIQHYGGCK-AWEZNQCLSA-N 0 3 322.836 2.315 40 0 DEABHN Cn1nccc1CN1CCC2(CC(Nc3ncccn3)C2)CC1 ZINC000108528063 402255777 /nfs/dbraw/zinc/25/57/77/402255777.db2.gz JUFUMJACALGSDY-UHFFFAOYSA-N 0 3 312.421 2.067 40 0 DEABHN O=C(NCCN1CCCCC1)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975619 402325588 /nfs/dbraw/zinc/32/55/88/402325588.db2.gz AZOLNSPSDYKHHB-UHFFFAOYSA-N 0 3 306.797 2.432 40 0 DEABHN COCCN1CCC[C@@H](c2cncc(-c3c(C)n[nH]c3C)n2)C1 ZINC000257232302 402706430 /nfs/dbraw/zinc/70/64/30/402706430.db2.gz GKGQZQUOFIWJFF-CQSZACIVSA-N 0 3 315.421 2.309 40 0 DEABHN Cc1c[nH]c([C@H]2CCN(Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257253823 402709120 /nfs/dbraw/zinc/70/91/20/402709120.db2.gz KAKANTGVCFMQIB-AWEZNQCLSA-N 0 3 310.405 2.367 40 0 DEABHN Cc1ccccc1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257262151 402709844 /nfs/dbraw/zinc/70/98/44/402709844.db2.gz LKIDXDVOSOEWFG-HNNXBMFYSA-N 0 3 313.401 2.182 40 0 DEABHN Cc1ccccc1C[N@H+]1CCOC[C@@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257262151 402709846 /nfs/dbraw/zinc/70/98/46/402709846.db2.gz LKIDXDVOSOEWFG-HNNXBMFYSA-N 0 3 313.401 2.182 40 0 DEABHN CC(C)N1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 ZINC000253399503 402663488 /nfs/dbraw/zinc/66/34/88/402663488.db2.gz JNEWGGHFYAIRGV-KRWDZBQOSA-N 0 3 315.461 2.316 40 0 biogenic,in-vitro DEABHN COCCN1CCC2(C[C@H](CC(N)=O)c3ccc(F)cc32)CC1 ZINC000096100178 277515024 /nfs/dbraw/zinc/51/50/24/277515024.db2.gz ZOQFXLDHDCMENO-ZDUSSCGKSA-N 0 3 320.408 2.168 40 0 DEABHN CN(CCN1CCCCC1)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000012325904 289651692 /nfs/dbraw/zinc/65/16/92/289651692.db2.gz DVHHLHUZHLUMFM-HNNXBMFYSA-N 0 3 315.417 2.057 40 0 DEABHN CCN(CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391672 185168382 /nfs/dbraw/zinc/16/83/82/185168382.db2.gz KEULSGIYHYHLER-INIZCTEOSA-N 0 3 306.406 2.102 40 0 DEABHN CC(C)N1NC2(CCN(Cc3ccccc3)CC2)NC1=S ZINC000225350195 539729759 /nfs/dbraw/zinc/72/97/59/539729759.db2.gz SVGKGGSFQHDCJQ-UHFFFAOYSA-N 0 3 304.463 2.082 40 0 DEABHN Cc1cc(C(=O)N2CCC(C)CC2)nc(C2CCN(C)CC2)n1 ZINC000072365891 191135986 /nfs/dbraw/zinc/13/59/86/191135986.db2.gz BWERORMBXSUYEB-UHFFFAOYSA-N 0 3 316.449 2.466 40 0 DEABHN COCCN1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072367899 191137619 /nfs/dbraw/zinc/13/76/19/191137619.db2.gz HUUZOPPXFGLXMY-OAHLLOKOSA-N 0 3 313.405 2.441 40 0 DEABHN CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000174249280 198310247 /nfs/dbraw/zinc/31/02/47/198310247.db2.gz RBFJSQZPDDDVBZ-UHFFFAOYSA-N 0 3 317.433 2.449 40 0 DEABHN CCN(CC)CCNC(=O)Nc1c[nH]c2c(C)cccc2c1=O ZINC000004907486 181171606 /nfs/dbraw/zinc/17/16/06/181171606.db2.gz WENFRPROBWXMKR-UHFFFAOYSA-N 0 3 316.405 2.300 40 0 DEABHN COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2)ccc1Cl ZINC000073692201 191341423 /nfs/dbraw/zinc/34/14/23/191341423.db2.gz DPZNNRLIBSGZJQ-SNVBAGLBSA-N 0 3 310.781 2.407 40 0 DEABHN CCOCC[C@@H]1CCOC12CCN(Cc1cnn(C)c1)CC2 ZINC000585103251 357333783 /nfs/dbraw/zinc/33/37/83/357333783.db2.gz AMCQFICUVRZKGI-MRXNPFEDSA-N 0 3 307.438 2.218 40 0 DEABHN Cc1ccc2[nH]c(=O)c(CNC[C@H](O)COC(C)C)cc2c1 ZINC000585291812 357345984 /nfs/dbraw/zinc/34/59/84/357345984.db2.gz DMMOKMDVKFPMSX-HNNXBMFYSA-N 0 3 304.390 2.124 40 0 DEABHN Cc1ccc(N(C)[C@H]2COC3(C2)CCN(CCO)CC3)cc1 ZINC000257276521 203003965 /nfs/dbraw/zinc/00/39/65/203003965.db2.gz NUCGMPLUTGPLFM-QGZVFWFLSA-N 0 3 304.434 2.047 40 0 DEABHN COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C ZINC000257294709 203019737 /nfs/dbraw/zinc/01/97/37/203019737.db2.gz QVISNGMBBCFFKW-FRQROOTJSA-N 0 3 315.417 2.178 40 0 DEABHN COCCN1CCC[C@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257326957 203050838 /nfs/dbraw/zinc/05/08/38/203050838.db2.gz WZGFNDMSYRXOPC-AWEZNQCLSA-N 0 3 300.406 2.308 40 0 DEABHN COCCN1CCC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1 ZINC000257339701 203062837 /nfs/dbraw/zinc/06/28/37/203062837.db2.gz ZCVLQWFAPYLGRN-AWEZNQCLSA-N 0 3 315.421 2.011 40 0 DEABHN CCN(C)c1ncnc2c1CCN(Cc1ccc(C)o1)CC2 ZINC000096058790 193510680 /nfs/dbraw/zinc/51/06/80/193510680.db2.gz BNBSQIHJHYXMAP-UHFFFAOYSA-N 0 3 300.406 2.435 40 0 DEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000019575943 182131518 /nfs/dbraw/zinc/13/15/18/182131518.db2.gz CWRPDHISSPOZMD-NILFDRSVSA-N 0 3 314.351 2.345 40 0 DEABHN CC[C@@H]1CN(C(=O)c2cnc(C)[nH]2)CCN1Cc1ccccc1 ZINC000273840798 211103558 /nfs/dbraw/zinc/10/35/58/211103558.db2.gz GVYXQCGRXFJLLM-MRXNPFEDSA-N 0 3 312.417 2.455 40 0 DEABHN COc1ccc(F)cc1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000285102045 218292371 /nfs/dbraw/zinc/29/23/71/218292371.db2.gz KJODBHXJYPUPKG-KBPBESRZSA-N 0 3 315.410 2.280 40 0 DEABHN Nc1nc(N)nc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000001693824 401709908 /nfs/dbraw/zinc/70/99/08/401709908.db2.gz ZTTRDDAQBRTOPO-UHFFFAOYSA-N 0 3 306.373 2.243 40 0 DEABHN O=C(CNC1CCCCC1)Nc1ccccc1N1CCOCC1 ZINC000035311453 401898556 /nfs/dbraw/zinc/89/85/56/401898556.db2.gz KAAXIVJHCQXTFE-UHFFFAOYSA-N 0 3 317.433 2.384 40 0 DEABHN COc1ccc(-c2noc([C@@H]3C[C@H](N(C)C)CN3C)n2)cc1 ZINC000035424521 401899496 /nfs/dbraw/zinc/89/94/96/401899496.db2.gz GSGQDEXTEZCKTR-JSGCOSHPSA-N 0 3 302.378 2.052 40 0 biogenic,in-vitro DEABHN Cc1ccc([C@H](CNCc2cccnc2)N2CCOCC2)o1 ZINC000135946408 401956105 /nfs/dbraw/zinc/95/61/05/401956105.db2.gz DHRPBKRAEVSLOL-INIZCTEOSA-N 0 3 301.390 2.146 40 0 DEABHN O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccsc3)CC[C@H]12)C1CC1 ZINC000096110765 402060469 /nfs/dbraw/zinc/06/04/69/402060469.db2.gz JWQBFXSFAWSZNN-JYJNAYRXSA-N 0 3 320.458 2.111 40 0 DEABHN Cc1ccc(CN2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)o1 ZINC000096048886 402051346 /nfs/dbraw/zinc/05/13/46/402051346.db2.gz NMHRLHSWSBKWEE-WBVHZDCISA-N 0 3 306.406 2.047 40 0 DEABHN O=C(c1cccs1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053830 402051765 /nfs/dbraw/zinc/05/17/65/402051765.db2.gz CAUOMKYEGRQVSW-ZIAGYGMSSA-N 0 3 313.426 2.347 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1cccs1 ZINC000096055202 402052927 /nfs/dbraw/zinc/05/29/27/402052927.db2.gz TZDISLJCDSEHBM-BHYGNILZSA-N 0 3 324.490 2.306 40 0 DEABHN c1ccc(-c2nnn3c2CO[C@H](CNCc2ccccn2)C3)cc1 ZINC000096061089 402054899 /nfs/dbraw/zinc/05/48/99/402054899.db2.gz CRJFTSUMCNMPLH-MRXNPFEDSA-N 0 3 321.384 2.029 40 0 DEABHN c1cc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)co1 ZINC000096061073 402055030 /nfs/dbraw/zinc/05/50/30/402055030.db2.gz KIIOVRQHWRNRNQ-OAHLLOKOSA-N 0 3 310.357 2.227 40 0 DEABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)NCC1CC1 ZINC000096206116 402069001 /nfs/dbraw/zinc/06/90/01/402069001.db2.gz KILRMCFZXMKVGA-ZACQAIPSSA-N 0 3 318.417 2.033 40 0 DEABHN CN(C)C(=O)CN1CCC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096214874 402070836 /nfs/dbraw/zinc/07/08/36/402070836.db2.gz QBMJLHUXGHBZLJ-KRWDZBQOSA-N 0 3 321.490 2.267 40 0 DEABHN Cc1nc(N2CCCC2)nc2c1CCN(Cc1ccncc1)CC2 ZINC000096254542 402074445 /nfs/dbraw/zinc/07/44/45/402074445.db2.gz QVLSKOJIIYZQRD-UHFFFAOYSA-N 0 3 323.444 2.381 40 0 DEABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253367 402074904 /nfs/dbraw/zinc/07/49/04/402074904.db2.gz HHLIVXQIIDPOOH-OWCLPIDISA-N 0 3 303.406 2.156 40 0 DEABHN Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccs2)cn1 ZINC000096186477 402066115 /nfs/dbraw/zinc/06/61/15/402066115.db2.gz DDXDDGVQJIVCGL-HUUCEWRRSA-N 0 3 316.430 2.252 40 0 DEABHN CCCN1CCOC[C@]2(CCN(Cc3csc(C)n3)C2)C1 ZINC000096202117 402068825 /nfs/dbraw/zinc/06/88/25/402068825.db2.gz BJBHUSMERVFQOS-MRXNPFEDSA-N 0 3 309.479 2.386 40 0 DEABHN CC(C)(C)c1cc(CC2(N[C@H]3CC[C@@H](CO)CC3)COC2)no1 ZINC000100042138 402139315 /nfs/dbraw/zinc/13/93/15/402139315.db2.gz UQBOTIUWMHIONT-HDJSIYSDSA-N 0 3 322.449 2.424 40 0 biogenic,in-vitro DEABHN COc1ccc(N2C(=O)C[C@@H](NC3CCC(C)CC3)C2=O)cc1 ZINC000100619710 402141778 /nfs/dbraw/zinc/14/17/78/402141778.db2.gz RLKIPKNDFSNFRW-SEEARECTSA-N 0 3 316.401 2.495 40 0 DEABHN O=C(C[C@H]1[C@H]2CN(Cc3ccco3)C[C@@H]12)NCc1ccco1 ZINC000107745931 402240227 /nfs/dbraw/zinc/24/02/27/402240227.db2.gz QNRCQYJTCANNLO-MUJYYYPQSA-N 0 3 300.358 2.257 40 0 DEABHN c1csc(CN2CC[C@]3(C2)COCCN([C@H]2CCOC2)C3)c1 ZINC000247855387 402577002 /nfs/dbraw/zinc/57/70/02/402577002.db2.gz XGZSTFVDFDCHJZ-DOTOQJQBSA-N 0 3 322.474 2.061 40 0 DEABHN c1ccc([C@@H]2CNCCN2Cc2ccnc(N3CCCC3)n2)cc1 ZINC000257242126 402707521 /nfs/dbraw/zinc/70/75/21/402707521.db2.gz IBETUYZNYMTIDW-SFHVURJKSA-N 0 3 323.444 2.223 40 0 DEABHN Clc1ccccc1OCCc1cc([C@H]2CNCCO2)n[nH]1 ZINC000257248666 402708437 /nfs/dbraw/zinc/70/84/37/402708437.db2.gz JESBNHYTAMSFRF-OAHLLOKOSA-N 0 3 307.781 2.346 40 0 DEABHN COCCN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257249518 402708488 /nfs/dbraw/zinc/70/84/88/402708488.db2.gz JISICRJFHCWYIH-UHFFFAOYSA-N 0 3 313.405 2.441 40 0 DEABHN Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CCN3CCO)c1 ZINC000257291802 402711591 /nfs/dbraw/zinc/71/15/91/402711591.db2.gz QIQNCPHPVQRKPS-ZWKOTPCHSA-N 0 3 316.445 2.333 40 0 DEABHN CCCc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)n(C)n1 ZINC000257331454 402711946 /nfs/dbraw/zinc/71/19/46/402711946.db2.gz XSXDYSULLMGQNL-WMZOPIPTSA-N 0 3 318.465 2.462 40 0 DEABHN CCN(CCN(C)C)Cc1cnc([C@@]2(C)CCCCO2)nc1 ZINC000257203518 402702549 /nfs/dbraw/zinc/70/25/49/402702549.db2.gz AQKXAFQRFVHQHK-QGZVFWFLSA-N 0 3 306.454 2.276 40 0 DEABHN COc1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2N)cc1 ZINC000035337497 277936284 /nfs/dbraw/zinc/93/62/84/277936284.db2.gz IWWSVINQONJVDG-BBWFWOEESA-N 0 3 321.384 2.370 40 0 DEABHN c1csc(CN[C@@H]2CCc3nc(N4CCCC4)ncc3C2)n1 ZINC000306137994 534522883 /nfs/dbraw/zinc/52/28/83/534522883.db2.gz RLUNHIYPAGBSMH-CYBMUJFWSA-N 0 3 315.446 2.180 40 0 DEABHN CCN(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411022 185169806 /nfs/dbraw/zinc/16/98/06/185169806.db2.gz NPLCFBXMNVQOGA-INIZCTEOSA-N 0 3 306.406 2.102 40 0 DEABHN CO[C@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000225643414 186286440 /nfs/dbraw/zinc/28/64/40/186286440.db2.gz VLFIXCFZWASZDL-KRWDZBQOSA-N 0 3 306.406 2.381 40 0 DEABHN CNC(=O)CCc1cc(C)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072366390 191135313 /nfs/dbraw/zinc/13/53/13/191135313.db2.gz WAWSOQSFVQTWFG-CQSZACIVSA-N 0 3 304.438 2.051 40 0 DEABHN CN1CCC[C@@H](Cc2cnc(C(=O)NCc3ccccc3)cn2)C1 ZINC000072382867 191142127 /nfs/dbraw/zinc/14/21/27/191142127.db2.gz ZAAIHRBOBYMRDL-INIZCTEOSA-N 0 3 324.428 2.291 40 0 DEABHN O=C1N(c2ncccn2)C[C@]12CCCN(CC1CCCCC1)C2 ZINC000585099507 357332694 /nfs/dbraw/zinc/33/26/94/357332694.db2.gz PHMZNESIOWHLBX-GOSISDBHSA-N 0 3 314.433 2.486 40 0 DEABHN CN1CCC[C@@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 ZINC000585178809 357339975 /nfs/dbraw/zinc/33/99/75/357339975.db2.gz RJJSOQHNIVTABC-CQSZACIVSA-N 0 3 317.389 2.354 40 0 DEABHN CCC(CC)N1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585276959 357342656 /nfs/dbraw/zinc/34/26/56/357342656.db2.gz SYZYUQMGKDYRTP-KRWDZBQOSA-N 0 3 311.397 2.456 40 0 DEABHN Cc1ccc2cc(CNC[C@@H](O)COC(C)C)c(=O)[nH]c2c1 ZINC000585291677 357345697 /nfs/dbraw/zinc/34/56/97/357345697.db2.gz BAGSFKYBVPPWQC-OAHLLOKOSA-N 0 3 304.390 2.124 40 0 DEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(C)on3)C2)c1 ZINC000257314516 203037772 /nfs/dbraw/zinc/03/77/72/203037772.db2.gz UXIKZEMYJNXZHZ-GFCCVEGCSA-N 0 3 300.362 2.358 40 0 DEABHN COc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1 ZINC000019285248 182112108 /nfs/dbraw/zinc/11/21/08/182112108.db2.gz CWLBPYLNCWAVAS-CYBMUJFWSA-N 0 3 317.364 2.216 40 0 DEABHN COc1cccc(CN2CCC(O)(Cn3ccnc3C)CC2)c1 ZINC000019287990 182112510 /nfs/dbraw/zinc/11/25/10/182112510.db2.gz QJNVGQGSGZSQPU-UHFFFAOYSA-N 0 3 315.417 2.227 40 0 DEABHN CCC(CC)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019500152 182126131 /nfs/dbraw/zinc/12/61/31/182126131.db2.gz AJVKTIDYXQTDQG-CQSZACIVSA-N 0 3 316.449 2.265 40 0 DEABHN CC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)c(C)n2)CC1 ZINC000072224786 257123684 /nfs/dbraw/zinc/12/36/84/257123684.db2.gz FBDOULYTEWWLEW-LJQANCHMSA-N 0 3 324.428 2.107 40 0 DEABHN COc1c2c(cc3c1CN1CC[C@@]34C=C[C@@H](OC)C[C@@H]14)OCO2 ZINC000004411134 401726342 /nfs/dbraw/zinc/72/63/42/401726342.db2.gz RNEXSBPDDRJJIY-MZKGEVEHSA-N 0 3 315.369 2.225 40 0 DEABHN O=c1oc2ccccc2n1[C@H]1CCCN(C[C@@H]2CCOC2)C1 ZINC000012336915 401784141 /nfs/dbraw/zinc/78/41/41/401784141.db2.gz DLCHUJATCCOBPN-KBPBESRZSA-N 0 3 302.374 2.268 40 0 DEABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 ZINC000096111115 402060425 /nfs/dbraw/zinc/06/04/25/402060425.db2.gz OSQJEDHSDLQINX-MRXNPFEDSA-N 0 3 320.408 2.428 40 0 DEABHN O=C1N(Cc2cccnc2)CC[C@@]12CCN(Cc1ccoc1)C2 ZINC000096050502 402051794 /nfs/dbraw/zinc/05/17/94/402051794.db2.gz XRYFSSFVMGLQNH-GOSISDBHSA-N 0 3 311.385 2.299 40 0 DEABHN O=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1cncnc1 ZINC000096050825 402052103 /nfs/dbraw/zinc/05/21/03/402052103.db2.gz ZKVIXESNHKCFRV-INIZCTEOSA-N 0 3 314.414 2.167 40 0 DEABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CN4CCCC4=O)[C@H]3C2)o1 ZINC000096056242 402052497 /nfs/dbraw/zinc/05/24/97/402052497.db2.gz MUYRYBXZMWVNRW-BHYGNILZSA-N 0 3 318.417 2.047 40 0 DEABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccsc3)C[C@H]2C1 ZINC000096053929 402052515 /nfs/dbraw/zinc/05/25/15/402052515.db2.gz SRXOOKFXUVUBFK-STQMWFEESA-N 0 3 319.455 2.409 40 0 DEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccs3)C[C@@H]2C1 ZINC000096053924 402052994 /nfs/dbraw/zinc/05/29/94/402052994.db2.gz IJLOLRJWONVDFE-VXGBXAGGSA-N 0 3 319.455 2.409 40 0 DEABHN O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096057594 402053389 /nfs/dbraw/zinc/05/33/89/402053389.db2.gz GVZNBSIGCHOSHK-NUEKZKHPSA-N 0 3 320.458 2.254 40 0 DEABHN Cc1ccc(CN2CCC3(CC[C@H](C(=O)N(C)C)O3)CC2)o1 ZINC000096061130 402054858 /nfs/dbraw/zinc/05/48/58/402054858.db2.gz FSUQSDQSPGMOCI-OAHLLOKOSA-N 0 3 306.406 2.190 40 0 DEABHN C1CC1c1nnc([C@H]2C[C@H]3CN(C4CCOCC4)CC[C@@H]3O2)o1 ZINC000096070566 402056366 /nfs/dbraw/zinc/05/63/66/402056366.db2.gz QJSIITFHDYWZTN-AEGPPILISA-N 0 3 319.405 2.278 40 0 DEABHN c1coc(CN2CCO[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2)c1 ZINC000096206353 402069692 /nfs/dbraw/zinc/06/96/92/402069692.db2.gz RIBATYPVQFJMOF-DOTOQJQBSA-N 0 3 302.374 2.205 40 0 DEABHN CN(C)C(=O)CN1CCC[C@@]12CCCN(Cc1cccs1)C2 ZINC000096214875 402070863 /nfs/dbraw/zinc/07/08/63/402070863.db2.gz MANWXQBPHMCVRI-QGZVFWFLSA-N 0 3 321.490 2.267 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228875 402072633 /nfs/dbraw/zinc/07/26/33/402072633.db2.gz LGNAMSQRGZNHGI-KRWDZBQOSA-N 0 3 322.474 2.252 40 0 DEABHN CN(C)CCNC(=O)c1ccc2c(c1)onc2-c1nccs1 ZINC000096266625 402076257 /nfs/dbraw/zinc/07/62/57/402076257.db2.gz MRXIKWRYVFHTIX-UHFFFAOYSA-N 0 3 316.386 2.243 40 0 DEABHN Fc1cnc(N2CC3(C2)CCN(Cc2ccsc2)C3)nc1 ZINC000096202757 402068750 /nfs/dbraw/zinc/06/87/50/402068750.db2.gz LOMTUISFKBBESY-UHFFFAOYSA-N 0 3 304.394 2.390 40 0 DEABHN COCCN1CCC[C@]12CCCN(C(=O)c1ccccc1)C2 ZINC000096203231 402068805 /nfs/dbraw/zinc/06/88/05/402068805.db2.gz HYAMIRLZIAWKOM-SFHVURJKSA-N 0 3 302.418 2.404 40 0 DEABHN CCOCCCNC(=O)C1CCN(Cc2ccc(C)o2)CC1 ZINC000153184325 402131413 /nfs/dbraw/zinc/13/14/13/402131413.db2.gz YKGQVZDSJNWFLH-UHFFFAOYSA-N 0 3 308.422 2.343 40 0 DEABHN O=C([C@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1)N1CCCC1 ZINC000107198141 402227785 /nfs/dbraw/zinc/22/77/85/402227785.db2.gz HMJRDRVJKBNORI-OKZBNKHCSA-N 0 3 314.429 2.083 40 0 DEABHN Cn1c(Cl)nc2ccc(C(=O)NCCN3CCCCC3)cc21 ZINC000225988072 402325392 /nfs/dbraw/zinc/32/53/92/402325392.db2.gz KUSPXZILLUUEOC-UHFFFAOYSA-N 0 3 320.824 2.442 40 0 DEABHN OCCOc1cccc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000257213624 402703983 /nfs/dbraw/zinc/70/39/83/402703983.db2.gz CIJSARDJTSIAIL-INIZCTEOSA-N 0 3 313.401 2.227 40 0 DEABHN Cc1ccccc1C[N@@H+]1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257262152 402709976 /nfs/dbraw/zinc/70/99/76/402709976.db2.gz LKIDXDVOSOEWFG-OAHLLOKOSA-N 0 3 313.401 2.182 40 0 DEABHN Cc1ccccc1C[N@H+]1CCOC[C@H](Cc2cc(=O)[n-]cn2)C1 ZINC000257262152 402709979 /nfs/dbraw/zinc/70/99/79/402709979.db2.gz LKIDXDVOSOEWFG-OAHLLOKOSA-N 0 3 313.401 2.182 40 0 DEABHN Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)ccc2o1 ZINC000257331038 402712417 /nfs/dbraw/zinc/71/24/17/402712417.db2.gz XRDOTAIJYJGZIU-HZPDHXFCSA-N 0 3 314.385 2.022 40 0 DEABHN C[C@@H]1N(C)C(=O)COC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096201507 279024617 /nfs/dbraw/zinc/02/46/17/279024617.db2.gz XYDRMGLHCOXCBH-ZDUSSCGKSA-N 0 3 306.381 2.037 40 0 DEABHN O=C(OCc1ccccc1)N1CCC[C@]2(COCCN2)CC1 ZINC000306145611 534565680 /nfs/dbraw/zinc/56/56/80/534565680.db2.gz KMECBIMQBZPRHK-QGZVFWFLSA-N 0 3 304.390 2.168 40 0 DEABHN CN1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000074707406 185010978 /nfs/dbraw/zinc/01/09/78/185010978.db2.gz HGXWJBUYHUGYQM-UHFFFAOYSA-N 0 3 321.852 2.330 40 0 DEABHN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(CCO)C1 ZINC000079411147 185170144 /nfs/dbraw/zinc/17/01/44/185170144.db2.gz NYQJXGOHNLAGIF-QGZVFWFLSA-N 0 3 320.433 2.490 40 0 DEABHN COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN(C)C2)c1 ZINC000082334702 185176129 /nfs/dbraw/zinc/17/61/29/185176129.db2.gz GZFBSXZGGSNROT-LLVKDONJSA-N 0 3 310.781 2.407 40 0 DEABHN Cc1cccc(CN2CCC3(CC(NC(=O)N(C)C)C3)CC2)n1 ZINC000108532392 185520237 /nfs/dbraw/zinc/52/02/37/185520237.db2.gz RULAMBHQXSBJDM-UHFFFAOYSA-N 0 3 316.449 2.406 40 0 DEABHN Cc1cncnc1C1CCN(C(=O)[C@@]2(C)CCCCN2C)CC1 ZINC000072367291 191137805 /nfs/dbraw/zinc/13/78/05/191137805.db2.gz KYEBPTTZEFQHFH-GOSISDBHSA-N 0 3 316.449 2.365 40 0 DEABHN Cc1cccnc1Nc1nccc([C@H]2CCCN(CCO)C2)n1 ZINC000072377399 191139693 /nfs/dbraw/zinc/13/96/93/191139693.db2.gz MZDRZWGPBFOEBB-AWEZNQCLSA-N 0 3 313.405 2.095 40 0 DEABHN Cc1cc(C(=O)N2CCC[C@H](C)C2)nc(C2CCN(C)CC2)n1 ZINC000072369292 191140010 /nfs/dbraw/zinc/14/00/10/191140010.db2.gz YHMSGJXYMHFOEL-ZDUSSCGKSA-N 0 3 316.449 2.466 40 0 DEABHN CCOc1ccc2[nH]c(=O)c(CNC[C@H]3CCCO3)cc2c1 ZINC000006493513 181345935 /nfs/dbraw/zinc/34/59/35/181345935.db2.gz RIXUAIMNEPAEHA-OAHLLOKOSA-N 0 3 302.374 2.195 40 0 DEABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccccc2)c1 ZINC000257303780 203027077 /nfs/dbraw/zinc/02/70/77/203027077.db2.gz SIRSQCAYULCBQD-UHFFFAOYSA-N 0 3 306.369 2.261 40 0 DEABHN Cc1cc(CC2CCN(CC(=O)N3CCCC3)CC2)ccn1 ZINC000257310147 203035405 /nfs/dbraw/zinc/03/54/05/203035405.db2.gz UDVUBPHMHYJHFD-UHFFFAOYSA-N 0 3 301.434 2.267 40 0 DEABHN Cc1cncc(C(=O)N2CC[C@@]3(C2)CCC[C@H](CN(C)C)O3)c1 ZINC000096209204 193582678 /nfs/dbraw/zinc/58/26/78/193582678.db2.gz BZJSHTBRHACHQV-SJLPKXTDSA-N 0 3 317.433 2.105 40 0 DEABHN O=C(Cc1ccccc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019370291 182120310 /nfs/dbraw/zinc/12/03/10/182120310.db2.gz QWQHUSWJOUAKBN-QGZVFWFLSA-N 0 3 322.412 2.029 40 0 DEABHN CN(CCN1CCCCC1)C(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000019657677 182135532 /nfs/dbraw/zinc/13/55/32/182135532.db2.gz QCBAMQHYMWDMEI-UHFFFAOYSA-N 0 3 313.405 2.030 40 0 DEABHN CN(CCN1CCCCC1)Cc1ccnn1[C@H]1CCCCO1 ZINC000022916169 182341119 /nfs/dbraw/zinc/34/11/19/182341119.db2.gz STTNLKPRPHQFDP-QGZVFWFLSA-N 0 3 306.454 2.500 40 0 DEABHN CCN1CCC[C@H]1CN(Cc1cnn(C)c1)Cc1ccco1 ZINC000022916097 182341162 /nfs/dbraw/zinc/34/11/62/182341162.db2.gz ULMXWFLFXJPBEK-INIZCTEOSA-N 0 3 302.422 2.500 40 0 DEABHN CC(=O)N1CCN(c2ncc([C@H](N)c3ccccc3)cc2C)CC1 ZINC000072222699 257123781 /nfs/dbraw/zinc/12/37/81/257123781.db2.gz LCYFRZLCMWZPMO-GOSISDBHSA-N 0 3 324.428 2.107 40 0 DEABHN Cc1occc1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096110643 257134804 /nfs/dbraw/zinc/13/48/04/257134804.db2.gz AFZOOEWTNSMXHW-HUUCEWRRSA-N 0 3 311.385 2.187 40 0 DEABHN C[C@@H](COc1ccccc1)N[C@@H](CO)[C@H](O)c1ccccc1 ZINC000000004753 401687381 /nfs/dbraw/zinc/68/73/81/401687381.db2.gz DQAFKLGCFBLEOM-JCGIZDLHSA-N 0 3 301.386 2.138 40 0 investigational DEABHN COc1cccc(C(=O)NCCN2CCCCCC2)c1OC ZINC000071884764 401692427 /nfs/dbraw/zinc/69/24/27/401692427.db2.gz TYTSTUOADAYMAE-UHFFFAOYSA-N 0 3 306.406 2.310 40 0 DEABHN CC(C)N(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CN ZINC000079404270 401873334 /nfs/dbraw/zinc/87/33/34/401873334.db2.gz YNOIEABWRWTEAQ-QGZVFWFLSA-N 0 3 303.450 2.237 40 0 DEABHN Cc1ccc(CN2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)o1 ZINC000096057104 402053296 /nfs/dbraw/zinc/05/32/96/402053296.db2.gz JQJVDXNPJZMNCS-LESCRADOSA-N 0 3 318.417 2.190 40 0 DEABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096063051 402055697 /nfs/dbraw/zinc/05/56/97/402055697.db2.gz ZBDXXRWSHBIBMM-MRXNPFEDSA-N 0 3 320.408 2.080 40 0 DEABHN CN(C1CC1)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096074185 402056936 /nfs/dbraw/zinc/05/69/36/402056936.db2.gz ONZONXGNXVNSSS-AWEZNQCLSA-N 0 3 307.463 2.361 40 0 DEABHN CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3ccccc3)C1)COC2 ZINC000096100221 402058308 /nfs/dbraw/zinc/05/83/08/402058308.db2.gz JCODWVZWEUWPTI-IBGZPJMESA-N 0 3 324.428 2.217 40 0 DEABHN Cc1ccsc1CN1C[C@@H]2C[C@H](CC(=O)N(C)C)O[C@@H]2C1 ZINC000096207799 402069770 /nfs/dbraw/zinc/06/97/70/402069770.db2.gz LTUBUTLEHIMGBK-BFHYXJOUSA-N 0 3 308.447 2.124 40 0 DEABHN CN(C)C(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2)C1 ZINC000096215523 402070318 /nfs/dbraw/zinc/07/03/18/402070318.db2.gz WRMWIKZDWHHYIZ-QGZVFWFLSA-N 0 3 302.422 2.051 40 0 DEABHN c1coc(CN2CC[C@@]3(C2)CCC[C@H](CN2CCOCC2)O3)c1 ZINC000096218962 402071542 /nfs/dbraw/zinc/07/15/42/402071542.db2.gz CYMDEWUYSBCGPB-QZTJIDSGSA-N 0 3 320.433 2.125 40 0 DEABHN CN1C[C@@H]2CN(C(=O)NCc3ccccc3)C[C@H](C1)C2(F)F ZINC000096261717 402076195 /nfs/dbraw/zinc/07/61/95/402076195.db2.gz HVKQIDCPGNDDFW-OKILXGFUSA-N 0 3 309.360 2.025 40 0 DEABHN c1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)nc1 ZINC000096158248 402063326 /nfs/dbraw/zinc/06/33/26/402063326.db2.gz BWBWHHHLUAEFKC-SFHVURJKSA-N 0 3 309.417 2.364 40 0 DEABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 ZINC000108533636 402256321 /nfs/dbraw/zinc/25/63/21/402256321.db2.gz FQFGJBVLOPJMAB-CQSZACIVSA-N 0 3 321.421 2.064 40 0 DEABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)C(C)C)[C@H]3C2)s1 ZINC000248077645 402582230 /nfs/dbraw/zinc/58/22/30/402582230.db2.gz HXLRQMZKLZLTFX-NUEKZKHPSA-N 0 3 322.474 2.276 40 0 DEABHN CN(C)C[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 ZINC000248137267 402583364 /nfs/dbraw/zinc/58/33/64/402583364.db2.gz RXZZXYPXGRKMPH-INIZCTEOSA-N 0 3 302.422 2.219 40 0 DEABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccccn3)CCO2)c1 ZINC000257223659 402705139 /nfs/dbraw/zinc/70/51/39/402705139.db2.gz DYIZOPLTPRRUIE-MRXNPFEDSA-N 0 3 312.373 2.040 40 0 DEABHN O=C(CN1CCC[C@@H]1CCc1ccncc1)N1CCCCC1 ZINC000257230272 402706300 /nfs/dbraw/zinc/70/63/00/402706300.db2.gz GBNJQGNUUQAAKE-QGZVFWFLSA-N 0 3 301.434 2.491 40 0 DEABHN CCc1nccn1CCC(=O)N1CCC[C@@H](c2[nH]ncc2C)C1 ZINC000257231963 402706450 /nfs/dbraw/zinc/70/64/50/402706450.db2.gz GIVMAGLODBWINU-CQSZACIVSA-N 0 3 315.421 2.273 40 0 DEABHN CN1C(=O)CCC[C@H]2CN(CCOc3ccccc3)CC[C@H]21 ZINC000257257481 402709733 /nfs/dbraw/zinc/70/97/33/402709733.db2.gz KPUQIQGGMUDERQ-DOTOQJQBSA-N 0 3 302.418 2.398 40 0 DEABHN CC1(C)CCCN[C@@H]1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000332231766 424916639 /nfs/dbraw/zinc/91/66/39/424916639.db2.gz DTWCHTJQRWOAOO-GFCCVEGCSA-N 0 3 306.797 2.933 40 0 DEABHN COc1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112784 274110521 /nfs/dbraw/zinc/11/05/21/274110521.db2.gz BUXARUCBHMQPMF-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN CC[C@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000019500569 281029692 /nfs/dbraw/zinc/02/96/92/281029692.db2.gz GMLUXTKWFLFVSC-OAHLLOKOSA-N 0 3 320.485 2.439 40 0 DEABHN NC[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)S1(=O)=O ZINC000222545230 518197459 /nfs/dbraw/zinc/19/74/59/518197459.db2.gz IMBWCCNIBIKTRS-MRXNPFEDSA-N 0 3 318.398 2.346 40 0 DEABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404511 185169576 /nfs/dbraw/zinc/16/95/76/185169576.db2.gz VHTNRLHRFKFGFR-RDJZCZTQSA-N 0 3 303.450 2.235 40 0 DEABHN CC(C)(C)c1cc(CC2(NC3CCC(CO)CC3)COC2)no1 ZINC000072321914 191121784 /nfs/dbraw/zinc/12/17/84/191121784.db2.gz UQBOTIUWMHIONT-UHFFFAOYSA-N 0 3 322.449 2.424 40 0 biogenic,in-vitro DEABHN COC[C@H]1CN(CCCc2ccccc2)CCN(C(C)=O)C1 ZINC000072354484 191128796 /nfs/dbraw/zinc/12/87/96/191128796.db2.gz PXBOEUCGURZMJC-SFHVURJKSA-N 0 3 304.434 2.046 40 0 DEABHN CN1CCCC[C@@]1(C)C(=O)N1CCC(Cc2cccnn2)CC1 ZINC000072367355 191136891 /nfs/dbraw/zinc/13/68/91/191136891.db2.gz HNYXRCLJROKXNC-SFHVURJKSA-N 0 3 316.449 2.132 40 0 DEABHN Cc1nc(C(=O)NC2CCCC2)cc(C2CCN(C)CC2)n1 ZINC000072382784 191143340 /nfs/dbraw/zinc/14/33/40/191143340.db2.gz PCOMSDZFZCOGSF-UHFFFAOYSA-N 0 3 302.422 2.267 40 0 DEABHN Cc1ccc(O[C@@H]2CCC[C@H](CNCc3cc[nH]n3)[C@H]2O)cc1 ZINC000585286567 357344297 /nfs/dbraw/zinc/34/42/97/357344297.db2.gz LUDWJTNOKNLWTP-ZTFGCOKTSA-N 0 3 315.417 2.416 40 0 DEABHN CO[C@H]1CCCN(C(=O)/C=C/CN(C)C)[C@H]1Cc1ccccc1 ZINC000585289675 357344570 /nfs/dbraw/zinc/34/45/70/357344570.db2.gz LVSQZNLGCZZAAA-UFBUJHCKSA-N 0 3 316.445 2.353 40 0 DEABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc3cc[nH]c3c2)[C@@H]1OC ZINC000585291650 357346129 /nfs/dbraw/zinc/34/61/29/357346129.db2.gz RBOKXSSALOWQGR-ZACQAIPSSA-N 0 3 304.390 2.029 40 0 DEABHN O=C(NCCNc1ccncc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000530262711 284389576 /nfs/dbraw/zinc/38/95/76/284389576.db2.gz XTUCPZGVHJMGRE-SJORKVTESA-N 0 3 313.376 2.365 40 0 DEABHN OC1CCN(Cc2c3cccnc3[nH]c2[C@H]2CCCO2)CC1 ZINC000019345183 182117941 /nfs/dbraw/zinc/11/79/41/182117941.db2.gz OOPGUGOVQPNFPJ-OAHLLOKOSA-N 0 3 301.390 2.371 40 0 DEABHN COc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)c(OC)c1 ZINC000009876237 401766245 /nfs/dbraw/zinc/76/62/45/401766245.db2.gz GFSUWWXKWYOCMW-LBPRGKRZSA-N 0 3 323.462 2.332 40 0 DEABHN CC1CCN(Cc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000020045458 401823161 /nfs/dbraw/zinc/82/31/61/401823161.db2.gz AZMKRSMSBHYIIR-UHFFFAOYSA-N 0 3 302.418 2.391 40 0 DEABHN Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4ccncc4)C[C@@H]32)o1 ZINC000096043519 402049566 /nfs/dbraw/zinc/04/95/66/402049566.db2.gz SYMSKCBSFWYRQO-BZUAXINKSA-N 0 3 314.389 2.168 40 0 DEABHN COCCN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 ZINC000096047529 402050255 /nfs/dbraw/zinc/05/02/55/402050255.db2.gz KPRGCBJLSDCQAQ-SFHVURJKSA-N 0 3 317.433 2.075 40 0 DEABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccsc3)C2)O1 ZINC000096052278 402051875 /nfs/dbraw/zinc/05/18/75/402051875.db2.gz NOVMIMVTLUHJPV-HZPDHXFCSA-N 0 3 310.463 2.060 40 0 DEABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052276 402051886 /nfs/dbraw/zinc/05/18/86/402051886.db2.gz YUIPJUFKZGTYBD-ZBFHGGJFSA-N 0 3 310.463 2.060 40 0 DEABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)o1 ZINC000096050830 402051936 /nfs/dbraw/zinc/05/19/36/402051936.db2.gz FEYTYFQLCODAQO-QGZVFWFLSA-N 0 3 312.373 2.007 40 0 DEABHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(Cc3ccoc3)C2)O1 ZINC000096206598 402069381 /nfs/dbraw/zinc/06/93/81/402069381.db2.gz DVPBMDOFOUBVSI-NVXWUHKLSA-N 0 3 321.421 2.064 40 0 DEABHN CC(C)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC000096251889 402074479 /nfs/dbraw/zinc/07/44/79/402074479.db2.gz FVRRYZJZLFNMDK-SJORKVTESA-N 0 3 322.474 2.072 40 0 DEABHN CC(C)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 ZINC000096251887 402074832 /nfs/dbraw/zinc/07/48/32/402074832.db2.gz FVRRYZJZLFNMDK-IAGOWNOFSA-N 0 3 322.474 2.072 40 0 DEABHN CCS(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3C)C2)C1 ZINC000096203104 402068799 /nfs/dbraw/zinc/06/87/99/402068799.db2.gz VSLGAWHSCNYZMO-KRWDZBQOSA-N 0 3 322.474 2.243 40 0 DEABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)s1 ZINC000096201505 402068818 /nfs/dbraw/zinc/06/88/18/402068818.db2.gz MJERWACMQSQKSF-CYBMUJFWSA-N 0 3 308.447 2.268 40 0 DEABHN Cn1c(Cl)nc2cc(C(=O)NCCN3CCCCC3)ccc21 ZINC000225988061 402325526 /nfs/dbraw/zinc/32/55/26/402325526.db2.gz IRDSGTFVIBPOKB-UHFFFAOYSA-N 0 3 320.824 2.442 40 0 DEABHN CN1CCC(NC(=O)COc2cccc3c2CCCC3)CC1 ZINC000225461969 402318433 /nfs/dbraw/zinc/31/84/33/402318433.db2.gz QYCPVEOJLCRBGF-UHFFFAOYSA-N 0 3 302.418 2.155 40 0 DEABHN Cc1nc(NCCN(C)C)cc(N2CCc3ccccc3C2)n1 ZINC000244149371 402447096 /nfs/dbraw/zinc/44/70/96/402447096.db2.gz UTZKAPDYLGTOKH-UHFFFAOYSA-N 0 3 311.433 2.321 40 0 DEABHN Cc1ccc(CC(=O)NCc2c[nH]c([C@H]3CCN(C)C3)n2)s1 ZINC000257237762 402706747 /nfs/dbraw/zinc/70/67/47/402706747.db2.gz HIBDPCIJNHIGPR-LBPRGKRZSA-N 0 3 318.446 2.058 40 0 DEABHN Cn1cc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc21 ZINC000257233757 402707109 /nfs/dbraw/zinc/70/71/09/402707109.db2.gz GQPCRRVCFQSYNG-ROUUACIJSA-N 0 3 300.402 2.294 40 0 DEABHN Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)CN)CC2)c1 ZINC000257251932 402708672 /nfs/dbraw/zinc/70/86/72/402708672.db2.gz JSWMNSAXKJWTTP-UHFFFAOYSA-N 0 3 314.389 2.018 40 0 DEABHN CC(C)n1nc(C2CC2)cc1CNCCCN1CCOCC1 ZINC000256052674 402700145 /nfs/dbraw/zinc/70/01/45/402700145.db2.gz OGRFHAVJEQESIJ-UHFFFAOYSA-N 0 3 306.454 2.153 40 0 DEABHN CCc1noc(CC)c1CNC(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000272842993 402960738 /nfs/dbraw/zinc/96/07/38/402960738.db2.gz SMYRKSOKEFGIGU-GFCCVEGCSA-N 0 3 320.437 2.249 40 0 DEABHN Cc1ccccc1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329050786 404214186 /nfs/dbraw/zinc/21/41/86/404214186.db2.gz UUXGAHPUUADMKK-UHFFFAOYSA-N 0 3 311.433 2.223 40 0 DEABHN CN(C)CCNc1nc(Nc2cccc(F)c2)cc(C2CC2)n1 ZINC000328987059 404192459 /nfs/dbraw/zinc/19/24/59/404192459.db2.gz IAHXQQXJTCLIHG-UHFFFAOYSA-N 0 3 315.396 2.054 40 0 DEABHN O=C1[C@@H]2CCN(C3CCC3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107149 280317764 /nfs/dbraw/zinc/31/77/64/280317764.db2.gz NVWZCSNQOJJEPQ-CABCVRRESA-N 0 3 306.431 2.354 40 0 DEABHN CC(C)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1 ZINC000306134202 529107428 /nfs/dbraw/zinc/10/74/28/529107428.db2.gz NFPSCWUMYQAPKO-CQSZACIVSA-N 0 3 300.410 2.016 40 0 DEABHN C[C@@H](CO)N1CCCN(Cc2cnc(-c3ccccc3)o2)CC1 ZINC001548453724 1072647692 /nfs/dbraw/zinc/64/76/92/1072647692.db2.gz VSIDWGOLGAPDLI-HNNXBMFYSA-N 0 3 315.417 2.230 40 0 DEABHN O[C@]1(COc2ccc(F)cc2)COCCN(C2CCCC2)C1 ZINC000585268890 357340051 /nfs/dbraw/zinc/34/00/51/357340051.db2.gz CSPKRLYBPOPHHH-KRWDZBQOSA-N 0 3 309.381 2.210 40 0 DEABHN CCC(CC)N1CCOC[C@@](O)(COc2ccc(F)cc2)C1 ZINC000585276981 357342222 /nfs/dbraw/zinc/34/22/22/357342222.db2.gz SYZYUQMGKDYRTP-QGZVFWFLSA-N 0 3 311.397 2.456 40 0 DEABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccco1)c1ccccc1 ZINC000006382293 181335670 /nfs/dbraw/zinc/33/56/70/181335670.db2.gz RRBIZLNORNLNKP-SFHVURJKSA-N 0 3 317.385 2.401 40 0 DEABHN c1cc(CN2CCN(C3CCCC3)CC2)nc([C@@H]2CCCO2)n1 ZINC000257316219 203040608 /nfs/dbraw/zinc/04/06/08/203040608.db2.gz VEQNXFAZPUSFEE-KRWDZBQOSA-N 0 3 316.449 2.388 40 0 DEABHN Cc1cn(C)c([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257322426 203047951 /nfs/dbraw/zinc/04/79/51/203047951.db2.gz WFXXKPGNVJNOLU-HNNXBMFYSA-N 0 3 313.401 2.489 40 0 DEABHN COCCNC(=O)c1ncccc1-c1cccc(CN(C)C)c1 ZINC000257340716 203062236 /nfs/dbraw/zinc/06/22/36/203062236.db2.gz ZHGPWFJWOTXRER-UHFFFAOYSA-N 0 3 313.401 2.186 40 0 DEABHN O=C(NCCNc1ccncc1)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000530262710 284389506 /nfs/dbraw/zinc/38/95/06/284389506.db2.gz XTUCPZGVHJMGRE-IRXDYDNUSA-N 0 3 313.376 2.365 40 0 DEABHN Cc1ccc(CN2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@@H]3C2)cc1 ZINC000097953813 193771286 /nfs/dbraw/zinc/77/12/86/193771286.db2.gz OPYWWESFLLSLCI-YESZJQIVSA-N 0 3 302.418 2.063 40 0 DEABHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000038832730 183011455 /nfs/dbraw/zinc/01/14/55/183011455.db2.gz GHHQPNYGOUICDQ-OAHLLOKOSA-N 0 3 322.836 2.411 40 0 DEABHN O=C(c1ccccc1)N1C[C@@H](N2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000107713021 296260236 /nfs/dbraw/zinc/26/02/36/296260236.db2.gz JQTBAIAHJVAYNP-KSZLIROESA-N 0 3 314.429 2.402 40 0 DEABHN CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCCC1 ZINC000022587070 401826794 /nfs/dbraw/zinc/82/67/94/401826794.db2.gz HPNHNBIPYBQKSL-FRQCXROJSA-N 0 3 321.509 2.393 40 0 DEABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)n1 ZINC000096108718 402059649 /nfs/dbraw/zinc/05/96/49/402059649.db2.gz AKTKVACJKAABID-SJLPKXTDSA-N 0 3 302.418 2.265 40 0 DEABHN COc1ncccc1CNC[C@H]1COCc2nc3ccccc3n21 ZINC000096112714 402060334 /nfs/dbraw/zinc/06/03/34/402060334.db2.gz VCQSSUUDPKTNSH-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN Cc1ccc(CN2CC[C@H]3C[C@@H](C(=O)N(C)C)O[C@H]3C2)cc1 ZINC000096040977 402048884 /nfs/dbraw/zinc/04/88/84/402048884.db2.gz OPYWWESFLLSLCI-ULQDDVLXSA-N 0 3 302.418 2.063 40 0 DEABHN CC(C)N1CCOC[C@]2(CN(Cc3ccsc3)CCO2)C1 ZINC000096049719 402051092 /nfs/dbraw/zinc/05/10/92/402051092.db2.gz UTWMHJOYZMDPGD-INIZCTEOSA-N 0 3 310.463 2.060 40 0 DEABHN c1nc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2ncccn2)c[nH]1 ZINC000096081946 402057739 /nfs/dbraw/zinc/05/77/39/402057739.db2.gz HJBKISZDCWXKQP-SQWLQELKSA-N 0 3 312.421 2.160 40 0 DEABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228749 402072542 /nfs/dbraw/zinc/07/25/42/402072542.db2.gz IUIWQSZPZSQJEW-KRWDZBQOSA-N 0 3 306.406 2.243 40 0 DEABHN Cc1noc(C)c1CN1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161478 402063905 /nfs/dbraw/zinc/06/39/05/402063905.db2.gz FUUPFFKGDUQVMQ-CALCHBBNSA-N 0 3 312.417 2.250 40 0 DEABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC000096161761 402064107 /nfs/dbraw/zinc/06/41/07/402064107.db2.gz KHDPNYPHFUXKOW-CALCHBBNSA-N 0 3 309.413 2.229 40 0 DEABHN O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096183590 402065189 /nfs/dbraw/zinc/06/51/89/402065189.db2.gz YYUPSRJAFSIZJV-SOUVJXGZSA-N 0 3 306.431 2.006 40 0 DEABHN CC(C)N(C)Cc1cncc2c1CCN(C1CCOCC1)C2 ZINC000096189470 402066781 /nfs/dbraw/zinc/06/67/81/402066781.db2.gz FRFANMLMYYVUFI-UHFFFAOYSA-N 0 3 303.450 2.459 40 0 DEABHN Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107728871 402239887 /nfs/dbraw/zinc/23/98/87/402239887.db2.gz HELMIZKCOVWXMQ-PBHICJAKSA-N 0 3 314.389 2.224 40 0 DEABHN c1csc(CN2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107786039 402240625 /nfs/dbraw/zinc/24/06/25/402240625.db2.gz HGXPZIRZDGMRHM-CZUORRHYSA-N 0 3 316.430 2.384 40 0 DEABHN O=C(NC1CC2(C1)CCN(Cc1ccncc1)C2)c1cccnc1 ZINC000108525057 402255916 /nfs/dbraw/zinc/25/59/16/402255916.db2.gz VWVTXGRNOVJITN-UHFFFAOYSA-N 0 3 322.412 2.261 40 0 DEABHN CC(C)CN1C[C@H]2C[C@@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000248227101 402585343 /nfs/dbraw/zinc/58/53/43/402585343.db2.gz JPLIIBIHRUFSDT-BRWVUGGUSA-N 0 3 302.418 2.048 40 0 DEABHN CCn1cc(-c2cncc([C@H]3CCCN(CCOC)C3)n2)cn1 ZINC000257246970 402708249 /nfs/dbraw/zinc/70/82/49/402708249.db2.gz IWTZJJLFTHQKKJ-AWEZNQCLSA-N 0 3 315.421 2.186 40 0 DEABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CC3CC3)CCO2)n1 ZINC000257257907 402709759 /nfs/dbraw/zinc/70/97/59/402709759.db2.gz KROZEFGQKFWUGN-MRXNPFEDSA-N 0 3 303.406 2.156 40 0 DEABHN CCOc1ccc(CN2CC[C@@H](c3cc[nH]n3)C2)cc1CO ZINC000257267218 402710906 /nfs/dbraw/zinc/71/09/06/402710906.db2.gz MGKSUGBNOQBNBM-CQSZACIVSA-N 0 3 301.390 2.290 40 0 DEABHN C[C@@H]1Cc2ccccc2CN1c1cc(NCCN(C)C)ncn1 ZINC000329023046 404206003 /nfs/dbraw/zinc/20/60/03/404206003.db2.gz ORFHOERUMUPGOZ-CQSZACIVSA-N 0 3 311.433 2.401 40 0 DEABHN CC1(C)CCCN[C@H]1C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000332231768 424917380 /nfs/dbraw/zinc/91/73/80/424917380.db2.gz DTWCHTJQRWOAOO-LBPRGKRZSA-N 0 3 306.797 2.933 40 0 DEABHN CC(C)[C@H](N)C(=O)N(Cc1cccc2c1OCCO2)C(C)C ZINC000079421482 280271885 /nfs/dbraw/zinc/27/18/85/280271885.db2.gz AGKXMHWJFHWSRZ-HNNXBMFYSA-N 0 3 306.406 2.178 40 0 DEABHN CN(C)CCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000199799165 563914545 /nfs/dbraw/zinc/91/45/45/563914545.db2.gz BUFXWRGLGPXFFI-UHFFFAOYSA-N 0 3 310.764 2.381 40 0 DEABHN CN(CCO)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000242750550 529920657 /nfs/dbraw/zinc/92/06/57/529920657.db2.gz ZSHOWMOZMRPPRU-CVEARBPZSA-N 0 3 306.406 2.148 40 0 DEABHN CNC(=O)c1ccc([C@H]2CCCN(C(C)C)C2)nc1N(C)C ZINC000072352895 191128702 /nfs/dbraw/zinc/12/87/02/191128702.db2.gz FALPXFKNNJQXJT-ZDUSSCGKSA-N 0 3 304.438 2.095 40 0 DEABHN Cc1nccn1-c1cncc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072378811 191140934 /nfs/dbraw/zinc/14/09/34/191140934.db2.gz CFJNXADQYXTHRL-MRXNPFEDSA-N 0 3 313.405 2.287 40 0 DEABHN COc1ccc(F)c(CN2CCC3(CCCNC3=O)CC2)c1 ZINC000072393749 191149898 /nfs/dbraw/zinc/14/98/98/191149898.db2.gz JROUBROBFMWWFB-UHFFFAOYSA-N 0 3 306.381 2.327 40 0 DEABHN COc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1OC ZINC000174675743 198368331 /nfs/dbraw/zinc/36/83/31/198368331.db2.gz NZXHZOACKSVRAO-GFCCVEGCSA-N 0 3 306.406 2.223 40 0 DEABHN c1cncc(O[C@@H]2CSC3(CN(C4CCOCC4)C3)C2)c1 ZINC000585104376 357334270 /nfs/dbraw/zinc/33/42/70/357334270.db2.gz HTBOOTQVRFHHPR-HNNXBMFYSA-N 0 3 306.431 2.199 40 0 DEABHN CN(Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)CC2CC2)C1 ZINC000257273813 203001228 /nfs/dbraw/zinc/00/12/28/203001228.db2.gz NIIHTHMHNXIFNG-GOSISDBHSA-N 0 3 320.408 2.021 40 0 DEABHN Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 ZINC000257317330 203040357 /nfs/dbraw/zinc/04/03/57/203040357.db2.gz VJIKCMKSAFWUTK-INIZCTEOSA-N 0 3 312.417 2.409 40 0 DEABHN O[C@H]1CCN(CCCOc2ccccc2F)C[C@@]12CCCO2 ZINC000257342977 203064148 /nfs/dbraw/zinc/06/41/48/203064148.db2.gz ZQVIMPDYGHXQIT-IRXDYDNUSA-N 0 3 309.381 2.210 40 0 DEABHN O=C(N[C@H]1CC[C@H](NC2COC2)CC1)OCc1ccccc1 ZINC000258840070 203070067 /nfs/dbraw/zinc/07/00/67/203070067.db2.gz YWLAFHWISPKBAV-SHTZXODSSA-N 0 3 304.390 2.212 40 0 DEABHN COCCN1CCC2(CCN(Cc3cccs3)CC2)C1=O ZINC000096046790 193499735 /nfs/dbraw/zinc/49/97/35/193499735.db2.gz ONFYDSVWJLYUAB-UHFFFAOYSA-N 0 3 308.447 2.209 40 0 DEABHN CCN1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000022863651 182337704 /nfs/dbraw/zinc/33/77/04/182337704.db2.gz YFJXJPMQFHEZTK-GVDBMIGSSA-N 0 3 312.498 2.216 40 0 DEABHN CCN1CCC(N2CCN(C(C)=O)C[C@H]2c2ccccc2)CC1 ZINC000257214471 285187536 /nfs/dbraw/zinc/18/75/36/285187536.db2.gz CMCULFBEJVKGRQ-IBGZPJMESA-N 0 3 315.461 2.376 40 0 DEABHN CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](O)(CN)c1ccccc1 ZINC000072207950 257128015 /nfs/dbraw/zinc/12/80/15/257128015.db2.gz ZFTLPBPZBWLJAC-PBHICJAKSA-N 0 3 308.422 2.382 40 0 DEABHN CN(C)CCNC(=S)Nc1ccc(Br)cc1F ZINC000007571244 401741784 /nfs/dbraw/zinc/74/17/84/401741784.db2.gz VJYXCTKFZZOLNS-UHFFFAOYSA-N 0 3 320.231 2.436 40 0 DEABHN COC(=O)c1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 ZINC000009876365 401766389 /nfs/dbraw/zinc/76/63/89/401766389.db2.gz HWKDHDWBUVOWEY-GFCCVEGCSA-N 0 3 321.446 2.101 40 0 DEABHN CCN1CCN(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000033526444 401891196 /nfs/dbraw/zinc/89/11/96/401891196.db2.gz YFJXJPMQFHEZTK-IKGGRYGDSA-N 0 3 312.498 2.216 40 0 DEABHN COc1cccc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)c1OC ZINC000046882612 401974971 /nfs/dbraw/zinc/97/49/71/401974971.db2.gz IVLABNYEXCOFJT-OKILXGFUSA-N 0 3 320.433 2.412 40 0 DEABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)co1 ZINC000096108763 402059730 /nfs/dbraw/zinc/05/97/30/402059730.db2.gz HCRYIIHPTJJLHT-QZTJIDSGSA-N 0 3 321.417 2.171 40 0 DEABHN O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 ZINC000096038801 402048350 /nfs/dbraw/zinc/04/83/50/402048350.db2.gz OLVWLNWTRWSKTD-NVXWUHKLSA-N 0 3 320.458 2.398 40 0 DEABHN CC(C)OC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096040500 402049145 /nfs/dbraw/zinc/04/91/45/402049145.db2.gz NCVIWKLYIGJRTJ-IRXDYDNUSA-N 0 3 307.438 2.216 40 0 DEABHN COCC(=O)N1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 ZINC000096051600 402051804 /nfs/dbraw/zinc/05/18/04/402051804.db2.gz YYAGONOAKUADSA-OAHLLOKOSA-N 0 3 306.406 2.129 40 0 DEABHN Cc1noc(C)c1CN1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 ZINC000096053585 402052016 /nfs/dbraw/zinc/05/20/16/402052016.db2.gz RRAJQHQFHATRPL-WMLDXEAASA-N 0 3 311.385 2.386 40 0 DEABHN O=C([C@H]1CCC2(CCN(Cc3ccoc3)CC2)O1)N1CCCC1 ZINC000096061224 402054613 /nfs/dbraw/zinc/05/46/13/402054613.db2.gz AFJJKOXCZRVOSS-MRXNPFEDSA-N 0 3 318.417 2.416 40 0 DEABHN O=C([C@@H]1CCC2(CCN(Cc3ccoc3)CC2)O1)N1CCCC1 ZINC000096061225 402055093 /nfs/dbraw/zinc/05/50/93/402055093.db2.gz AFJJKOXCZRVOSS-INIZCTEOSA-N 0 3 318.417 2.416 40 0 DEABHN O=C(C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCC1CC1 ZINC000096206735 402069804 /nfs/dbraw/zinc/06/98/04/402069804.db2.gz SWPVSFBZMDESDH-HRCADAONSA-N 0 3 320.458 2.254 40 0 DEABHN Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCC4)O[C@@H]3C2)s1 ZINC000096217056 402071580 /nfs/dbraw/zinc/07/15/80/402071580.db2.gz JMHVSDLKNWLKSU-OFQRWUPVSA-N 0 3 320.458 2.268 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccccc3F)C2)C1 ZINC000096228885 402072782 /nfs/dbraw/zinc/07/27/82/402072782.db2.gz WTKMIOVSUGDRDF-SFHVURJKSA-N 0 3 320.408 2.400 40 0 DEABHN CN(C)c1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 ZINC000096255387 402075502 /nfs/dbraw/zinc/07/55/02/402075502.db2.gz SMOFORRZDUBMQI-UHFFFAOYSA-N 0 3 300.381 2.283 40 0 DEABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1C ZINC000096261412 402076172 /nfs/dbraw/zinc/07/61/72/402076172.db2.gz HZWBJICZUHIVIB-QIIPPGSGSA-N 0 3 315.392 2.297 40 0 DEABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3cccs3)C[C@@H]2C1 ZINC000096161817 402064199 /nfs/dbraw/zinc/06/41/99/402064199.db2.gz GVABYUAYLAUWDV-OKILXGFUSA-N 0 3 315.442 2.291 40 0 DEABHN CN(Cc1ccco1)Cc1cnc2n1CCN(CC1CC1)CC2 ZINC000096197092 402067375 /nfs/dbraw/zinc/06/73/75/402067375.db2.gz UKLUHQRPBXSNRO-UHFFFAOYSA-N 0 3 314.433 2.376 40 0 DEABHN CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3C)C2)C1 ZINC000096203105 402068859 /nfs/dbraw/zinc/06/88/59/402068859.db2.gz VSLGAWHSCNYZMO-QGZVFWFLSA-N 0 3 322.474 2.243 40 0 DEABHN CCOC(=O)c1ccc(C)c(NC(=S)NCCN(C)C)c1 ZINC000225404079 402316682 /nfs/dbraw/zinc/31/66/82/402316682.db2.gz HVAQGZFHIKASQU-UHFFFAOYSA-N 0 3 309.435 2.020 40 0 DEABHN Cc1ccc(CN2CC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)s1 ZINC000257219234 402704584 /nfs/dbraw/zinc/70/45/84/402704584.db2.gz DGCOAELQTSPXQH-GFCCVEGCSA-N 0 3 318.446 2.471 40 0 DEABHN COc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000333853808 403886232 /nfs/dbraw/zinc/88/62/32/403886232.db2.gz QNANDSWZDMVTSN-WFASDCNBSA-N 0 3 304.390 2.005 40 0 DEABHN COc1ccccc1CN1CCOC[C@H](CC(=O)N(C)C)[C@H]1C ZINC000306141374 534080272 /nfs/dbraw/zinc/08/02/72/534080272.db2.gz VTIIJACDXXHLBN-ZBFHGGJFSA-N 0 3 320.433 2.010 40 0 DEABHN O=C(C1CCC1)N1CCNC[C@@H](COCc2ccccc2)C1 ZINC000072354480 191128881 /nfs/dbraw/zinc/12/88/81/191128881.db2.gz BFJLFLADFHTRKV-MRXNPFEDSA-N 0 3 302.418 2.051 40 0 DEABHN NC(=O)CCc1cccc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072360469 191131303 /nfs/dbraw/zinc/13/13/03/191131303.db2.gz GFCIMUOROQWMKH-UHFFFAOYSA-N 0 3 324.428 2.274 40 0 DEABHN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000072849868 191238589 /nfs/dbraw/zinc/23/85/89/191238589.db2.gz XQPCIEQZZPTQHS-CQSZACIVSA-N 0 3 317.433 2.353 40 0 DEABHN CN1CCC(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 ZINC000073034455 191272130 /nfs/dbraw/zinc/27/21/30/191272130.db2.gz DLEUVHFZZZHUSV-UHFFFAOYSA-N 0 3 317.433 2.495 40 0 DEABHN CCOCC[C@H]1CCOC12CCN(Cc1cnn(C)c1)CC2 ZINC000585103247 357333947 /nfs/dbraw/zinc/33/39/47/357333947.db2.gz AMCQFICUVRZKGI-INIZCTEOSA-N 0 3 307.438 2.218 40 0 DEABHN Cc1ccc(N(C)[C@@H]2COC3(C2)CCN(CCO)CC3)cc1 ZINC000257276520 203003424 /nfs/dbraw/zinc/00/34/24/203003424.db2.gz NUCGMPLUTGPLFM-KRWDZBQOSA-N 0 3 304.434 2.047 40 0 DEABHN Clc1cccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)c1 ZINC000257324056 203048005 /nfs/dbraw/zinc/04/80/05/203048005.db2.gz WMYIVDONHAOWGC-OAHLLOKOSA-N 0 3 307.781 2.346 40 0 DEABHN c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3C2CCOCC2)c1 ZINC000096041375 193495484 /nfs/dbraw/zinc/49/54/84/193495484.db2.gz DYCUDVPTZGCWAP-BZSNNMDCSA-N 0 3 318.417 2.009 40 0 DEABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019575951 182130934 /nfs/dbraw/zinc/13/09/34/182130934.db2.gz NEGDXXNUJDBBQV-IACUBPJLSA-N 0 3 314.351 2.345 40 0 DEABHN CCOC(CN[C@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC ZINC000015042306 285989639 /nfs/dbraw/zinc/98/96/39/285989639.db2.gz SCDKOZPBKDRGCK-ZDUSSCGKSA-N 0 3 316.442 2.375 40 0 DEABHN COc1cc2nc(Cl)nc(NCCN(C)C)c2cc1OC ZINC000011756112 401776305 /nfs/dbraw/zinc/77/63/05/401776305.db2.gz MQZXJHPKPOGTIJ-UHFFFAOYSA-N 0 3 310.785 2.274 40 0 DEABHN O=C1[C@@H]2CCN(C3CCC3)C[C@@H]2OCCN1c1ccccc1 ZINC000096107130 402059074 /nfs/dbraw/zinc/05/90/74/402059074.db2.gz BZBBEGOKARAPKW-SJORKVTESA-N 0 3 300.402 2.293 40 0 DEABHN O=C([C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038861 402047950 /nfs/dbraw/zinc/04/79/50/402047950.db2.gz SCABSYODHHFRMH-ARFHVFGLSA-N 0 3 320.458 2.207 40 0 DEABHN Cc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)cc1 ZINC000096043160 402049946 /nfs/dbraw/zinc/04/99/46/402049946.db2.gz OPYWWESFLLSLCI-BBWFWOEESA-N 0 3 302.418 2.063 40 0 DEABHN COCCN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096046792 402050318 /nfs/dbraw/zinc/05/03/18/402050318.db2.gz ONRDRTGIKSXNLW-UHFFFAOYSA-N 0 3 308.447 2.209 40 0 DEABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccsc3)C2)O1 ZINC000096052280 402051464 /nfs/dbraw/zinc/05/14/64/402051464.db2.gz NOVMIMVTLUHJPV-CVEARBPZSA-N 0 3 310.463 2.060 40 0 DEABHN c1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)nc1 ZINC000096158247 402063226 /nfs/dbraw/zinc/06/32/26/402063226.db2.gz BWBWHHHLUAEFKC-GOSISDBHSA-N 0 3 309.417 2.364 40 0 DEABHN CN(Cc1ccccn1)[C@H]1C=CC2(CC1)CCN(C(N)=O)CC2 ZINC000096159849 402063368 /nfs/dbraw/zinc/06/33/68/402063368.db2.gz URZXWORLRVZOLE-INIZCTEOSA-N 0 3 314.433 2.393 40 0 DEABHN COCC(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157593 402063399 /nfs/dbraw/zinc/06/33/99/402063399.db2.gz AVHZTKVITSEJIP-UHFFFAOYSA-N 0 3 320.408 2.287 40 0 DEABHN CN(C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)CC2 ZINC000096196784 402067618 /nfs/dbraw/zinc/06/76/18/402067618.db2.gz PPFONMNTACHXFD-UHFFFAOYSA-N 0 3 302.397 2.142 40 0 DEABHN COc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)cc1 ZINC000107746658 402240047 /nfs/dbraw/zinc/24/00/47/402240047.db2.gz GASPNUSGLRSTIH-MJGOQNOKSA-N 0 3 316.445 2.380 40 0 DEABHN Cc1cc([C@@H]2CN(C(=O)CN3CCCCCC3)CCO2)ccn1 ZINC000257218429 402704324 /nfs/dbraw/zinc/70/43/24/402704324.db2.gz DDCQOKASSTZNBU-KRWDZBQOSA-N 0 3 317.433 2.166 40 0 DEABHN COc1ccccc1[C@@H]1CN(CC2CCOCC2)CCN1C ZINC000257230056 402706453 /nfs/dbraw/zinc/70/64/53/402706453.db2.gz GAPDXXVGQRIODC-KRWDZBQOSA-N 0 3 304.434 2.410 40 0 DEABHN C[C@H]1CCCN(C(=O)c2cncc(C3CCN(C)CC3)n2)C1 ZINC000257239794 402707703 /nfs/dbraw/zinc/70/77/03/402707703.db2.gz HQUSIVDIYXRBFJ-ZDUSSCGKSA-N 0 3 302.422 2.158 40 0 DEABHN CN(Cc1cnc[nH]1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257266811 402710890 /nfs/dbraw/zinc/71/08/90/402710890.db2.gz MEPKRFIOYVSHRU-IKGGRYGDSA-N 0 3 301.390 2.203 40 0 DEABHN c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)c1 ZINC000253479037 402667255 /nfs/dbraw/zinc/66/72/55/402667255.db2.gz OIKWPODUUSYQHE-BZSNNMDCSA-N 0 3 304.434 2.394 40 0 DEABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccccc2)C1 ZINC000255976067 402699623 /nfs/dbraw/zinc/69/96/23/402699623.db2.gz HFBDLIGBWDZLIQ-HUUCEWRRSA-N 0 3 305.422 2.285 40 0 DEABHN CCc1nccn1CCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000257224731 281536999 /nfs/dbraw/zinc/53/69/99/281536999.db2.gz FDBQGAHRIXPNPJ-INIZCTEOSA-N 0 3 312.417 2.009 40 0 DEABHN O=C([O-])C[N@H+](CC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000079393468 185168776 /nfs/dbraw/zinc/16/87/76/185168776.db2.gz BWABOEZDJUTTKJ-UHFFFAOYSA-N 0 3 302.418 2.448 40 0 DEABHN O=C([O-])C[N@@H+](CC1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000079393468 185168777 /nfs/dbraw/zinc/16/87/77/185168777.db2.gz BWABOEZDJUTTKJ-UHFFFAOYSA-N 0 3 302.418 2.448 40 0 DEABHN Cn1cc(CN2CC[C@]3(c4ccccc4)CCN(C)[C@@H]3C2)cn1 ZINC000096058417 355698296 /nfs/dbraw/zinc/69/82/96/355698296.db2.gz KIKDBKSXYHFZDL-MOPGFXCFSA-N 0 3 310.445 2.268 40 0 DEABHN Cc1cccc(OC[C@]2(O)COCCN(C3CCCC3)C2)c1 ZINC000585269524 357341150 /nfs/dbraw/zinc/34/11/50/357341150.db2.gz XYOMZICLPPKGFE-GOSISDBHSA-N 0 3 305.418 2.380 40 0 DEABHN CC(=O)Nc1cccc([C@@H]2CN(C)C[C@]23CCCCC(=O)N3)c1 ZINC000257313843 203039560 /nfs/dbraw/zinc/03/95/60/203039560.db2.gz UUIFEVZMSAFUBL-FUHWJXTLSA-N 0 3 315.417 2.103 40 0 DEABHN CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN(C)C)C1 ZINC000019016941 182104050 /nfs/dbraw/zinc/10/40/50/182104050.db2.gz ZAFAKAATFQCINM-CYBMUJFWSA-N 0 3 300.406 2.350 40 0 DEABHN CN1CCN(Cc2c3ncccc3[nH]c2C2CCOCC2)CC1 ZINC000019590052 182132384 /nfs/dbraw/zinc/13/23/84/182132384.db2.gz DCDRNWGITNEKEE-UHFFFAOYSA-N 0 3 314.433 2.204 40 0 DEABHN CC(C)(CNC(=O)Cn1cnc2ccccc21)N1CCCCC1 ZINC000019657577 182134879 /nfs/dbraw/zinc/13/48/79/182134879.db2.gz ZQUOENDHEPPFNU-UHFFFAOYSA-N 0 3 314.433 2.417 40 0 DEABHN COc1ccc(CCNC(=O)[C@@H]2NCCCC2(C)C)cc1OC ZINC000261902630 145239675 /nfs/dbraw/zinc/23/96/75/145239675.db2.gz PCQHWZQPJJCOFC-INIZCTEOSA-N 0 3 320.433 2.141 40 0 DEABHN CCOC(CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC ZINC000015042303 401815423 /nfs/dbraw/zinc/81/54/23/401815423.db2.gz SCDKOZPBKDRGCK-CYBMUJFWSA-N 0 3 316.442 2.375 40 0 DEABHN Cc1ccc([C@@H](CNCc2cccnc2)N2CCOCC2)o1 ZINC000135946371 401956022 /nfs/dbraw/zinc/95/60/22/401956022.db2.gz DHRPBKRAEVSLOL-MRXNPFEDSA-N 0 3 301.390 2.146 40 0 DEABHN Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3CCc2ccccc2)cn1 ZINC000096038669 402048437 /nfs/dbraw/zinc/04/84/37/402048437.db2.gz KDCCLDJHYFZTFP-QZTJIDSGSA-N 0 3 324.428 2.233 40 0 DEABHN COCCN1C(=O)CC[C@]12CCCN(Cc1ccncc1)CC2 ZINC000096047531 402050526 /nfs/dbraw/zinc/05/05/26/402050526.db2.gz AQJDMNMFVFHVCU-SFHVURJKSA-N 0 3 317.433 2.075 40 0 DEABHN O=C1N(Cc2cccnc2)CC[C@]12CCN(Cc1ccoc1)C2 ZINC000096050501 402051786 /nfs/dbraw/zinc/05/17/86/402051786.db2.gz XRYFSSFVMGLQNH-SFHVURJKSA-N 0 3 311.385 2.299 40 0 DEABHN COC[C@@H]1CN(CC2CC2)Cc2cnn(CC3CCOCC3)c21 ZINC000096068356 402056183 /nfs/dbraw/zinc/05/61/83/402056183.db2.gz DIQAQOSMRVIJAI-KRWDZBQOSA-N 0 3 319.449 2.265 40 0 DEABHN c1cc(CN2CCC3(C[C@@H](Nc4ncccn4)CO3)CC2)co1 ZINC000096221551 402071737 /nfs/dbraw/zinc/07/17/37/402071737.db2.gz ARTQYLXAAIWYFO-OAHLLOKOSA-N 0 3 314.389 2.305 40 0 DEABHN CC(C)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226089 402072497 /nfs/dbraw/zinc/07/24/97/402072497.db2.gz BUMNEDWVCOLVCM-QGZVFWFLSA-N 0 3 319.380 2.071 40 0 DEABHN COc1ccc(CN2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)cc1 ZINC000107745914 402239662 /nfs/dbraw/zinc/23/96/62/402239662.db2.gz DNBJLMXKUJYVLX-BCDXTJNWSA-N 0 3 314.429 2.386 40 0 DEABHN Cn1cc(CN2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)cn1 ZINC000257232443 402706473 /nfs/dbraw/zinc/70/64/73/402706473.db2.gz GKWLQBUSJWSRQD-PKOBYXMFSA-N 0 3 324.428 2.058 40 0 DEABHN CN1C(=O)CO[C@H]2CCN(Cc3cc4ccccc4s3)C[C@@H]21 ZINC000257260116 402709925 /nfs/dbraw/zinc/70/99/25/402709925.db2.gz LBJFLMSYKHTPBP-GJZGRUSLSA-N 0 3 316.426 2.333 40 0 DEABHN CCn1cc(CN2C[C@@H]3CC[C@@H](Nc4cnccn4)[C@@H]3C2)cn1 ZINC000257291814 402711246 /nfs/dbraw/zinc/71/12/46/402711246.db2.gz QISPOCWGXBSLBF-ARFHVFGLSA-N 0 3 312.421 2.016 40 0 DEABHN CN1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 ZINC000253396103 402663476 /nfs/dbraw/zinc/66/34/76/402663476.db2.gz DBGLZBQRTMCMQR-OAHLLOKOSA-N 0 3 321.852 2.190 40 0 biogenic,in-vitro DEABHN COCCN1CCC[C@@H](c2cc(-c3cc[nH]n3)nc(C)n2)C1 ZINC000257201768 402702249 /nfs/dbraw/zinc/70/22/49/402702249.db2.gz AIZNZOLXTGWRQM-CYBMUJFWSA-N 0 3 301.394 2.001 40 0 DEABHN COc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000333853805 403885956 /nfs/dbraw/zinc/88/59/56/403885956.db2.gz QNANDSWZDMVTSN-IUODEOHRSA-N 0 3 304.390 2.005 40 0 DEABHN C[C@H](N)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F ZINC000002517160 274501839 /nfs/dbraw/zinc/50/18/39/274501839.db2.gz XOLSUKMEFPGXNO-LURJTMIESA-N 0 3 300.236 2.098 40 0 in-vitro DEABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079409747 279004583 /nfs/dbraw/zinc/00/45/83/279004583.db2.gz JPXOSCKLCVIHBC-AVGNSLFASA-N 0 3 313.442 2.018 40 0 DEABHN CN(CCO)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391660 185168462 /nfs/dbraw/zinc/16/84/62/185168462.db2.gz ZSHOWMOZMRPPRU-JKSUJKDBSA-N 0 3 306.406 2.148 40 0 DEABHN CC(C)(C)OC(=O)NCCCC[C@@H](N)NC(=O)c1ccccc1 ZINC000003593051 181038049 /nfs/dbraw/zinc/03/80/49/181038049.db2.gz DHAIQBUXEURGMK-AWEZNQCLSA-N 0 3 321.421 2.396 40 0 DEABHN CCN(CC)CCNc1c(C(C)=O)nnn1-c1ccccc1 ZINC000004943219 181176868 /nfs/dbraw/zinc/17/68/68/181176868.db2.gz SAPASDPVMYMHLN-UHFFFAOYSA-N 0 3 301.394 2.224 40 0 DEABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3CCF)CC2)cn1 ZINC000585100227 357332947 /nfs/dbraw/zinc/33/29/47/357332947.db2.gz ICFKJHSSNUREFK-QGZVFWFLSA-N 0 3 322.428 2.220 40 0 DEABHN Cc1cn(C)c([C@H]2CCN(Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257310081 203035266 /nfs/dbraw/zinc/03/52/66/203035266.db2.gz UDPWWSOPYBWJDA-HNNXBMFYSA-N 0 3 324.432 2.378 40 0 DEABHN CNc1cnc(C[C@@H]2CCCN(Cc3c[nH]cn3)CC2)cn1 ZINC000257294098 203018282 /nfs/dbraw/zinc/01/82/82/203018282.db2.gz QSKLTJBOMNZQGB-CYBMUJFWSA-N 0 3 300.410 2.086 40 0 DEABHN CNc1cnc(C[C@@H]2CCCN(Cc3cnc[nH]3)CC2)cn1 ZINC000257294098 203018285 /nfs/dbraw/zinc/01/82/85/203018285.db2.gz QSKLTJBOMNZQGB-CYBMUJFWSA-N 0 3 300.410 2.086 40 0 DEABHN Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3cncn3C)C[C@H]12 ZINC000257318910 203043334 /nfs/dbraw/zinc/04/33/34/203043334.db2.gz VPXWQZDPYKSIFG-UWWQBHOKSA-N 0 3 312.417 2.413 40 0 DEABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079409754 284193959 /nfs/dbraw/zinc/19/39/59/284193959.db2.gz JPXOSCKLCVIHBC-XQQFMLRXSA-N 0 3 313.442 2.018 40 0 DEABHN CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN(C)C)C1 ZINC000019016943 182103735 /nfs/dbraw/zinc/10/37/35/182103735.db2.gz ZAFAKAATFQCINM-ZDUSSCGKSA-N 0 3 300.406 2.350 40 0 DEABHN O=C(NCCNc1ccncc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000530262708 284389624 /nfs/dbraw/zinc/38/96/24/284389624.db2.gz XTUCPZGVHJMGRE-DLBZAZTESA-N 0 3 313.376 2.365 40 0 DEABHN CCC(C)(C)n1nnnc1CN1CCN(C2CCCCC2)CC1 ZINC000019499754 182126187 /nfs/dbraw/zinc/12/61/87/182126187.db2.gz KHMMBCPSRJPNLA-UHFFFAOYSA-N 0 3 320.485 2.269 40 0 DEABHN CCN(C(=O)c1cc(-c2ccccn2)n[nH]1)C1CCN(C)CC1 ZINC000019657048 182134428 /nfs/dbraw/zinc/13/44/28/182134428.db2.gz UQROHTZECHVCEJ-UHFFFAOYSA-N 0 3 313.405 2.028 40 0 DEABHN O=c1oc2ccccc2n1[C@@H]1CCCN(C[C@@H]2CCOC2)C1 ZINC000012336914 401783755 /nfs/dbraw/zinc/78/37/55/401783755.db2.gz DLCHUJATCCOBPN-UONOGXRCSA-N 0 3 302.374 2.268 40 0 DEABHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3CCN3CCCCC3)O2)n1 ZINC000096040888 402048794 /nfs/dbraw/zinc/04/87/94/402048794.db2.gz KZEVCDVREVFDHQ-OAGGEKHMSA-N 0 3 320.437 2.158 40 0 DEABHN COCCN1C(=O)CC[C@]12CCCN(Cc1ccco1)CC2 ZINC000096047511 402050111 /nfs/dbraw/zinc/05/01/11/402050111.db2.gz KZLBLBSCYWAAPS-KRWDZBQOSA-N 0 3 306.406 2.273 40 0 DEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096064981 402055294 /nfs/dbraw/zinc/05/52/94/402055294.db2.gz IHXWMLCYEYRLKV-QZTJIDSGSA-N 0 3 319.401 2.433 40 0 DEABHN CCCN1Cc2nccn2C[C@H](CN(C)Cc2ccco2)C1 ZINC000096067116 402055938 /nfs/dbraw/zinc/05/59/38/402055938.db2.gz RQKKRRAXLRNSJU-OAHLLOKOSA-N 0 3 302.422 2.450 40 0 DEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12)NCC1CC1 ZINC000096207043 402069831 /nfs/dbraw/zinc/06/98/31/402069831.db2.gz KILRMCFZXMKVGA-BRWVUGGUSA-N 0 3 318.417 2.033 40 0 DEABHN c1cnc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096216860 402070158 /nfs/dbraw/zinc/07/01/58/402070158.db2.gz JCUBFRWWRNAFPE-SFHVURJKSA-N 0 3 309.417 2.364 40 0 DEABHN Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2CC2CC2)CC1 ZINC000096217953 402071563 /nfs/dbraw/zinc/07/15/63/402071563.db2.gz DJQFITRUFHTBPW-GOSISDBHSA-N 0 3 316.449 2.177 40 0 DEABHN Cn1cc(CN2CC[C@@]3(CC(=O)N(c4ccccc4)C3)C2)cn1 ZINC000096238420 402073470 /nfs/dbraw/zinc/07/34/70/402073470.db2.gz JRGXSOCJBOYWJX-GOSISDBHSA-N 0 3 310.401 2.049 40 0 DEABHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccccc2)no1 ZINC000096261355 402075425 /nfs/dbraw/zinc/07/54/25/402075425.db2.gz LTMAPQWKDUJHLA-SJORKVTESA-N 0 3 313.401 2.370 40 0 DEABHN c1cnc(N2CCC3(C2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096157528 402063371 /nfs/dbraw/zinc/06/33/71/402063371.db2.gz GNXXTBBOKHJHOW-UHFFFAOYSA-N 0 3 309.417 2.364 40 0 DEABHN c1coc(CN2CC[C@@H]3[C@@H](CO[C@H]3CNc3ncccn3)C2)c1 ZINC000096185366 402065474 /nfs/dbraw/zinc/06/54/74/402065474.db2.gz UMMIVLUNFJCTEX-BMFZPTHFSA-N 0 3 314.389 2.019 40 0 DEABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)cc1 ZINC000096186484 402066179 /nfs/dbraw/zinc/06/61/79/402066179.db2.gz XJASBCVDUUXGRL-ROUUACIJSA-N 0 3 324.428 2.498 40 0 DEABHN Cc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCCN(C)C)o1 ZINC000107747107 402240075 /nfs/dbraw/zinc/24/00/75/402240075.db2.gz AUVLPZCVMAQXIR-CGTJXYLNSA-N 0 3 322.449 2.146 40 0 DEABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 ZINC000108533639 402256379 /nfs/dbraw/zinc/25/63/79/402256379.db2.gz FQFGJBVLOPJMAB-AWEZNQCLSA-N 0 3 321.421 2.064 40 0 DEABHN CCN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2N)CC1 ZINC000226262966 402326541 /nfs/dbraw/zinc/32/65/41/402326541.db2.gz JWGYKWCPVDGDIV-UHFFFAOYSA-N 0 3 304.438 2.395 40 0 DEABHN Cc1ncsc1-c1cc(C(=O)NCCN2CCCC2)ccn1 ZINC000257226907 402705837 /nfs/dbraw/zinc/70/58/37/402705837.db2.gz FMRYAKBBTFWBQV-UHFFFAOYSA-N 0 3 316.430 2.339 40 0 DEABHN CNc1cnc(C[C@@H]2CCCN(Cc3[nH]cnc3C)CC2)cn1 ZINC000257246422 402708425 /nfs/dbraw/zinc/70/84/25/402708425.db2.gz IUBHYRMUBJCROS-CQSZACIVSA-N 0 3 314.437 2.395 40 0 DEABHN COc1ccc(CCNCc2c(C)nn(C)c2F)cc1OC ZINC000256051859 402700101 /nfs/dbraw/zinc/70/01/01/402700101.db2.gz KTYBMNXNPAYOOR-UHFFFAOYSA-N 0 3 307.369 2.217 40 0 DEABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(F)cc2)C1 ZINC000038541233 277204428 /nfs/dbraw/zinc/20/44/28/277204428.db2.gz BYXVVXTXINETJW-GJZGRUSLSA-N 0 3 323.412 2.425 40 0 DEABHN COc1ccc(C)cc1CC(=O)N(C)CCN1CCCCC1 ZINC000012360944 331529392 /nfs/dbraw/zinc/52/93/92/331529392.db2.gz RGELMRLLNYRDBR-UHFFFAOYSA-N 0 3 304.434 2.490 40 0 DEABHN COc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000333853803 518145586 /nfs/dbraw/zinc/14/55/86/518145586.db2.gz QNANDSWZDMVTSN-DOMZBBRYSA-N 0 3 304.390 2.005 40 0 DEABHN c1csc(CN2Cc3cncn3[C@H](CN3CCCCC3)C2)n1 ZINC000306123208 534521680 /nfs/dbraw/zinc/52/16/80/534521680.db2.gz AHGBYSSFCYHZAQ-OAHLLOKOSA-N 0 3 317.462 2.382 40 0 DEABHN O=C1CCCN1[C@@H]1CN(Cc2ccsc2)C[C@@H]2CCCO[C@H]12 ZINC000096040606 563532248 /nfs/dbraw/zinc/53/22/48/563532248.db2.gz UIWCVUUQHKVJRC-UXLLHSPISA-N 0 3 320.458 2.350 40 0 DEABHN CC(C)N(C[C@@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079408122 185169705 /nfs/dbraw/zinc/16/97/05/185169705.db2.gz VNRCECBATMXGGZ-CQSZACIVSA-N 0 3 300.443 2.336 40 0 DEABHN Cc1cc(C)cc(CN2CC[C@@H]3[C@H]2CCN3CC(=O)N(C)C)c1 ZINC000306137028 231090384 /nfs/dbraw/zinc/09/03/84/231090384.db2.gz QJHNUBDWESFBLO-QZTJIDSGSA-N 0 3 315.461 2.040 40 0 DEABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000081238765 192239791 /nfs/dbraw/zinc/23/97/91/192239791.db2.gz LGVQGQYVQSZEBD-UONOGXRCSA-N 0 3 317.433 2.495 40 0 DEABHN Cc1ccccc1C(=O)N1CCC2(CC1)COCCN(C)C2 ZINC000585102447 357333184 /nfs/dbraw/zinc/33/31/84/357333184.db2.gz LZOYUAQIKZVFNU-UHFFFAOYSA-N 0 3 302.418 2.179 40 0 DEABHN CCN1CCN([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 ZINC000585289683 357344267 /nfs/dbraw/zinc/34/42/67/357344267.db2.gz LWGILOFRVRZQBV-QXAKKESOSA-N 0 3 318.461 2.293 40 0 DEABHN COc1ccc([C@H]2CN(C3CCN(C)CC3)CCN2C)cc1 ZINC000257287150 203013180 /nfs/dbraw/zinc/01/31/80/203013180.db2.gz POSXUUYXRCFIHE-GOSISDBHSA-N 0 3 303.450 2.078 40 0 DEABHN CCc1nccn1CC(=O)N1CCCC[C@H]1c1[nH]ncc1C ZINC000257343142 203065406 /nfs/dbraw/zinc/06/54/06/203065406.db2.gz ZRQPKROIPLDVPC-ZDUSSCGKSA-N 0 3 301.394 2.231 40 0 DEABHN c1ccc(-c2nnn3c2CO[C@@H](CNCc2cccnc2)C3)cc1 ZINC000096061090 193514024 /nfs/dbraw/zinc/51/40/24/193514024.db2.gz AKZHYEDXYWJVDE-INIZCTEOSA-N 0 3 321.384 2.029 40 0 DEABHN CCn1cc(CN(CCN(C)C)Cc2cccnc2)c(C)n1 ZINC000019524500 182128404 /nfs/dbraw/zinc/12/84/04/182128404.db2.gz MFXBQXBKQVWFCA-UHFFFAOYSA-N 0 3 301.438 2.170 40 0 DEABHN CC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCCCC3)C2=O)cc1 ZINC000019848436 182156511 /nfs/dbraw/zinc/15/65/11/182156511.db2.gz KFLGAHWKMKJTAD-MRXNPFEDSA-N 0 3 314.385 2.443 40 0 DEABHN CN1CCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1 ZINC000024365290 182379719 /nfs/dbraw/zinc/37/97/19/182379719.db2.gz DYZSVAZHPHBXGA-UHFFFAOYSA-N 0 3 310.829 2.099 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@H]([C@@](O)(CN)c2ccccc2)C1 ZINC000072208098 257128457 /nfs/dbraw/zinc/12/84/57/257128457.db2.gz QRWKUVKFTZFVNW-MAUKXSAKSA-N 0 3 320.433 2.480 40 0 DEABHN O=C(c1ncoc1-c1ccc(F)cc1)N1CCN2CCC[C@H]2C1 ZINC000012145537 401780685 /nfs/dbraw/zinc/78/06/85/401780685.db2.gz ACJLNOVQJDBYAL-AWEZNQCLSA-N 0 3 315.348 2.401 40 0 DEABHN CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCC1 ZINC000022587055 401827340 /nfs/dbraw/zinc/82/73/40/401827340.db2.gz GUFSPRZYMMTPOY-HDMKZQKVSA-N 0 3 307.482 2.003 40 0 DEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1F)CC[C@H]2OC ZINC000096110973 402060272 /nfs/dbraw/zinc/06/02/72/402060272.db2.gz AWLVAHMGIUNHDS-NUEKZKHPSA-N 0 3 306.381 2.007 40 0 DEABHN Cc1ccc(CN2C[C@H]3CCC[C@@]3(COCC(=O)N(C)C)C2)o1 ZINC000096111026 402060384 /nfs/dbraw/zinc/06/03/84/402060384.db2.gz FKENZQWYJWYALP-QAPCUYQASA-N 0 3 320.433 2.295 40 0 DEABHN Cc1ccc(CN2CCO[C@]3(C2)COCCN(C(C)C)C3)s1 ZINC000096049727 402051020 /nfs/dbraw/zinc/05/10/20/402051020.db2.gz XTYWIGMFEASCIO-KRWDZBQOSA-N 0 3 324.490 2.368 40 0 DEABHN CC(C)NC(=O)[C@H]1CN(Cc2ccco2)CC12CCOCC2 ZINC000096052088 402051760 /nfs/dbraw/zinc/05/17/60/402051760.db2.gz XDSCZTZCHGMHAP-OAHLLOKOSA-N 0 3 306.406 2.033 40 0 DEABHN Cc1ccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053825 402051908 /nfs/dbraw/zinc/05/19/08/402051908.db2.gz QGVNBAXIXLCOND-GASCZTMLSA-N 0 3 311.385 2.187 40 0 DEABHN c1cc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)co1 ZINC000096055030 402052676 /nfs/dbraw/zinc/05/26/76/402052676.db2.gz NJHFQNBCGMPLHH-ROUUACIJSA-N 0 3 313.401 2.150 40 0 DEABHN O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 ZINC000096056240 402052860 /nfs/dbraw/zinc/05/28/60/402052860.db2.gz PVGMJLHGOREWGD-HRCADAONSA-N 0 3 320.458 2.207 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000096058255 402054226 /nfs/dbraw/zinc/05/42/26/402054226.db2.gz FCGPMNQTSASACN-IXDOHACOSA-N 0 3 318.417 2.033 40 0 DEABHN c1cncc(CN2CCc3ncnc(N4CCCC4)c3CC2)c1 ZINC000096058721 402054250 /nfs/dbraw/zinc/05/42/50/402054250.db2.gz KJXHYPJXBDBSAM-UHFFFAOYSA-N 0 3 309.417 2.073 40 0 DEABHN O=C1COC2(CCN(Cc3ccsc3)CC2)CN1CC1CC1 ZINC000096062158 402055906 /nfs/dbraw/zinc/05/59/06/402055906.db2.gz NINBGYHRODAUCQ-UHFFFAOYSA-N 0 3 320.458 2.352 40 0 DEABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)o1 ZINC000096205769 402069133 /nfs/dbraw/zinc/06/91/33/402069133.db2.gz ARCBPUAOWQEBBT-SJORKVTESA-N 0 3 300.406 2.170 40 0 DEABHN O=C(c1cccs1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096226180 402072770 /nfs/dbraw/zinc/07/27/70/402072770.db2.gz MNTHNEXRIMPEJE-UHFFFAOYSA-N 0 3 320.458 2.465 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1cccnc1 ZINC000096239102 402073165 /nfs/dbraw/zinc/07/31/65/402073165.db2.gz OUWDZAZORWTELD-GOSISDBHSA-N 0 3 308.385 2.106 40 0 DEABHN Cn1nc(-c2cccnc2)c2c1CN(C[C@H]1CCOC1)CCC2 ZINC000096254440 402074749 /nfs/dbraw/zinc/07/47/49/402074749.db2.gz DJPCHVKRWMZEJC-CQSZACIVSA-N 0 3 312.417 2.267 40 0 DEABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC000096161775 402064398 /nfs/dbraw/zinc/06/43/98/402064398.db2.gz VNNVZZXXSHYVQJ-GASCZTMLSA-N 0 3 315.442 2.291 40 0 DEABHN COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)ncn1 ZINC000096184774 402065395 /nfs/dbraw/zinc/06/53/95/402065395.db2.gz XGMXTHASRNDHEP-KGLIPLIRSA-N 0 3 316.430 2.400 40 0 DEABHN c1cc(CN2CCc3ncc(CN4CCCC4)n3CC2)co1 ZINC000096196851 402067261 /nfs/dbraw/zinc/06/72/61/402067261.db2.gz NSOCFZJBVMNEDE-UHFFFAOYSA-N 0 3 300.406 2.130 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccsc1 ZINC000248024682 402580511 /nfs/dbraw/zinc/58/05/11/402580511.db2.gz RZOATZVKNZAFGE-ULQDDVLXSA-N 0 3 324.490 2.306 40 0 DEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 ZINC000257209983 402703998 /nfs/dbraw/zinc/70/39/98/402703998.db2.gz BSQUSXOMNCJDKT-HNNXBMFYSA-N 0 3 317.414 2.176 40 0 DEABHN O[C@H]1CN(CC2=Cc3ccccc3OC2)CC[C@@]12CCCO2 ZINC000257236845 402706641 /nfs/dbraw/zinc/70/66/41/402706641.db2.gz HEAGVTJHTMINER-ROUUACIJSA-N 0 3 301.386 2.078 40 0 DEABHN COCCN1CCC[C@@H](Cc2cnc(-c3cc(C)[nH]n3)cn2)C1 ZINC000257252223 402708848 /nfs/dbraw/zinc/70/88/48/402708848.db2.gz JTZKTURDAXAJGU-AWEZNQCLSA-N 0 3 315.421 2.076 40 0 DEABHN CCOc1ccc(CN2CC[C@H](c3cc[nH]n3)C2)cc1CO ZINC000257267217 402710408 /nfs/dbraw/zinc/71/04/08/402710408.db2.gz MGKSUGBNOQBNBM-AWEZNQCLSA-N 0 3 301.390 2.290 40 0 DEABHN CN1CCOC[C@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000096228730 277117439 /nfs/dbraw/zinc/11/74/39/277117439.db2.gz PAPPWRWDENJMCM-QGZVFWFLSA-N 0 3 306.381 2.010 40 0 DEABHN COc1c2c(cc3c1CN1CC[C@]34C=C[C@@H](OC)C[C@@H]14)OCO2 ZINC000004411133 277365546 /nfs/dbraw/zinc/36/55/46/277365546.db2.gz RNEXSBPDDRJJIY-PZDGAKPMSA-N 0 3 315.369 2.225 40 0 DEABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409313 185169414 /nfs/dbraw/zinc/16/94/14/185169414.db2.gz WLGVPGAFQHBHQX-QWHCGFSZSA-N 0 3 313.442 2.018 40 0 DEABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccncc1)CC2 ZINC000108532404 185520247 /nfs/dbraw/zinc/52/02/47/185520247.db2.gz RPIXRDCENGMAOG-UHFFFAOYSA-N 0 3 302.422 2.097 40 0 DEABHN Cc1cccnc1Nc1nccc([C@@H]2CCCN(CCO)C2)n1 ZINC000072377398 191139746 /nfs/dbraw/zinc/13/97/46/191139746.db2.gz MZDRZWGPBFOEBB-CQSZACIVSA-N 0 3 313.405 2.095 40 0 DEABHN COc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1OC ZINC000174675736 198368200 /nfs/dbraw/zinc/36/82/00/198368200.db2.gz NZXHZOACKSVRAO-LBPRGKRZSA-N 0 3 306.406 2.223 40 0 DEABHN Fc1cnc(N2CCO[C@H]3CN(CC4CCCCC4)C[C@H]32)nc1 ZINC000096248863 283035751 /nfs/dbraw/zinc/03/57/51/283035751.db2.gz VYNYFEXQXHBWHW-CVEARBPZSA-N 0 3 320.412 2.085 40 0 DEABHN CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=N ZINC000005373947 181236014 /nfs/dbraw/zinc/23/60/14/181236014.db2.gz BDLGXKHENKJTPC-UHFFFAOYSA-N 0 3 321.336 2.221 40 0 DEABHN CNC(=O)CC[C@]1(O)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585279405 357343083 /nfs/dbraw/zinc/34/30/83/357343083.db2.gz YUGPLCVQBLUZRB-GOSISDBHSA-N 0 3 315.417 2.021 40 0 DEABHN CN(c1ccncn1)C1CC2(C1)CCN(Cc1ccccn1)C2 ZINC000257321702 203046482 /nfs/dbraw/zinc/04/64/82/203046482.db2.gz WCUSFEGHTWDLMV-UHFFFAOYSA-N 0 3 309.417 2.363 40 0 DEABHN COc1cccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1 ZINC000019120665 182105483 /nfs/dbraw/zinc/10/54/83/182105483.db2.gz ZOFPEFCKHSWUNP-RHSMWYFYSA-N 0 3 302.374 2.339 40 0 DEABHN COc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019565450 182130586 /nfs/dbraw/zinc/13/05/86/182130586.db2.gz QYABVKGZZGSPEL-SFHVURJKSA-N 0 3 324.428 2.468 40 0 DEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 ZINC000119913598 195061290 /nfs/dbraw/zinc/06/12/90/195061290.db2.gz INNBRJZEBHYXFI-MRXNPFEDSA-N 0 3 317.433 2.349 40 0 DEABHN CNc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C)n1 ZINC000321821269 533053153 /nfs/dbraw/zinc/05/31/53/533053153.db2.gz NZSXNLSOOYGYER-UHFFFAOYSA-N 0 3 314.389 2.407 40 0 DEABHN CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](O)(CN)c1ccccc1 ZINC000072207947 257128429 /nfs/dbraw/zinc/12/84/29/257128429.db2.gz ZFTLPBPZBWLJAC-WMLDXEAASA-N 0 3 308.422 2.382 40 0 DEABHN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C3CCCC3)C[C@H]21 ZINC000514288625 257216064 /nfs/dbraw/zinc/21/60/64/257216064.db2.gz IDQHSIMMAKXNIR-ZBFHGGJFSA-N 0 3 304.365 2.286 40 0 biogenic,in-vitro DEABHN CCN(CC)CCOC(=O)c1ccc(OC)c(OC)c1OC ZINC000001707973 401709566 /nfs/dbraw/zinc/70/95/66/401709566.db2.gz NDDGSKDZVHADHG-UHFFFAOYSA-N 0 3 311.378 2.211 40 0 DEABHN COc1ccc(NC(=O)[C@@H](C)SC2=NCCN2)cc1Cl ZINC000001792185 401711086 /nfs/dbraw/zinc/71/10/86/401711086.db2.gz QZDDPXIJCWTOCB-MRVPVSSYSA-N 0 3 313.810 2.368 40 0 DEABHN CCOc1c(Br)cc(CNC[C@H](C)O)cc1OC ZINC000008253352 401750417 /nfs/dbraw/zinc/75/04/17/401750417.db2.gz SKYVKEWDQZSUBG-VIFPVBQESA-N 0 3 318.211 2.327 40 0 DEABHN CC(C)C[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[n-]c2=O)C1 ZINC000012184789 401781021 /nfs/dbraw/zinc/78/10/21/401781021.db2.gz LBIDGFVFAAZWIA-UHFFFAOYSA-N 0 3 304.438 2.020 40 0 DEABHN CC(C)C[N@H+]1CCc2c(nc(N3CCC(C)CC3)[n-]c2=O)C1 ZINC000012184789 401781023 /nfs/dbraw/zinc/78/10/23/401781023.db2.gz LBIDGFVFAAZWIA-UHFFFAOYSA-N 0 3 304.438 2.020 40 0 DEABHN CCOC(=O)CN1Cc2c(ccc(Cl)c2Cl)NC1=N ZINC000020167663 401823541 /nfs/dbraw/zinc/82/35/41/401823541.db2.gz PLLYNUUCBINGLY-UHFFFAOYSA-N 0 3 302.161 2.318 40 0 DEABHN C(CN1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21)N1CCCCC1 ZINC000096041610 402049011 /nfs/dbraw/zinc/04/90/11/402049011.db2.gz OJZXKKGWCJAELF-RCCFBDPRSA-N 0 3 308.466 2.131 40 0 DEABHN O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1)N1CCCC1 ZINC000096057601 402053565 /nfs/dbraw/zinc/05/35/65/402053565.db2.gz UHEZCHUHJDYQPS-NUEKZKHPSA-N 0 3 320.458 2.350 40 0 DEABHN CC(C)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226088 402072461 /nfs/dbraw/zinc/07/24/61/402072461.db2.gz BUMNEDWVCOLVCM-KRWDZBQOSA-N 0 3 319.380 2.071 40 0 DEABHN FC1(F)CCN(CC2CC2)C[C@]12CCN(c1ncccn1)C2 ZINC000096239700 402073674 /nfs/dbraw/zinc/07/36/74/402073674.db2.gz NDHDKBKKUJDLJW-HNNXBMFYSA-N 0 3 308.376 2.424 40 0 DEABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253447 402075043 /nfs/dbraw/zinc/07/50/43/402075043.db2.gz VDVKTBSRNTUVHG-FGTMMUONSA-N 0 3 316.445 2.438 40 0 DEABHN CCN(CC)Cc1cnc2n1CCN(Cc1ccoc1)CC2 ZINC000096196823 402067515 /nfs/dbraw/zinc/06/75/15/402067515.db2.gz XJUGAOUYUOZZIG-UHFFFAOYSA-N 0 3 302.422 2.376 40 0 DEABHN Cc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@H]32)o1 ZINC000107747110 402240032 /nfs/dbraw/zinc/24/00/32/402240032.db2.gz AUVLPZCVMAQXIR-KBAYOESNSA-N 0 3 322.449 2.146 40 0 DEABHN C[C@@H]1Cc2ccccc2CN1c1ccnc(NCCN(C)C)n1 ZINC000328983604 404190432 /nfs/dbraw/zinc/19/04/32/404190432.db2.gz HHGWRJLEONMODZ-CQSZACIVSA-N 0 3 311.433 2.401 40 0 DEABHN O=c1oc2ccccc2n1[C@@H]1CCCN(C[C@H]2CCOC2)C1 ZINC000247797999 341370339 /nfs/dbraw/zinc/37/03/39/341370339.db2.gz DLCHUJATCCOBPN-ZIAGYGMSSA-N 0 3 302.374 2.268 40 0 DEABHN C[C@@H]1CCCCN1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000000806699 1076948643 /nfs/dbraw/zinc/94/86/43/1076948643.db2.gz LUAGHFHLRIJNDM-MRXNPFEDSA-N 0 3 301.434 2.210 40 0 DEABHN C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Sc2nc[n-]n2)o1 ZINC000072324542 191123483 /nfs/dbraw/zinc/12/34/83/191123483.db2.gz UVXMCCQSGADFPI-RYUDHWBXSA-N 0 3 319.434 2.217 40 0 DEABHN C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(Sc2nc[n-]n2)o1 ZINC000072324542 191123484 /nfs/dbraw/zinc/12/34/84/191123484.db2.gz UVXMCCQSGADFPI-RYUDHWBXSA-N 0 3 319.434 2.217 40 0 DEABHN CNc1ncccc1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000019713394 354045156 /nfs/dbraw/zinc/04/51/56/354045156.db2.gz IYXVEBAYUDMMJF-CRAIPNDOSA-N 0 3 316.449 2.489 40 0 DEABHN CN1CCC(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000074920936 191388016 /nfs/dbraw/zinc/38/80/16/191388016.db2.gz OOKKPPMJMJQZOB-UHFFFAOYSA-N 0 3 315.461 2.063 40 0 DEABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccccc2)C1 ZINC000101038514 355708713 /nfs/dbraw/zinc/70/87/13/355708713.db2.gz HFBDLIGBWDZLIQ-LSDHHAIUSA-N 0 3 305.422 2.285 40 0 DEABHN Cc1ccc2[nH]c(=O)c(CNC[C@@H](O)COC(C)C)cc2c1 ZINC000585291813 357346084 /nfs/dbraw/zinc/34/60/84/357346084.db2.gz DMMOKMDVKFPMSX-OAHLLOKOSA-N 0 3 304.390 2.124 40 0 DEABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223252251 201639365 /nfs/dbraw/zinc/63/93/65/201639365.db2.gz ODNXWUXNBOGPDB-LSDHHAIUSA-N 0 3 316.430 2.209 40 0 DEABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccc(F)cc2)c1 ZINC000257317139 203041699 /nfs/dbraw/zinc/04/16/99/203041699.db2.gz VINRANUWJIFEHM-UHFFFAOYSA-N 0 3 324.359 2.400 40 0 DEABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096063052 193515775 /nfs/dbraw/zinc/51/57/75/193515775.db2.gz ZBDXXRWSHBIBMM-INIZCTEOSA-N 0 3 320.408 2.080 40 0 DEABHN Cc1nc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)cc(=O)[nH]1 ZINC000019285230 182111791 /nfs/dbraw/zinc/11/17/91/182111791.db2.gz ZXYNEDSDOQHITQ-GFCCVEGCSA-N 0 3 305.328 2.346 40 0 DEABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCCC1 ZINC000022587066 182327523 /nfs/dbraw/zinc/32/75/23/182327523.db2.gz HPNHNBIPYBQKSL-JTDSTZFVSA-N 0 3 321.509 2.393 40 0 DEABHN COCCN1CCC(Cc2cncc(-c3cc(C)[nH]n3)n2)CC1 ZINC000257227126 256618186 /nfs/dbraw/zinc/61/81/86/256618186.db2.gz FNUKTCNNZTYADR-UHFFFAOYSA-N 0 3 315.421 2.076 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](O)(CN)c2ccccc2)C1 ZINC000072208099 257128182 /nfs/dbraw/zinc/12/81/82/257128182.db2.gz QRWKUVKFTZFVNW-CRAIPNDOSA-N 0 3 320.433 2.480 40 0 DEABHN CC(C)(O)c1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1 ZINC000072321904 401709046 /nfs/dbraw/zinc/70/90/46/401709046.db2.gz ZXENAYMJJMOGNM-UHFFFAOYSA-N 0 3 320.433 2.336 40 0 biogenic,in-vitro DEABHN Cc1ccc(CN(CCCN2CCOCC2)C[C@H]2CCOC2)o1 ZINC000013992795 401805587 /nfs/dbraw/zinc/80/55/87/401805587.db2.gz YCFSOTOOUZQDQL-QGZVFWFLSA-N 0 3 322.449 2.149 40 0 DEABHN CSc1ncc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)cn1 ZINC000012203333 401781934 /nfs/dbraw/zinc/78/19/34/401781934.db2.gz JCCQKBNFUHGBEX-LBPRGKRZSA-N 0 3 322.478 2.439 40 0 DEABHN CC[C@@H](Oc1ccccc1OC)C(=O)NC1CCN(C)CC1 ZINC000113959409 401788555 /nfs/dbraw/zinc/78/85/55/401788555.db2.gz CCBWRAHESHLJJC-CQSZACIVSA-N 0 3 306.406 2.063 40 0 DEABHN C[C@H](O)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000012650933 401789354 /nfs/dbraw/zinc/78/93/54/401789354.db2.gz CTTIQIOTCUBWFN-HOCLYGCPSA-N 0 3 306.406 2.100 40 0 DEABHN CCc1ccc([C@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000020192259 401823912 /nfs/dbraw/zinc/82/39/12/401823912.db2.gz OTVOVJAQIFVVLA-HNNXBMFYSA-N 0 3 319.368 2.246 40 0 DEABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccc(F)cc2)C1 ZINC000038541230 401922957 /nfs/dbraw/zinc/92/29/57/401922957.db2.gz BYXVVXTXINETJW-CABCVRRESA-N 0 3 323.412 2.425 40 0 DEABHN CO[C@H]1CCN(C2CCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109489 402059911 /nfs/dbraw/zinc/05/99/11/402059911.db2.gz CQSHAZBSLGEMQT-KSZLIROESA-N 0 3 301.434 2.155 40 0 DEABHN COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccc(F)cc3)CC[C@H]12 ZINC000096041104 402049064 /nfs/dbraw/zinc/04/90/64/402049064.db2.gz BSUSRBNTMXXWAU-DJIMGWMZSA-N 0 3 320.408 2.046 40 0 DEABHN CCN1CCN(C)C2(CCN(Cc3ccc(C)s3)CC2)C1=O ZINC000096050042 402051858 /nfs/dbraw/zinc/05/18/58/402051858.db2.gz VLXMVRQNAQKWHQ-UHFFFAOYSA-N 0 3 321.490 2.185 40 0 DEABHN CN(C)C(=O)C[C@H]1OC[C@H]2CN(Cc3ccccc3F)CC[C@@H]12 ZINC000096206990 402069906 /nfs/dbraw/zinc/06/99/06/402069906.db2.gz DZRPRSPWUNNGHV-BFYDXBDKSA-N 0 3 320.408 2.141 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228876 402072775 /nfs/dbraw/zinc/07/27/75/402072775.db2.gz UJIQSACLCDOJQH-QGZVFWFLSA-N 0 3 322.474 2.252 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2C(=O)N(c3ccsc3)C[C@@H]2C1 ZINC000096245224 402074181 /nfs/dbraw/zinc/07/41/81/402074181.db2.gz IUKJFHVLMODRDO-WFASDCNBSA-N 0 3 317.414 2.448 40 0 DEABHN CN(C)CCNC(=O)c1cnc(-c2noc3ccccc32)s1 ZINC000096266570 402076244 /nfs/dbraw/zinc/07/62/44/402076244.db2.gz XYHCLXHEZHFGQH-UHFFFAOYSA-N 0 3 316.386 2.243 40 0 DEABHN COc1ccc(CN2C[C@@H]3[C@H](CC(=O)NC(C)C)[C@@H]3C2)cc1 ZINC000107745876 402239797 /nfs/dbraw/zinc/23/97/97/402239797.db2.gz RCKYZRRYZKRQHG-BJWYYQGGSA-N 0 3 302.418 2.288 40 0 DEABHN COc1ccccc1CN1Cc2cncn2[C@@H](CN(C)C)C1 ZINC000248079718 402582155 /nfs/dbraw/zinc/58/21/55/402582155.db2.gz CLPOVVYCRZUZIE-INIZCTEOSA-N 0 3 300.406 2.010 40 0 DEABHN Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)C(C)C)[C@H]3C2)s1 ZINC000248077640 402582334 /nfs/dbraw/zinc/58/23/34/402582334.db2.gz HXLRQMZKLZLTFX-FVQBIDKESA-N 0 3 322.474 2.276 40 0 DEABHN Cc1ccc(CN2CC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)s1 ZINC000257219235 402704577 /nfs/dbraw/zinc/70/45/77/402704577.db2.gz DGCOAELQTSPXQH-LBPRGKRZSA-N 0 3 318.446 2.471 40 0 DEABHN C[C@@H]1CCCN(C(=O)c2cncc(C3CCN(C)CC3)n2)C1 ZINC000257239793 402707388 /nfs/dbraw/zinc/70/73/88/402707388.db2.gz HQUSIVDIYXRBFJ-CYBMUJFWSA-N 0 3 302.422 2.158 40 0 DEABHN COCCN1CCC2(C[C@@H](CC(N)=O)c3ccc(F)cc32)CC1 ZINC000096100179 274026137 /nfs/dbraw/zinc/02/61/37/274026137.db2.gz ZOQFXLDHDCMENO-CYBMUJFWSA-N 0 3 320.408 2.168 40 0 DEABHN COCCN1CCC[C@](C)(c2ccc3c(C)nn(C)c3n2)C1 ZINC000257276178 274028051 /nfs/dbraw/zinc/02/80/51/274028051.db2.gz NSQLTQGKDRLSAQ-KRWDZBQOSA-N 0 3 302.422 2.277 40 0 DEABHN O=c1oc2ccccc2n1[C@H]1CCCN(C[C@H]2CCOC2)C1 ZINC000247797997 341370304 /nfs/dbraw/zinc/37/03/04/341370304.db2.gz DLCHUJATCCOBPN-KGLIPLIRSA-N 0 3 302.374 2.268 40 0 DEABHN CC(C)N(CC1CCN(CCO)CC1)C(=O)OC(C)(C)C ZINC000079408136 185169740 /nfs/dbraw/zinc/16/97/40/185169740.db2.gz SJBZCXLPYQMYTH-UHFFFAOYSA-N 0 3 300.443 2.336 40 0 DEABHN CCN(CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391680 185168297 /nfs/dbraw/zinc/16/82/97/185168297.db2.gz PAWFIZGJWGJFSR-INIZCTEOSA-N 0 3 306.406 2.102 40 0 DEABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccc(F)cc2)C1 ZINC000101039026 355708700 /nfs/dbraw/zinc/70/87/00/355708700.db2.gz BYXVVXTXINETJW-LSDHHAIUSA-N 0 3 323.412 2.425 40 0 DEABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3CCF)CC2)cn1 ZINC000585100225 357333284 /nfs/dbraw/zinc/33/32/84/357333284.db2.gz ICFKJHSSNUREFK-KRWDZBQOSA-N 0 3 322.428 2.220 40 0 DEABHN c1cncc(CO[C@@H]2CSC3(CN(C4CCOCC4)C3)C2)c1 ZINC000253596830 202904188 /nfs/dbraw/zinc/90/41/88/202904188.db2.gz WJHKMXNRWZLGRM-INIZCTEOSA-N 0 3 320.458 2.337 40 0 DEABHN O=c1cc(C[C@@H]2COCCN(Cc3ccc(F)cc3)C2)nc[nH]1 ZINC000257275936 203005080 /nfs/dbraw/zinc/00/50/80/203005080.db2.gz NRPPKOPAUINZLT-AWEZNQCLSA-N 0 3 317.364 2.012 40 0 DEABHN Cc1cn(C)c([C@@H]2CCN(Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257310082 203033682 /nfs/dbraw/zinc/03/36/82/203033682.db2.gz UDPWWSOPYBWJDA-OAHLLOKOSA-N 0 3 324.432 2.378 40 0 DEABHN CCN1CCN(C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000022863654 182337829 /nfs/dbraw/zinc/33/78/29/182337829.db2.gz YFJXJPMQFHEZTK-BBWFWOEESA-N 0 3 312.498 2.216 40 0 DEABHN COc1ccc(F)cc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000285102049 218291787 /nfs/dbraw/zinc/29/17/87/218291787.db2.gz KJODBHXJYPUPKG-KGLIPLIRSA-N 0 3 315.410 2.280 40 0 DEABHN Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccccc3)N2)c1 ZINC000014606989 401812912 /nfs/dbraw/zinc/81/29/12/401812912.db2.gz YTPARIXRROLYGZ-HNNXBMFYSA-N 0 3 322.368 2.290 40 0 DEABHN O=C(Cn1cccn1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC000036752333 401908060 /nfs/dbraw/zinc/90/80/60/401908060.db2.gz WDAMDHWUZOZIDS-QGZVFWFLSA-N 0 3 312.417 2.227 40 0 DEABHN COc1ccc(CN2C[C@H]3CN(CC(C)C)CCN3C2=O)cc1 ZINC000085436190 401916181 /nfs/dbraw/zinc/91/61/81/401916181.db2.gz QSVCPHXJGRHHOZ-MRXNPFEDSA-N 0 3 317.433 2.273 40 0 biogenic,in-vitro DEABHN Cn1cc(N2CC[C@@]3(CCCN(Cc4ccco4)C3)C2=O)cn1 ZINC000096048777 402050818 /nfs/dbraw/zinc/05/08/18/402050818.db2.gz UXBHKTUFCMRIBR-QGZVFWFLSA-N 0 3 314.389 2.032 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CN(Cc2ccco2)CC12CCOCC2 ZINC000096052122 402051732 /nfs/dbraw/zinc/05/17/32/402051732.db2.gz PDHQGBBTCBOBJU-INIZCTEOSA-N 0 3 318.417 2.034 40 0 DEABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1 ZINC000096052285 402051835 /nfs/dbraw/zinc/05/18/35/402051835.db2.gz RQVPTTITIYOFHS-ZWKOTPCHSA-N 0 3 322.424 2.137 40 0 DEABHN O=C(c1cccs1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053829 402052115 /nfs/dbraw/zinc/05/21/15/402052115.db2.gz CAUOMKYEGRQVSW-KBPBESRZSA-N 0 3 313.426 2.347 40 0 DEABHN Cn1cc2c(n1)[C@@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096059867 402054086 /nfs/dbraw/zinc/05/40/86/402054086.db2.gz TWLNINWPHVBTAW-QGZVFWFLSA-N 0 3 319.449 2.173 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096076503 402057095 /nfs/dbraw/zinc/05/70/95/402057095.db2.gz WCQAJCOMFYBRJB-LJQANCHMSA-N 0 3 316.445 2.190 40 0 DEABHN CCN1CC[C@@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@H]12 ZINC000096083409 402057528 /nfs/dbraw/zinc/05/75/28/402057528.db2.gz ILBFFHGIWYITEZ-WMZOPIPTSA-N 0 3 301.434 2.406 40 0 DEABHN CO[C@@H]1CCN(C2CCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096208920 402069731 /nfs/dbraw/zinc/06/97/31/402069731.db2.gz CQSHAZBSLGEMQT-RCCFBDPRSA-N 0 3 301.434 2.155 40 0 DEABHN CN1Cc2ccccc2CC2(CCN([C@H]3CCOC3)CC2)C1=O ZINC000096161318 402064237 /nfs/dbraw/zinc/06/42/37/402064237.db2.gz HBJGSGGBYWGABK-KRWDZBQOSA-N 0 3 314.429 2.072 40 0 DEABHN CCc1ccc(CN2CCc3ncc(CN(C)C)n3CC2)o1 ZINC000096196779 402067334 /nfs/dbraw/zinc/06/73/34/402067334.db2.gz OPKPRXGYPVHTBE-UHFFFAOYSA-N 0 3 302.422 2.158 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccsc1 ZINC000248024679 402580848 /nfs/dbraw/zinc/58/08/48/402580848.db2.gz RZOATZVKNZAFGE-BBWFWOEESA-N 0 3 324.490 2.306 40 0 DEABHN COC[C@@H]1CN(C(=O)c2ccsc2)CC12CCN(C)CC2 ZINC000248108547 402582889 /nfs/dbraw/zinc/58/28/89/402582889.db2.gz GNDVNTMVWTZCFG-AWEZNQCLSA-N 0 3 308.447 2.179 40 0 DEABHN CC(=O)N1CCN(CC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257283581 402711331 /nfs/dbraw/zinc/71/13/31/402711331.db2.gz OYXGYULKJJXMFK-GOSISDBHSA-N 0 3 302.418 2.318 40 0 DEABHN C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@H]2N ZINC000253591739 402669901 /nfs/dbraw/zinc/66/99/01/402669901.db2.gz TWXVMGOZCGGXHQ-NSHGMRRFSA-N 0 3 321.424 2.321 40 0 DEABHN COCc1cccc(CN[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000182456005 402691249 /nfs/dbraw/zinc/69/12/49/402691249.db2.gz OCJMKJNPOYHMDZ-HZPDHXFCSA-N 0 3 311.447 2.278 40 0 DEABHN COCc1cccc(CN[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000182455984 402691428 /nfs/dbraw/zinc/69/14/28/402691428.db2.gz OCJMKJNPOYHMDZ-HOTGVXAUSA-N 0 3 311.447 2.278 40 0 DEABHN COCCN1CCC[C@H](c2cc(-c3cc[nH]n3)nc(C)n2)C1 ZINC000257201769 402702364 /nfs/dbraw/zinc/70/23/64/402702364.db2.gz AIZNZOLXTGWRQM-ZDUSSCGKSA-N 0 3 301.394 2.001 40 0 DEABHN COc1cc([C@H]2CNCc3cc(OC)c(O)cc32)ccc1O ZINC000001719191 277388881 /nfs/dbraw/zinc/38/88/81/277388881.db2.gz OVSLAHWMVVLOHG-CYBMUJFWSA-N 0 3 301.342 2.350 40 0 DEABHN COc1ccc(CCNC(=O)[C@H]2NCCCC2(C)C)cc1OC ZINC000261902631 295121249 /nfs/dbraw/zinc/12/12/49/295121249.db2.gz PCQHWZQPJJCOFC-MRXNPFEDSA-N 0 3 320.433 2.141 40 0 DEABHN C[C@]12C[C@H](CC(C)(C)C1)N(Cc1oc(CO)cc(=O)c1O)C2 ZINC000079189950 185161247 /nfs/dbraw/zinc/16/12/47/185161247.db2.gz YCAFKKRJYVISFP-GTNSWQLSSA-N 0 3 307.390 2.238 40 0 DEABHN CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079411116 185169905 /nfs/dbraw/zinc/16/99/05/185169905.db2.gz QJASVSCSOPIEEM-INIZCTEOSA-N 0 3 306.406 2.100 40 0 DEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079390955 185168242 /nfs/dbraw/zinc/16/82/42/185168242.db2.gz MSNTYAIUUBUPOR-SJORKVTESA-N 0 3 303.450 2.093 40 0 DEABHN CCN(CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391678 185168390 /nfs/dbraw/zinc/16/83/90/185168390.db2.gz PAWFIZGJWGJFSR-MRXNPFEDSA-N 0 3 306.406 2.102 40 0 DEABHN Cc1nccn1Cc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000225299465 539729866 /nfs/dbraw/zinc/72/98/66/539729866.db2.gz GOCGGQYZLKPCKH-UHFFFAOYSA-N 0 3 312.417 2.064 40 0 DEABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3CCO)n2)n1 ZINC000072380435 191142465 /nfs/dbraw/zinc/14/24/65/191142465.db2.gz VKWOVWVXXGUCNP-OAHLLOKOSA-N 0 3 313.405 2.361 40 0 DEABHN CCn1nc(C)c(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1C ZINC000072395126 191148820 /nfs/dbraw/zinc/14/88/20/191148820.db2.gz ZRISQMFMYTXVCQ-RHSMWYFYSA-N 0 3 318.421 2.164 40 0 DEABHN Nc1cc2cccc3c2c(c1)C(=O)N(CCN1CCCC1)C3=O ZINC000005640620 181267277 /nfs/dbraw/zinc/26/72/77/181267277.db2.gz TXYIFVDECCPRPY-UHFFFAOYSA-N 0 3 309.369 2.114 40 0 DEABHN Cc1n[nH]cc1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F ZINC000585275008 357342671 /nfs/dbraw/zinc/34/26/71/357342671.db2.gz TVEYFSWOEDIESD-IRXDYDNUSA-N 0 3 303.381 2.425 40 0 DEABHN O[C@@H]1[C@@H](CNCc2cc[nH]n2)CCC[C@H]1Oc1ccccc1 ZINC000585286592 357345255 /nfs/dbraw/zinc/34/52/55/357345255.db2.gz MLIFLNSIZUWYPZ-KBRIMQKVSA-N 0 3 301.390 2.108 40 0 DEABHN OCCN(Cc1ccccc1)C[C@H](O)COc1ccccc1F ZINC000006529469 181351025 /nfs/dbraw/zinc/35/10/25/181351025.db2.gz ZEZLDTKVELRIGV-INIZCTEOSA-N 0 3 319.376 2.060 40 0 DEABHN COc1ccc([C@@H]2CN(C3CCN(C)CC3)CCN2C)cc1 ZINC000257287151 203013994 /nfs/dbraw/zinc/01/39/94/203013994.db2.gz POSXUUYXRCFIHE-SFHVURJKSA-N 0 3 303.450 2.078 40 0 DEABHN Cc1cc(N)cc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257293933 203019550 /nfs/dbraw/zinc/01/95/50/203019550.db2.gz QRTIJHOTCRSDMC-OAHLLOKOSA-N 0 3 317.414 2.176 40 0 DEABHN OCCOc1cccc(CN2CCNC[C@@H]2c2ccccc2)c1 ZINC000257312783 203036635 /nfs/dbraw/zinc/03/66/35/203036635.db2.gz UPLUOAGHYODHFC-LJQANCHMSA-N 0 3 312.413 2.204 40 0 DEABHN COCCN1CCC2(CCCN(C(=O)c3cccnc3)C2)CC1 ZINC000096063029 193514790 /nfs/dbraw/zinc/51/47/90/193514790.db2.gz JFCXYUOGJRMYNW-UHFFFAOYSA-N 0 3 317.433 2.046 40 0 DEABHN Cn1nc(C2CCN(Cc3cccnc3)CC2)c2nccnc21 ZINC000019289454 182112729 /nfs/dbraw/zinc/11/27/29/182112729.db2.gz MUNPCGWWTREQDH-UHFFFAOYSA-N 0 3 308.389 2.138 40 0 DEABHN Cc1nc(C2CCN(Cc3ccccc3)CC2)ncc1C(N)=O ZINC000019753579 182143148 /nfs/dbraw/zinc/14/31/48/182143148.db2.gz OOXNGTIYUYGBBO-UHFFFAOYSA-N 0 3 310.401 2.264 40 0 DEABHN Cc1ncoc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257218692 256618114 /nfs/dbraw/zinc/61/81/14/256618114.db2.gz DEDFETFIGWGTIQ-QDEZUTFSSA-N 0 3 303.406 2.460 40 0 DEABHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OC ZINC000008253611 401750581 /nfs/dbraw/zinc/75/05/81/401750581.db2.gz NKCORMAUJWSUBH-SECBINFHSA-N 0 3 318.211 2.327 40 0 DEABHN O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053753 402051568 /nfs/dbraw/zinc/05/15/68/402051568.db2.gz PJMNJSOEGZPWTM-HOTGVXAUSA-N 0 3 313.426 2.347 40 0 DEABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](Cc4nc(C)no4)[C@@H]3C2)o1 ZINC000096057250 402053407 /nfs/dbraw/zinc/05/34/07/402053407.db2.gz KPTBUBJLKUGPIX-FMKPAKJESA-N 0 3 317.389 2.217 40 0 DEABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccccc1Cl)CC2 ZINC000096206128 402069007 /nfs/dbraw/zinc/06/90/07/402069007.db2.gz OVVHYNIQHYGGCK-CQSZACIVSA-N 0 3 322.836 2.315 40 0 DEABHN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096206392 402069452 /nfs/dbraw/zinc/06/94/52/402069452.db2.gz DPPUVQVFUHBLHG-GDBMZVCRSA-N 0 3 323.462 2.143 40 0 DEABHN Cc1cccc(S(=O)(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000096215237 402070204 /nfs/dbraw/zinc/07/02/04/402070204.db2.gz GYCDTHMMEVJRKD-INIZCTEOSA-N 0 3 308.447 2.101 40 0 DEABHN c1csc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)c1 ZINC000096219338 402071586 /nfs/dbraw/zinc/07/15/86/402071586.db2.gz YZURFVWBQNALLG-BBRMVZONSA-N 0 3 316.430 2.384 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228881 402072678 /nfs/dbraw/zinc/07/26/78/402072678.db2.gz WOHAEXZFLLQRCD-INIZCTEOSA-N 0 3 308.447 2.323 40 0 DEABHN Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)o1 ZINC000096245563 402073966 /nfs/dbraw/zinc/07/39/66/402073966.db2.gz HMANMJYMTFODIK-HOTGVXAUSA-N 0 3 311.385 2.187 40 0 DEABHN c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)c1 ZINC000096250196 402074599 /nfs/dbraw/zinc/07/45/99/402074599.db2.gz OIKWPODUUSYQHE-OKZBNKHCSA-N 0 3 304.434 2.394 40 0 DEABHN CN(C)CCOCc1ncn2c1CN(Cc1cccs1)CC2 ZINC000096260171 402075513 /nfs/dbraw/zinc/07/55/13/402075513.db2.gz CXPYWJOWWOZRLD-UHFFFAOYSA-N 0 3 320.462 2.039 40 0 DEABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12)NC1CC1 ZINC000096206050 402068651 /nfs/dbraw/zinc/06/86/51/402068651.db2.gz VWPRVUCMBKGICY-FVQBIDKESA-N 0 3 320.458 2.254 40 0 DEABHN COCCN1CCO[C@H]2CCN(Cc3cccc(F)c3C)C[C@@H]21 ZINC000108526720 402255417 /nfs/dbraw/zinc/25/54/17/402255417.db2.gz HLFTXMIOZSFDQA-ROUUACIJSA-N 0 3 322.424 2.056 40 0 DEABHN Cc1c[nH]c([C@H]2CCCN(C(=O)CN3CCCCCC3)C2)n1 ZINC000257238112 402706713 /nfs/dbraw/zinc/70/67/13/402706713.db2.gz HJQBSXZYDKVZQS-HNNXBMFYSA-N 0 3 304.438 2.300 40 0 DEABHN Cc1c[nH]c([C@@H]2CCN(Cc3cnn4c3nc(C)cc4C)C2)n1 ZINC000257253824 402708682 /nfs/dbraw/zinc/70/86/82/402708682.db2.gz KAKANTGVCFMQIB-CQSZACIVSA-N 0 3 310.405 2.367 40 0 DEABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccccc2)C1 ZINC000038536663 277202886 /nfs/dbraw/zinc/20/28/86/277202886.db2.gz HFBDLIGBWDZLIQ-CABCVRRESA-N 0 3 305.422 2.285 40 0 DEABHN CC(C)N(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391133 279274684 /nfs/dbraw/zinc/27/46/84/279274684.db2.gz XCNCNHFCRIYMRE-OLZOCXBDSA-N 0 3 313.442 2.018 40 0 DEABHN CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242592208 279274879 /nfs/dbraw/zinc/27/48/79/279274879.db2.gz OMKVBVRLIJKGES-JOCQHMNTSA-N 0 3 313.442 2.018 40 0 DEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079390957 185167942 /nfs/dbraw/zinc/16/79/42/185167942.db2.gz MSNTYAIUUBUPOR-IRXDYDNUSA-N 0 3 303.450 2.093 40 0 DEABHN c1cn(-c2cncc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cn1 ZINC000072355432 191128499 /nfs/dbraw/zinc/12/84/99/191128499.db2.gz ZRMXNPZJYLUMRQ-MRXNPFEDSA-N 0 3 320.400 2.437 40 0 DEABHN CC(C)N1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358301 191130495 /nfs/dbraw/zinc/13/04/95/191130495.db2.gz TZMAWPYSTPWTOF-OAHLLOKOSA-N 0 3 317.433 2.142 40 0 DEABHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCCC1 ZINC000005730636 181277856 /nfs/dbraw/zinc/27/78/56/181277856.db2.gz RVSRDNZLKOKNCE-WMZOPIPTSA-N 0 3 313.445 2.225 40 0 DEABHN CC(C)CN1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104683 357334341 /nfs/dbraw/zinc/33/43/41/357334341.db2.gz QXFFOKDAXCMJAO-LJQANCHMSA-N 0 3 316.445 2.394 40 0 DEABHN Cc1cn(C)c([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257322427 203046860 /nfs/dbraw/zinc/04/68/60/203046860.db2.gz WFXXKPGNVJNOLU-OAHLLOKOSA-N 0 3 313.401 2.489 40 0 DEABHN O=C(C1CCCC1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292292 182113370 /nfs/dbraw/zinc/11/33/70/182113370.db2.gz TYAZJLJCGWAFIH-AWEZNQCLSA-N 0 3 314.433 2.019 40 0 DEABHN CC(C)CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019446423 182123507 /nfs/dbraw/zinc/12/35/07/182123507.db2.gz HOXWJZLEVNDNBZ-OAHLLOKOSA-N 0 3 302.422 2.174 40 0 DEABHN CC(C)[C@@H](CN1CC[C@H](O)C1)NC(=O)OCc1ccccc1 ZINC000044138441 183396758 /nfs/dbraw/zinc/39/67/58/183396758.db2.gz QOZXKKJNTPWTSH-JKSUJKDBSA-N 0 3 306.406 2.004 40 0 DEABHN CN1CCN(CCc2ccc3c(Cl)ccc(O)c3n2)CC1 ZINC000059474705 184138921 /nfs/dbraw/zinc/13/89/21/184138921.db2.gz JMDUENHUBUTXQN-UHFFFAOYSA-N 0 3 305.809 2.384 40 0 DEABHN Cc1occc1C(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096110644 257134544 /nfs/dbraw/zinc/13/45/44/257134544.db2.gz AFZOOEWTNSMXHW-GJZGRUSLSA-N 0 3 311.385 2.187 40 0 DEABHN COc1ccc(OCCN(C)C(=O)[C@H]2NCCCC2(C)C)cc1 ZINC000261931192 145243311 /nfs/dbraw/zinc/24/33/11/145243311.db2.gz SUUSEGZUBHHVQJ-MRXNPFEDSA-N 0 3 320.433 2.311 40 0 DEABHN COc1ccc(C(=O)c2ccc(N3CCNCC3)cc2)cc1F ZINC000004245559 401726142 /nfs/dbraw/zinc/72/61/42/401726142.db2.gz MVFQTSOREFFANP-UHFFFAOYSA-N 0 3 314.360 2.475 40 0 DEABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 ZINC000096112678 402060223 /nfs/dbraw/zinc/06/02/23/402060223.db2.gz FZCVURZPXAHBGW-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN c1csc(CN2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)c1 ZINC000096040614 402048866 /nfs/dbraw/zinc/04/88/66/402048866.db2.gz HEAYLEBDHUKPHZ-UAGQMJEPSA-N 0 3 322.474 2.060 40 0 DEABHN Cc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@@H]3C2)cc1 ZINC000096042696 402049758 /nfs/dbraw/zinc/04/97/58/402049758.db2.gz OPYWWESFLLSLCI-GVDBMIGSSA-N 0 3 302.418 2.063 40 0 DEABHN Cn1cc(N2CC[C@]3(CCN(Cc4ccsc4)C3)C2=O)cn1 ZINC000096050513 402051543 /nfs/dbraw/zinc/05/15/43/402051543.db2.gz FBEUYKHDSYCAIV-INIZCTEOSA-N 0 3 316.430 2.111 40 0 DEABHN c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3C2CCOCC2)nc1 ZINC000096065838 402055614 /nfs/dbraw/zinc/05/56/14/402055614.db2.gz PLJLRCXBEIUMFG-RCCFBDPRSA-N 0 3 318.417 2.009 40 0 DEABHN CN(C1CC1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096074184 402057050 /nfs/dbraw/zinc/05/70/50/402057050.db2.gz ONZONXGNXVNSSS-CQSZACIVSA-N 0 3 307.463 2.361 40 0 DEABHN CCOCC(=O)N1CCC2(CCCN2Cc2cccnc2)CC1 ZINC000096075371 402057183 /nfs/dbraw/zinc/05/71/83/402057183.db2.gz AMCBFQAYXVWQAL-UHFFFAOYSA-N 0 3 317.433 2.075 40 0 DEABHN Cc1cccc(CN2C[C@@H]3CN(c4cnccn4)CC[C@@H]3C2)n1 ZINC000096081510 402057774 /nfs/dbraw/zinc/05/77/74/402057774.db2.gz JVDSWLVXZCEQAM-HZPDHXFCSA-N 0 3 309.417 2.138 40 0 DEABHN c1cnc(N2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096216857 402070196 /nfs/dbraw/zinc/07/01/96/402070196.db2.gz JCUBFRWWRNAFPE-GOSISDBHSA-N 0 3 309.417 2.364 40 0 DEABHN O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1cccnc1 ZINC000096239107 402073281 /nfs/dbraw/zinc/07/32/81/402073281.db2.gz PDRCLAAZDHWYTL-SFHVURJKSA-N 0 3 308.385 2.106 40 0 DEABHN CC(C)CN1CCNC(=O)C12CCN(Cc1ccccc1)CC2 ZINC000096230172 402073489 /nfs/dbraw/zinc/07/34/89/402073489.db2.gz QDLZODGTKHEAIA-UHFFFAOYSA-N 0 3 315.461 2.109 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1ccccn1 ZINC000096239142 402073513 /nfs/dbraw/zinc/07/35/13/402073513.db2.gz LJTYDGNXKJYDNZ-GOSISDBHSA-N 0 3 308.385 2.106 40 0 DEABHN CCc1ncnc2c1CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096255019 402074992 /nfs/dbraw/zinc/07/49/92/402074992.db2.gz CRCRZOJKHYLZMY-UHFFFAOYSA-N 0 3 311.385 2.369 40 0 DEABHN c1c[nH]c(CN2CC[C@@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000107255197 402228804 /nfs/dbraw/zinc/22/88/04/402228804.db2.gz AODWECBXTYRADR-ROUUACIJSA-N 0 3 312.417 2.280 40 0 DEABHN Cc1ccc(CN2CCC[C@]3(CO[C@H](C(=O)N(C)C)C3)C2)o1 ZINC000107732058 402239674 /nfs/dbraw/zinc/23/96/74/402239674.db2.gz NMHRLHSWSBKWEE-DOTOQJQBSA-N 0 3 306.406 2.047 40 0 DEABHN CN1CCCC[C@@]1(C)C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257240419 402707736 /nfs/dbraw/zinc/70/77/36/402707736.db2.gz HTJWMAKCVXPISU-KRWDZBQOSA-N 0 3 304.438 2.164 40 0 DEABHN Cc1cc(CC2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000257250047 402708215 /nfs/dbraw/zinc/70/82/15/402708215.db2.gz JKTPQLAQCQWRKB-UHFFFAOYSA-N 0 3 301.434 2.267 40 0 DEABHN c1ccc(O[C@@H]2CSC3(CN(CC4CCOCC4)C3)C2)nc1 ZINC000253480458 402667359 /nfs/dbraw/zinc/66/73/59/402667359.db2.gz WWWMHNZBRYASHE-HNNXBMFYSA-N 0 3 320.458 2.447 40 0 DEABHN COCc1cccc(CN[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 ZINC000182455964 402691435 /nfs/dbraw/zinc/69/14/35/402691435.db2.gz OCJMKJNPOYHMDZ-CVEARBPZSA-N 0 3 311.447 2.278 40 0 DEABHN Cc1ccc(OCc2nnc3n2CCN(C(C)C)[C@@H](C)C3)cn1 ZINC000585098027 405868321 /nfs/dbraw/zinc/86/83/21/405868321.db2.gz QRMAIKAWCGDYFI-AWEZNQCLSA-N 0 3 315.421 2.216 40 0 DEABHN COc1ccccc1CNC[C@H]1COCc2nc3cccnc3n21 ZINC000096112791 274157930 /nfs/dbraw/zinc/15/79/30/274157930.db2.gz WQQCXCTZNPSSTG-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN COc1ccc([C@H]2[C@@H](N)[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000074941318 277430653 /nfs/dbraw/zinc/43/06/53/277430653.db2.gz QAKWCDKFQTULHZ-ULQDDVLXSA-N 0 3 321.384 2.370 40 0 DEABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 ZINC000008300459 560108013 /nfs/dbraw/zinc/10/80/13/560108013.db2.gz BDNLNXWPQPJIRK-SOUVJXGZSA-N 0 3 308.447 2.085 40 0 biogenic,in-vitro DEABHN CN(CCO)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079391663 185168575 /nfs/dbraw/zinc/16/85/75/185168575.db2.gz ZSHOWMOZMRPPRU-HOTGVXAUSA-N 0 3 306.406 2.148 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000072347453 191127346 /nfs/dbraw/zinc/12/73/46/191127346.db2.gz CXVOPWZCZMVXFM-UHFFFAOYSA-N 0 3 306.369 2.185 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000072347453 191127344 /nfs/dbraw/zinc/12/73/44/191127344.db2.gz CXVOPWZCZMVXFM-UHFFFAOYSA-N 0 3 306.369 2.185 40 0 DEABHN COC[C@@H]1CN(CCCc2ccccc2)CCN(C(C)=O)C1 ZINC000072354485 191129470 /nfs/dbraw/zinc/12/94/70/191129470.db2.gz PXBOEUCGURZMJC-GOSISDBHSA-N 0 3 304.434 2.046 40 0 DEABHN Cc1nc([C@@H]2CCCN(CCc3ccccc3)C2)ncc1C(N)=O ZINC000072351990 191128746 /nfs/dbraw/zinc/12/87/46/191128746.db2.gz VWRZMUGFDUKOOL-MRXNPFEDSA-N 0 3 324.428 2.306 40 0 DEABHN Cc1cncnc1C1CCN(C(=O)[C@]2(C)CCCCN2C)CC1 ZINC000072367290 191137359 /nfs/dbraw/zinc/13/73/59/191137359.db2.gz KYEBPTTZEFQHFH-SFHVURJKSA-N 0 3 316.449 2.365 40 0 DEABHN CNCC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072383002 191143176 /nfs/dbraw/zinc/14/31/76/191143176.db2.gz UQYBTSWOEJUNID-LBPRGKRZSA-N 0 3 317.418 2.165 40 0 DEABHN COCCN1CCC[C@H](c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257305907 203030762 /nfs/dbraw/zinc/03/07/62/203030762.db2.gz SSAUGYCWUYFIOF-AWEZNQCLSA-N 0 3 315.421 2.309 40 0 DEABHN CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)c1 ZINC000257334380 203055862 /nfs/dbraw/zinc/05/58/62/203055862.db2.gz YFQTXEOVGOCNJC-CYBMUJFWSA-N 0 3 313.405 2.103 40 0 DEABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391271 284227311 /nfs/dbraw/zinc/22/73/11/284227311.db2.gz DOVPZTAIJAVTKW-AVGNSLFASA-N 0 3 313.442 2.018 40 0 DEABHN CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178032 284227729 /nfs/dbraw/zinc/22/77/29/284227729.db2.gz YZKQBYNYTQCHEH-RWMBFGLXSA-N 0 3 313.442 2.018 40 0 DEABHN Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cn1 ZINC000019239198 182111196 /nfs/dbraw/zinc/11/11/96/182111196.db2.gz XLBNGUHBYZDEDS-AWEZNQCLSA-N 0 3 322.372 2.220 40 0 DEABHN COc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000019285206 182111939 /nfs/dbraw/zinc/11/19/39/182111939.db2.gz PLESPRQIFGMIIP-GFCCVEGCSA-N 0 3 317.364 2.216 40 0 DEABHN Cn1nc(C2CCN(Cc3ccccn3)CC2)c2nccnc21 ZINC000019289453 182112396 /nfs/dbraw/zinc/11/23/96/182112396.db2.gz DRNLEDPSEBJUCG-UHFFFAOYSA-N 0 3 308.389 2.138 40 0 DEABHN c1ccc(-c2cc(CNC[C@H]3CCCO3)c3nnnn3c2)cc1 ZINC000019374020 182120629 /nfs/dbraw/zinc/12/06/29/182120629.db2.gz LMNKUFJXBLFTIZ-MRXNPFEDSA-N 0 3 309.373 2.060 40 0 DEABHN CC(C)CN1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 ZINC000514288858 257216272 /nfs/dbraw/zinc/21/62/72/257216272.db2.gz GCEPPMGQVFMMPI-SFHVURJKSA-N 0 3 316.493 2.318 40 0 biogenic,in-vitro DEABHN COCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220932 401850383 /nfs/dbraw/zinc/85/03/83/401850383.db2.gz IMWMMCZYOMRDOJ-AWEZNQCLSA-N 0 3 310.825 2.315 40 0 DEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)cc1)CC[C@@H]2OC ZINC000096109396 402059585 /nfs/dbraw/zinc/05/95/85/402059585.db2.gz OZXDYNSVININMC-BBWFWOEESA-N 0 3 302.418 2.176 40 0 DEABHN CO[C@H]1CCN(C2CCC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096109478 402059903 /nfs/dbraw/zinc/05/99/03/402059903.db2.gz DLDGENYHUJEZMN-KSZLIROESA-N 0 3 301.434 2.155 40 0 DEABHN Cc1occc1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096110635 402060415 /nfs/dbraw/zinc/06/04/15/402060415.db2.gz LYCBHSTYXCJRHY-HZPDHXFCSA-N 0 3 311.385 2.187 40 0 DEABHN Cc1ccc(CN2CCC[C@]3(CO[C@@H](C(=O)N(C)C)C3)C2)o1 ZINC000096048887 402050665 /nfs/dbraw/zinc/05/06/65/402050665.db2.gz NMHRLHSWSBKWEE-NVXWUHKLSA-N 0 3 306.406 2.047 40 0 DEABHN CC(C)N1CCOC[C@@]2(CN(Cc3ccc(F)cc3)CCO2)C1 ZINC000096049730 402051262 /nfs/dbraw/zinc/05/12/62/402051262.db2.gz GRZLBLUZBKNOER-GOSISDBHSA-N 0 3 322.424 2.137 40 0 DEABHN O=C(c1cccs1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096053766 402052108 /nfs/dbraw/zinc/05/21/08/402052108.db2.gz ZIPALYZFYJXZID-HUUCEWRRSA-N 0 3 313.426 2.347 40 0 DEABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccsc4)C[C@H]32)n1 ZINC000096057247 402053161 /nfs/dbraw/zinc/05/31/61/402053161.db2.gz DIALRWLSRSCVSX-KFWWJZLASA-N 0 3 319.430 2.377 40 0 DEABHN O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057459 402053215 /nfs/dbraw/zinc/05/32/15/402053215.db2.gz DQXAIRXHUSQZRP-BZUAXINKSA-N 0 3 320.458 2.396 40 0 DEABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccoc2)CC12CCOCC2 ZINC000096078600 402057118 /nfs/dbraw/zinc/05/71/18/402057118.db2.gz BKFZUZANIAIQSR-HNNXBMFYSA-N 0 3 306.406 2.033 40 0 DEABHN COCCN1CCC2(C[C@@H](Nc3cccc(OC)c3)CO2)CC1 ZINC000096221505 402072103 /nfs/dbraw/zinc/07/21/03/402072103.db2.gz YNTMZGIFJSRJES-MRXNPFEDSA-N 0 3 320.433 2.377 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228882 402072797 /nfs/dbraw/zinc/07/27/97/402072797.db2.gz CRLAFLPBJGMZKO-MRXNPFEDSA-N 0 3 308.447 2.323 40 0 DEABHN CC(C)CN1CCN(C)C(=O)C12CCN(Cc1ccco1)CC2 ZINC000096230254 402073480 /nfs/dbraw/zinc/07/34/80/402073480.db2.gz NICWHVGYXFLFGN-UHFFFAOYSA-N 0 3 319.449 2.044 40 0 DEABHN c1cncc(CN2CCC3(CC(N4CCCC4)=NO3)CC2)c1 ZINC000096240292 402074198 /nfs/dbraw/zinc/07/41/98/402074198.db2.gz WBDIPTNFLUJDQC-UHFFFAOYSA-N 0 3 300.406 2.246 40 0 DEABHN O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1cncnc1 ZINC000096239199 402074214 /nfs/dbraw/zinc/07/42/14/402074214.db2.gz IEJGOMMPVBIDHK-INIZCTEOSA-N 0 3 314.414 2.167 40 0 DEABHN Cn1cc(CN2CCc3ncnc(-c4ccoc4)c3CC2)cn1 ZINC000096255150 402074855 /nfs/dbraw/zinc/07/48/55/402074855.db2.gz UQFXGIRUBAFNTM-UHFFFAOYSA-N 0 3 309.373 2.071 40 0 DEABHN CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CCN(C)CC2 ZINC000096260598 402075618 /nfs/dbraw/zinc/07/56/18/402075618.db2.gz RLVOTQZDBANXPE-UHFFFAOYSA-N 0 3 316.449 2.072 40 0 DEABHN CN(Cc1ccccn1)[C@@H]1C=CC2(CC1)CCN(C(N)=O)CC2 ZINC000096159851 402063300 /nfs/dbraw/zinc/06/33/00/402063300.db2.gz URZXWORLRVZOLE-MRXNPFEDSA-N 0 3 314.433 2.393 40 0 DEABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)cn1 ZINC000096184593 402065078 /nfs/dbraw/zinc/06/50/78/402065078.db2.gz BQSSKWVIGHJAIJ-JKSUJKDBSA-N 0 3 302.447 2.330 40 0 DEABHN CN(C)CCN1CCN(Cc2ccco2)Cc2cccnc21 ZINC000096198827 402067474 /nfs/dbraw/zinc/06/74/74/402067474.db2.gz DKIJIDNCWOTFLP-UHFFFAOYSA-N 0 3 300.406 2.058 40 0 DEABHN Cc1cncc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)c1 ZINC000096200999 402067941 /nfs/dbraw/zinc/06/79/41/402067941.db2.gz GQSVXMAMQMYAJB-MSOLQXFVSA-N 0 3 324.428 2.172 40 0 DEABHN CNc1cnc(C[C@@H]2CCCN(Cc3cncn3C)CC2)cn1 ZINC000257208213 402703397 /nfs/dbraw/zinc/70/33/97/402703397.db2.gz BLEJRFXCUHLBPM-CQSZACIVSA-N 0 3 314.437 2.097 40 0 DEABHN Cc1cc([C@H]2CN(C(=O)CN3CCCCCC3)CCO2)ccn1 ZINC000257218430 402704581 /nfs/dbraw/zinc/70/45/81/402704581.db2.gz DDCQOKASSTZNBU-QGZVFWFLSA-N 0 3 317.433 2.166 40 0 DEABHN COc1ccccc1[C@H]1CN(CC2CCOCC2)CCN1C ZINC000257230057 402706476 /nfs/dbraw/zinc/70/64/76/402706476.db2.gz GAPDXXVGQRIODC-QGZVFWFLSA-N 0 3 304.434 2.410 40 0 DEABHN COCCN1CCC[C@H](Cc2cnc(-c3cc(C)[nH]n3)cn2)C1 ZINC000257252224 402708656 /nfs/dbraw/zinc/70/86/56/402708656.db2.gz JTZKTURDAXAJGU-CQSZACIVSA-N 0 3 315.421 2.076 40 0 DEABHN CNCC(=O)N1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257255570 402709615 /nfs/dbraw/zinc/70/96/15/402709615.db2.gz KHZYIXCPVZDUAN-AWEZNQCLSA-N 0 3 312.417 2.020 40 0 DEABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccc(F)cc2)C1 ZINC000242437322 277202818 /nfs/dbraw/zinc/20/28/18/277202818.db2.gz BYXVVXTXINETJW-HUUCEWRRSA-N 0 3 323.412 2.425 40 0 DEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242400290 279299451 /nfs/dbraw/zinc/29/94/51/279299451.db2.gz ATIZSGOWKDTQIO-JOCQHMNTSA-N 0 3 313.442 2.018 40 0 DEABHN CC(C)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 ZINC000306134201 529106552 /nfs/dbraw/zinc/10/65/52/529106552.db2.gz NFPSCWUMYQAPKO-AWEZNQCLSA-N 0 3 300.410 2.016 40 0 DEABHN O=S(=O)([N-]C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079440511 185171684 /nfs/dbraw/zinc/17/16/84/185171684.db2.gz SDOWRVUKDREMNK-JTQLQIEISA-N 0 3 323.245 2.414 40 0 DEABHN O[C@@H]1C[C@H](c2ccccc2)[C@@H](NCc2ccc(F)cc2)[C@@H]1O ZINC000072321867 191122339 /nfs/dbraw/zinc/12/23/39/191122339.db2.gz LXASOHILAFZWTK-BRSBDYLESA-N 0 3 301.361 2.193 40 0 biogenic,in-vitro DEABHN Cn1cc(CN2CC[C@@]3(c4ccccc4)CCN(C)[C@@H]3C2)cn1 ZINC000096058418 355697978 /nfs/dbraw/zinc/69/79/78/355697978.db2.gz KIKDBKSXYHFZDL-RTBURBONSA-N 0 3 310.445 2.268 40 0 DEABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3CC)CC2)cn1 ZINC000585100623 357332912 /nfs/dbraw/zinc/33/29/12/357332912.db2.gz QHLILJIPKUFIQU-QGZVFWFLSA-N 0 3 304.438 2.270 40 0 DEABHN O=C(C[C@H]1Cn2cccc2CN(C2CCC2)C1)N1CCCO1 ZINC000585099095 357333206 /nfs/dbraw/zinc/33/32/06/357333206.db2.gz LWJSIDOGLGQEDP-AWEZNQCLSA-N 0 3 303.406 2.026 40 0 DEABHN CN1CCC[C@@H]1c1ccnc(N2CC3(CCOCC3)OC2=O)c1 ZINC000585178792 357340106 /nfs/dbraw/zinc/34/01/06/357340106.db2.gz DZACOUUXQNDDKG-CQSZACIVSA-N 0 3 317.389 2.354 40 0 DEABHN Cc1ccc(C[N@@H+]2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)cc1 ZINC000257299145 203022344 /nfs/dbraw/zinc/02/23/44/203022344.db2.gz ROXFJCUCHJQHEG-INIZCTEOSA-N 0 3 313.401 2.182 40 0 DEABHN Cc1ccc(C[N@H+]2CCOC[C@@H](Cc3cc(=O)[n-]cn3)C2)cc1 ZINC000257299145 203022348 /nfs/dbraw/zinc/02/23/48/203022348.db2.gz ROXFJCUCHJQHEG-INIZCTEOSA-N 0 3 313.401 2.182 40 0 DEABHN O=C(C1CCCC1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292291 182113395 /nfs/dbraw/zinc/11/33/95/182113395.db2.gz TYAZJLJCGWAFIH-CQSZACIVSA-N 0 3 314.433 2.019 40 0 DEABHN O=C(C1CCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019292404 182113541 /nfs/dbraw/zinc/11/35/41/182113541.db2.gz UBRSCDJDUNNBBU-UHFFFAOYSA-N 0 3 314.433 2.019 40 0 DEABHN CCN1CCC[C@H]1CNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000022587078 182327404 /nfs/dbraw/zinc/32/74/04/182327404.db2.gz IPBIEUUILOVODC-CYJAXWMASA-N 0 3 321.509 2.391 40 0 DEABHN COc1cc(CNC(C)(C)CO)cc(Br)c1OC ZINC000006883112 401733496 /nfs/dbraw/zinc/73/34/96/401733496.db2.gz ONCALYXVKQNUHZ-UHFFFAOYSA-N 0 3 318.211 2.327 40 0 DEABHN CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 ZINC000007387831 401739666 /nfs/dbraw/zinc/73/96/66/401739666.db2.gz RHELFPFFNDYTFN-UHFFFAOYSA-N 0 3 301.312 2.329 40 0 DEABHN CC1(C)NC(=N)NC(=N)N1c1ccc(C(=O)c2ccccc2)cc1 ZINC000017040319 401820174 /nfs/dbraw/zinc/82/01/74/401820174.db2.gz HLMCKSIJVYJMOC-UHFFFAOYSA-N 0 3 321.384 2.103 40 0 DEABHN CC[C@H](OC[C@H](O)CN1CCN(CC)CC1)c1ccccc1 ZINC000022030789 401826247 /nfs/dbraw/zinc/82/62/47/401826247.db2.gz VSEBAVWJBVADMN-MSOLQXFVSA-N 0 3 306.450 2.153 40 0 DEABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2cccc(F)c2)C1 ZINC000035622914 401900318 /nfs/dbraw/zinc/90/03/18/401900318.db2.gz VRYSCJWEGYNXBY-GJZGRUSLSA-N 0 3 323.412 2.425 40 0 DEABHN O=C([C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096041141 402048848 /nfs/dbraw/zinc/04/88/48/402048848.db2.gz SCABSYODHHFRMH-HRCADAONSA-N 0 3 320.458 2.207 40 0 DEABHN Cn1cc([C@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cn1 ZINC000096047802 402050854 /nfs/dbraw/zinc/05/08/54/402050854.db2.gz OTTRTLBSHWQXCN-OAHLLOKOSA-N 0 3 312.417 2.354 40 0 DEABHN CC(C)NC(=O)[C@H]1CN(Cc2ccoc2)CC12CCOCC2 ZINC000096078601 402057025 /nfs/dbraw/zinc/05/70/25/402057025.db2.gz BKFZUZANIAIQSR-OAHLLOKOSA-N 0 3 306.406 2.033 40 0 DEABHN CN(C)C(=O)CN1CCC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096214873 402070380 /nfs/dbraw/zinc/07/03/80/402070380.db2.gz QBMJLHUXGHBZLJ-QGZVFWFLSA-N 0 3 321.490 2.267 40 0 DEABHN c1c[nH]c(CN2CC[C@H]3OCCN(c4cccnc4)[C@H]3CC2)c1 ZINC000096249425 402074968 /nfs/dbraw/zinc/07/49/68/402074968.db2.gz AODWECBXTYRADR-ZWKOTPCHSA-N 0 3 312.417 2.280 40 0 DEABHN Cn1cccc1CN1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC000096157806 402063519 /nfs/dbraw/zinc/06/35/19/402063519.db2.gz XCDLLRWRKDBUIB-UHFFFAOYSA-N 0 3 301.434 2.250 40 0 DEABHN CCN1CCN(c2ccc(N)cc2NC(=O)c2ccco2)CC1 ZINC000226260883 402326836 /nfs/dbraw/zinc/32/68/36/402326836.db2.gz GQCDGCSDPHUCPP-UHFFFAOYSA-N 0 3 314.389 2.256 40 0 DEABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccccc2F)c1 ZINC000257228548 402705814 /nfs/dbraw/zinc/70/58/14/402705814.db2.gz FUGAGTAHQTYWMV-UHFFFAOYSA-N 0 3 324.359 2.400 40 0 DEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)c1 ZINC000257237822 402706974 /nfs/dbraw/zinc/70/69/74/402706974.db2.gz HIIDEEZVXHBVAD-LBPRGKRZSA-N 0 3 312.373 2.162 40 0 DEABHN O=c1cc(C[C@@H]2COCCN(Cc3cccc(F)c3)C2)nc[nH]1 ZINC000257272157 402711579 /nfs/dbraw/zinc/71/15/79/402711579.db2.gz NBHBHYMJQMOTPG-AWEZNQCLSA-N 0 3 317.364 2.012 40 0 DEABHN C[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)C1=CCN(C)CC1 ZINC000332842701 403624477 /nfs/dbraw/zinc/62/44/77/403624477.db2.gz VJZVOZKUTPXFKL-CZUORRHYSA-N 0 3 317.437 2.297 40 0 DEABHN Cc1cccc(N2CCN(C(=O)C3CCN(C)CC3)CC2)c1C ZINC000074707404 185010789 /nfs/dbraw/zinc/01/07/89/185010789.db2.gz RHGLTHXCKXYQOL-UHFFFAOYSA-N 0 3 315.461 2.294 40 0 DEABHN CC(C)N(C[C@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079408130 185169689 /nfs/dbraw/zinc/16/96/89/185169689.db2.gz VNRCECBATMXGGZ-AWEZNQCLSA-N 0 3 300.443 2.336 40 0 DEABHN CCN(C[C@H]1CCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411027 185169824 /nfs/dbraw/zinc/16/98/24/185169824.db2.gz NPLCFBXMNVQOGA-MRXNPFEDSA-N 0 3 306.406 2.102 40 0 DEABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391270 185168035 /nfs/dbraw/zinc/16/80/35/185168035.db2.gz DOVPZTAIJAVTKW-RWMBFGLXSA-N 0 3 313.442 2.018 40 0 DEABHN NC(=O)c1cn[nH]c1[C@H]1CCCN1Cc1ccc2[nH]ccc2c1 ZINC000072366182 191135518 /nfs/dbraw/zinc/13/55/18/191135518.db2.gz DMCMYCGYLYVBRL-OAHLLOKOSA-N 0 3 309.373 2.327 40 0 DEABHN Cn1cc(CN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cn1 ZINC000072369835 191139345 /nfs/dbraw/zinc/13/93/45/191139345.db2.gz VSNLVCJBVINZTJ-HNNXBMFYSA-N 0 3 309.373 2.460 40 0 DEABHN Cc1cc(C)nc([C@H]2CCN(C(=O)CN3CCCCCC3)C2)n1 ZINC000072369672 191139623 /nfs/dbraw/zinc/13/96/23/191139623.db2.gz XGSDCIFKZPVZOL-INIZCTEOSA-N 0 3 316.449 2.285 40 0 DEABHN c1cnc(-c2nnc([C@@H]3CCCN(Cc4ccncc4)C3)o2)cn1 ZINC000072390052 191147447 /nfs/dbraw/zinc/14/74/47/191147447.db2.gz CZEPXXZXYVYCHT-CQSZACIVSA-N 0 3 322.372 2.301 40 0 DEABHN O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(Cc1ccccc1)C1CC1 ZINC000001640684 180882120 /nfs/dbraw/zinc/88/21/20/180882120.db2.gz CFCSBBISFREYTC-MJGOQNOKSA-N 0 3 315.413 2.008 40 0 DEABHN Fc1cnc(N2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)nc1 ZINC000096161692 283036638 /nfs/dbraw/zinc/03/66/38/283036638.db2.gz PHRVARBDUNENEB-OKILXGFUSA-N 0 3 316.355 2.323 40 0 DEABHN CCC[C@@H](C)N1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099606 357333173 /nfs/dbraw/zinc/33/31/73/357333173.db2.gz SGKQGSAUJFFMBK-KDOFPFPSSA-N 0 3 317.433 2.003 40 0 DEABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)COC(C)C)cc2c1 ZINC000585291803 357345635 /nfs/dbraw/zinc/34/56/35/357345635.db2.gz DDDFTYYSVWUPLD-MRXNPFEDSA-N 0 3 318.417 2.433 40 0 DEABHN Cc1cc2nc(C3CCN(Cc4c[nH]nc4C)CC3)ccn2n1 ZINC000257304014 203027706 /nfs/dbraw/zinc/02/77/06/203027706.db2.gz SJSMLJOHUNNNNA-UHFFFAOYSA-N 0 3 310.405 2.449 40 0 DEABHN c1cncc(CN2CCC3(CO[C@H](Cc4cnccn4)C3)CC2)c1 ZINC000257340880 203061554 /nfs/dbraw/zinc/06/15/54/203061554.db2.gz ZHXJESYVNVGXKS-GOSISDBHSA-N 0 3 324.428 2.485 40 0 DEABHN O=C(c1ccccc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019368914 182119845 /nfs/dbraw/zinc/11/98/45/182119845.db2.gz PLGMINNTBCQGAT-MRXNPFEDSA-N 0 3 308.385 2.100 40 0 DEABHN c1csc(CN2CCC3(CC2)COCCN3CC2CC2)n1 ZINC000063527211 184285162 /nfs/dbraw/zinc/28/51/62/184285162.db2.gz RSSAOYJUGHKXNZ-UHFFFAOYSA-N 0 3 307.463 2.220 40 0 DEABHN COc1c2c(c([C@H](O)C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242649320 257120315 /nfs/dbraw/zinc/12/03/15/257120315.db2.gz SAXVZDXBUHXXGH-ZDUSSCGKSA-N 0 3 319.279 2.008 40 0 DEABHN COc1c2c(c([C@@H](O)C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242649318 257120402 /nfs/dbraw/zinc/12/04/02/257120402.db2.gz SAXVZDXBUHXXGH-CYBMUJFWSA-N 0 3 319.279 2.008 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@](O)(CN)c1ccccc1 ZINC000072208000 257128009 /nfs/dbraw/zinc/12/80/09/257128009.db2.gz DBFWNSCDJLQVOI-YOEHRIQHSA-N 0 3 306.406 2.232 40 0 DEABHN COc1cc([C@@H]2CNCc3cc(OC)c(O)cc32)ccc1O ZINC000004963070 401728279 /nfs/dbraw/zinc/72/82/79/401728279.db2.gz OVSLAHWMVVLOHG-ZDUSSCGKSA-N 0 3 301.342 2.350 40 0 DEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000006953125 401734449 /nfs/dbraw/zinc/73/44/49/401734449.db2.gz PGUDLTPRLGRWEE-CYBMUJFWSA-N 0 3 323.824 2.187 40 0 DEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 ZINC000006953169 401734828 /nfs/dbraw/zinc/73/48/28/401734828.db2.gz PGUDLTPRLGRWEE-ZDUSSCGKSA-N 0 3 323.824 2.187 40 0 DEABHN CCN(CC)CCOC(=O)c1c(OC)ccc(OC)c1OC ZINC000001646546 401708924 /nfs/dbraw/zinc/70/89/24/401708924.db2.gz XPRFXEVMCYKEMN-UHFFFAOYSA-N 0 3 311.378 2.211 40 0 DEABHN COc1cc(NC(=S)NC[C@@H]2CCCN(C)C2)cc(OC)c1 ZINC000009876264 401766366 /nfs/dbraw/zinc/76/63/66/401766366.db2.gz MEIFMNVYEAYJOR-LBPRGKRZSA-N 0 3 323.462 2.332 40 0 DEABHN CCOC[C@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096106389 402059205 /nfs/dbraw/zinc/05/92/05/402059205.db2.gz CSMLVCZSVKPHSE-INIZCTEOSA-N 0 3 307.438 2.075 40 0 DEABHN Fc1cnccc1CNC[C@H]1COCc2nc3ccccc3n21 ZINC000096112713 402060360 /nfs/dbraw/zinc/06/03/60/402060360.db2.gz YHJRESJTABRTKA-ZDUSSCGKSA-N 0 3 312.348 2.432 40 0 biogenic,in-vitro DEABHN c1ccc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC000096040597 402048759 /nfs/dbraw/zinc/04/87/59/402048759.db2.gz CEKNANBPDQSAJA-JQHSSLGASA-N 0 3 301.434 2.157 40 0 DEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@@H]21)N1CCCC1 ZINC000096043433 402049972 /nfs/dbraw/zinc/04/99/72/402049972.db2.gz MZHXUVCNBOVNBQ-BRWVUGGUSA-N 0 3 318.417 2.129 40 0 DEABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)s1 ZINC000096052284 402051782 /nfs/dbraw/zinc/05/17/82/402051782.db2.gz NHHCRIJOALYMQZ-NVXWUHKLSA-N 0 3 324.490 2.368 40 0 DEABHN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096208553 402069627 /nfs/dbraw/zinc/06/96/27/402069627.db2.gz OVGUNAWIRUMEOQ-SJLPKXTDSA-N 0 3 317.433 2.081 40 0 DEABHN c1ccc(CN2CC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107226456 402227957 /nfs/dbraw/zinc/22/79/57/402227957.db2.gz BLLLVAZJEIVAGU-SJLPKXTDSA-N 0 3 310.401 2.322 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC000107742886 402240112 /nfs/dbraw/zinc/24/01/12/402240112.db2.gz RRAJQHQFHATRPL-PBHICJAKSA-N 0 3 311.385 2.386 40 0 DEABHN COc1ccc(NC(=S)NCCN(C)C)c2cccnc12 ZINC000225404778 402316606 /nfs/dbraw/zinc/31/66/06/402316606.db2.gz VBCAWNSYWPMVMC-UHFFFAOYSA-N 0 3 304.419 2.091 40 0 DEABHN CNc1cnc(C[C@H]2CCCN(Cc3cncnc3)CC2)cn1 ZINC000257216016 402704593 /nfs/dbraw/zinc/70/45/93/402704593.db2.gz CSSDXUNMIJDLER-AWEZNQCLSA-N 0 3 312.421 2.153 40 0 DEABHN CC(=O)N1CCN(CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000257283582 402711228 /nfs/dbraw/zinc/71/12/28/402711228.db2.gz OYXGYULKJJXMFK-SFHVURJKSA-N 0 3 302.418 2.318 40 0 DEABHN COCCN1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255292 277227739 /nfs/dbraw/zinc/22/77/39/277227739.db2.gz JNUVAOGHBZVVIG-UHFFFAOYSA-N 0 3 301.365 2.330 40 0 DEABHN O=C(c1ccccc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019368737 280212489 /nfs/dbraw/zinc/21/24/89/280212489.db2.gz FSLYQUZIUPZVCN-OAHLLOKOSA-N 0 3 322.412 2.142 40 0 DEABHN COCCN1CCC(Nc2ncnc3c(C)cccc23)CC1 ZINC000177893892 539633220 /nfs/dbraw/zinc/63/32/20/539633220.db2.gz YZDIHSQFYWATRW-UHFFFAOYSA-N 0 3 300.406 2.461 40 0 DEABHN Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCCCC1 ZINC000225594250 186281058 /nfs/dbraw/zinc/28/10/58/186281058.db2.gz HLQDPUHMOPTUOV-UHFFFAOYSA-N 0 3 314.426 2.288 40 0 DEABHN c1cn(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)cn1 ZINC000072350553 191127854 /nfs/dbraw/zinc/12/78/54/191127854.db2.gz LHAJDUSSJFCIIH-INIZCTEOSA-N 0 3 320.400 2.437 40 0 DEABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3CCO)n2)n1 ZINC000072380434 191142064 /nfs/dbraw/zinc/14/20/64/191142064.db2.gz VKWOVWVXXGUCNP-HNNXBMFYSA-N 0 3 313.405 2.361 40 0 DEABHN CN1CCC[C@H](Cc2cnc(C(=O)NCc3ccccc3)cn2)C1 ZINC000072382866 191143290 /nfs/dbraw/zinc/14/32/90/191143290.db2.gz ZAAIHRBOBYMRDL-MRXNPFEDSA-N 0 3 324.428 2.291 40 0 DEABHN Cc1nc(C(=O)N2CCC(C)CC2)cc(C2CCN(C)CC2)n1 ZINC000072387201 191144800 /nfs/dbraw/zinc/14/48/00/191144800.db2.gz QMQZPEAUFLUAAL-UHFFFAOYSA-N 0 3 316.449 2.466 40 0 DEABHN CCN(CC)c1ncc(CN2CCC[C@](C)(C(=O)NC)C2)s1 ZINC000072346334 354900772 /nfs/dbraw/zinc/90/07/72/354900772.db2.gz WUIVUMIELNBDEZ-INIZCTEOSA-N 0 3 324.494 2.337 40 0 DEABHN COCCN1CC[C@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101736 357333100 /nfs/dbraw/zinc/33/31/00/357333100.db2.gz CTQQNJMKFQGFIK-IBGZPJMESA-N 0 3 316.445 2.333 40 0 DEABHN Cc1cc(CN2CCC3(CC(NC(=O)OCCF)C3)CC2)[nH]n1 ZINC000585103044 357334553 /nfs/dbraw/zinc/33/45/53/357334553.db2.gz LGMFWZLWIYTYKA-UHFFFAOYSA-N 0 3 324.400 2.158 40 0 DEABHN Cc1cc(CN2CCC3(CC(NC(=O)OCCF)C3)CC2)n[nH]1 ZINC000585103044 357334554 /nfs/dbraw/zinc/33/45/54/357334554.db2.gz LGMFWZLWIYTYKA-UHFFFAOYSA-N 0 3 324.400 2.158 40 0 DEABHN CN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109737 357335071 /nfs/dbraw/zinc/33/50/71/357335071.db2.gz NCRYCVBOABAKDV-JENIJYKNSA-N 0 3 314.429 2.319 40 0 DEABHN Cc1csc(Nc2cc([C@H]3CCN(CCO)C3)nc(C)n2)n1 ZINC000257310054 203034190 /nfs/dbraw/zinc/03/41/90/203034190.db2.gz UDMUIPIMGTVSCV-LBPRGKRZSA-N 0 3 319.434 2.075 40 0 DEABHN CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3)ccc2c1N ZINC000257316029 203040942 /nfs/dbraw/zinc/04/09/42/203040942.db2.gz VDVKDDYXDXMBTH-JTQLQIEISA-N 0 3 304.419 2.395 40 0 DEABHN Cc1nc([C@H]2CCCN2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000257321796 203045911 /nfs/dbraw/zinc/04/59/11/203045911.db2.gz WDGNBKNPCBGZAZ-OAHLLOKOSA-N 0 3 314.364 2.279 40 0 DEABHN NCC(=O)N1CCC2(CO[C@@H](Cc3ccc(Cl)cc3)C2)CC1 ZINC000257322622 203048182 /nfs/dbraw/zinc/04/81/82/203048182.db2.gz WGSHMEHIQQJDOO-HNNXBMFYSA-N 0 3 322.836 2.239 40 0 DEABHN COc1ccc(F)cc1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000285102054 218292453 /nfs/dbraw/zinc/29/24/53/218292453.db2.gz KJODBHXJYPUPKG-UONOGXRCSA-N 0 3 315.410 2.280 40 0 DEABHN CC1(C)CN(Cc2ccccc2)CCO[C@H]1N1CCOCC1 ZINC000001580586 401708352 /nfs/dbraw/zinc/70/83/52/401708352.db2.gz ITRDUFRBZQOUCA-QGZVFWFLSA-N 0 3 304.434 2.203 40 0 DEABHN COc1ccc(N2C(=O)C[C@@H](NCC3CCCCC3)C2=O)cc1 ZINC000013450780 401799823 /nfs/dbraw/zinc/79/98/23/401799823.db2.gz ITBAQFJMLZWCFN-MRXNPFEDSA-N 0 3 316.401 2.497 40 0 DEABHN COc1ccc(OC)c(NC(=S)NC[C@@H]2CCCN(C)C2)c1 ZINC000009876249 401766374 /nfs/dbraw/zinc/76/63/74/401766374.db2.gz OUPGMVCBGXEDAT-LBPRGKRZSA-N 0 3 323.462 2.332 40 0 DEABHN CCCN1C[C@H](NC(=O)C2CC2)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364765 401783742 /nfs/dbraw/zinc/78/37/42/401783742.db2.gz SJPSHIWNJVZJQM-SJORKVTESA-N 0 3 302.418 2.399 40 0 DEABHN CN(C)C[C@@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 ZINC000085470199 401916678 /nfs/dbraw/zinc/91/66/78/401916678.db2.gz CADBQSGMSLXANG-CQSZACIVSA-N 0 3 322.474 2.349 40 0 DEABHN Cn1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cn1 ZINC000096039802 402048028 /nfs/dbraw/zinc/04/80/28/402048028.db2.gz TUDBNEXZGGSTBJ-QZTJIDSGSA-N 0 3 319.449 2.218 40 0 DEABHN CC(C)OC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096040498 402048042 /nfs/dbraw/zinc/04/80/42/402048042.db2.gz NCVIWKLYIGJRTJ-SJORKVTESA-N 0 3 307.438 2.216 40 0 DEABHN Cc1cc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040602 402049097 /nfs/dbraw/zinc/04/90/97/402049097.db2.gz UPBUWXRMDFPLSE-UAGQMJEPSA-N 0 3 305.422 2.058 40 0 DEABHN CC(C)NC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096043140 402049358 /nfs/dbraw/zinc/04/93/58/402049358.db2.gz NWEYDZJOTSJOBT-KSZLIROESA-N 0 3 316.445 2.233 40 0 DEABHN Cc1ccc(CN2CC[C@H]3C[C@H](c4n[nH]c(C)n4)O[C@@H]3C2)o1 ZINC000096046199 402050549 /nfs/dbraw/zinc/05/05/49/402050549.db2.gz MGUSGPPRKYHEBE-NWANDNLSSA-N 0 3 302.378 2.367 40 0 DEABHN CC(C)N1CCOC[C@]2(CN(Cc3cccs3)CCO2)C1 ZINC000096049715 402051169 /nfs/dbraw/zinc/05/11/69/402051169.db2.gz QUIWMOYBSDKURI-INIZCTEOSA-N 0 3 310.463 2.060 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccsc1 ZINC000096082431 402057631 /nfs/dbraw/zinc/05/76/31/402057631.db2.gz RZOATZVKNZAFGE-YESZJQIVSA-N 0 3 324.490 2.306 40 0 DEABHN O=C(c1ccsc1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096246142 402073688 /nfs/dbraw/zinc/07/36/88/402073688.db2.gz HUIRQOVTADUNCC-NUEKZKHPSA-N 0 3 320.458 2.321 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1ccccn1 ZINC000096239158 402073988 /nfs/dbraw/zinc/07/39/88/402073988.db2.gz JDKFRWHEGPRURK-GOSISDBHSA-N 0 3 308.385 2.106 40 0 DEABHN CCN1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260582 402075653 /nfs/dbraw/zinc/07/56/53/402075653.db2.gz VRNXMGMXEJHVFW-UHFFFAOYSA-N 0 3 316.449 2.026 40 0 DEABHN CN(C)C(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157428 402063282 /nfs/dbraw/zinc/06/32/82/402063282.db2.gz JJRQWEGTRBMINV-UHFFFAOYSA-N 0 3 302.422 2.051 40 0 DEABHN Cc1ccc(N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1 ZINC000219867381 402299822 /nfs/dbraw/zinc/29/98/22/402299822.db2.gz RYZMAFVZWFSVIJ-UHFFFAOYSA-N 0 3 315.461 2.422 40 0 DEABHN Clc1ccccc1OCCc1cc([C@@H]2CNCCO2)n[nH]1 ZINC000257248665 402707936 /nfs/dbraw/zinc/70/79/36/402707936.db2.gz JESBNHYTAMSFRF-HNNXBMFYSA-N 0 3 307.781 2.346 40 0 DEABHN CCOC(=O)c1cc(CN2CCCCC2)c2ccccn2c1=O ZINC000255190269 402681024 /nfs/dbraw/zinc/68/10/24/402681024.db2.gz WATZDALTIZGDBI-UHFFFAOYSA-N 0 3 314.385 2.462 40 0 DEABHN CN1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc12 ZINC000096242389 277035583 /nfs/dbraw/zinc/03/55/83/277035583.db2.gz BYDVRYBGEPIYBR-UHFFFAOYSA-N 0 3 322.412 2.096 40 0 DEABHN CCCN1CCC2(CC1)NCc1cc(OC)c(OC)cc1C2=O ZINC000261508334 636485221 /nfs/dbraw/zinc/48/52/21/636485221.db2.gz RLVSDPKTLLLXMW-UHFFFAOYSA-N 0 3 318.417 2.234 40 0 DEABHN O=C(OCc1ccccc1)N(C[C@@H]1CCN(CCO)C1)C1CC1 ZINC000079411250 185169884 /nfs/dbraw/zinc/16/98/84/185169884.db2.gz SAYFEELLMPJZDY-MRXNPFEDSA-N 0 3 318.417 2.102 40 0 DEABHN O=C(OCc1ccccc1)N(C[C@@H]1CCCN1CCO)C1CC1 ZINC000079411239 185169921 /nfs/dbraw/zinc/16/99/21/185169921.db2.gz HSAXWQNGUQXTID-KRWDZBQOSA-N 0 3 318.417 2.244 40 0 DEABHN CO[C@@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 ZINC000225643388 186286021 /nfs/dbraw/zinc/28/60/21/186286021.db2.gz VLFIXCFZWASZDL-QGZVFWFLSA-N 0 3 306.406 2.381 40 0 DEABHN CCc1nccn1-c1cccc([C@H]2CCCN(CCO)C2)n1 ZINC000072355675 191130441 /nfs/dbraw/zinc/13/04/41/191130441.db2.gz AKPQOEUQKKRGED-AWEZNQCLSA-N 0 3 300.406 2.001 40 0 DEABHN Cc1noc(C2(C)CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 ZINC000072367346 191137477 /nfs/dbraw/zinc/13/74/77/191137477.db2.gz GZRFZXQDGCQCDD-KRWDZBQOSA-N 0 3 320.437 2.133 40 0 DEABHN CN1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 ZINC000072394140 191149267 /nfs/dbraw/zinc/14/92/67/191149267.db2.gz BBZBBOYBUNBOAU-UHFFFAOYSA-N 0 3 300.402 2.282 40 0 DEABHN COc1ccc(NC(=O)[C@H](C)SC2=NCCN2)cc1Cl ZINC000001792183 180896763 /nfs/dbraw/zinc/89/67/63/180896763.db2.gz QZDDPXIJCWTOCB-QMMMGPOBSA-N 0 3 313.810 2.368 40 0 DEABHN O=C1CC[C@@]2(CCCN(Cc3cccnc3)CC2)N1CCF ZINC000585100769 357332806 /nfs/dbraw/zinc/33/28/06/357332806.db2.gz VZUPRJRGDZBCDS-QGZVFWFLSA-N 0 3 305.397 2.398 40 0 DEABHN CNc1ncccc1CN1CCNC[C@@H]1c1ccc(OC)cc1 ZINC000585182266 357339781 /nfs/dbraw/zinc/33/97/81/357339781.db2.gz KMAUUNMPTCOJJD-QGZVFWFLSA-N 0 3 312.417 2.278 40 0 DEABHN CN1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290039 357344744 /nfs/dbraw/zinc/34/47/44/357344744.db2.gz QHOYHKNJQZZBPN-GVDBMIGSSA-N 0 3 324.852 2.248 40 0 DEABHN COc1ccc(CN2CCC3(CC2)OCCCC3O)c(OC)c1 ZINC000257283508 203011923 /nfs/dbraw/zinc/01/19/23/203011923.db2.gz OYQGUNRJUBPGSK-KRWDZBQOSA-N 0 3 321.417 2.210 40 0 DEABHN COc1ccc([C@@H](NCCO)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000001668852 401709610 /nfs/dbraw/zinc/70/96/10/401709610.db2.gz PDPNQUZPEWAQHI-MSOLQXFVSA-N 0 3 317.385 2.060 40 0 DEABHN CCN(CC)CCOC(=O)[C@](O)(c1ccco1)c1ccccc1 ZINC000001691667 401709616 /nfs/dbraw/zinc/70/96/16/401709616.db2.gz RRBIZLNORNLNKP-GOSISDBHSA-N 0 3 317.385 2.401 40 0 DEABHN COc1ccc(NC(=S)NC2CCN(C)CC2)c(OC)c1 ZINC000013775578 401804731 /nfs/dbraw/zinc/80/47/31/401804731.db2.gz OVBRTXCONKMOHW-UHFFFAOYSA-N 0 3 309.435 2.084 40 0 DEABHN COC(=O)c1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 ZINC000009876376 401766033 /nfs/dbraw/zinc/76/60/33/401766033.db2.gz HWKDHDWBUVOWEY-LBPRGKRZSA-N 0 3 321.446 2.101 40 0 DEABHN Cc1cc(C[N@@H+]2CCc3nc(C)[n-]c(=O)c3CC2)c(C)s1 ZINC000019567985 401822486 /nfs/dbraw/zinc/82/24/86/401822486.db2.gz YKTHASASWLOQJS-UHFFFAOYSA-N 0 3 303.431 2.357 40 0 DEABHN Cc1cc(C[N@H+]2CCc3nc(C)[n-]c(=O)c3CC2)c(C)s1 ZINC000019567985 401822488 /nfs/dbraw/zinc/82/24/88/401822488.db2.gz YKTHASASWLOQJS-UHFFFAOYSA-N 0 3 303.431 2.357 40 0 DEABHN O=C(NC1CCC1)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038876 402048157 /nfs/dbraw/zinc/04/81/57/402048157.db2.gz QQPQWVLRSBAZTG-ARFHVFGLSA-N 0 3 320.458 2.254 40 0 DEABHN COCCN1CCC2(CCN(Cc3ccc(C)o3)CC2)C1=O ZINC000096046794 402050563 /nfs/dbraw/zinc/05/05/63/402050563.db2.gz OHPPGQQPEDJWGF-UHFFFAOYSA-N 0 3 306.406 2.049 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 ZINC000096053584 402051553 /nfs/dbraw/zinc/05/15/53/402051553.db2.gz RRAJQHQFHATRPL-RHSMWYFYSA-N 0 3 311.385 2.386 40 0 DEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccsc3)C[C@@H]2C1 ZINC000096053930 402052840 /nfs/dbraw/zinc/05/28/40/402052840.db2.gz SRXOOKFXUVUBFK-CHWSQXEVSA-N 0 3 319.455 2.409 40 0 DEABHN O=C(NCc1cncc2c1CCN(CC1CC1)C2)c1ccco1 ZINC000096067423 402055865 /nfs/dbraw/zinc/05/58/65/402055865.db2.gz URQDNHSUKGGLFY-UHFFFAOYSA-N 0 3 311.385 2.373 40 0 DEABHN Cc1ccc(N2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)nn1 ZINC000096081455 402057610 /nfs/dbraw/zinc/05/76/10/402057610.db2.gz MVGPSHIEWDVSQS-SJORKVTESA-N 0 3 309.417 2.138 40 0 DEABHN c1csc(CN2C[C@H]3[C@@H](C2)CCC[C@H]3CN2CCOCC2)n1 ZINC000096090768 402057723 /nfs/dbraw/zinc/05/77/23/402057723.db2.gz BWLJWQMGAKCHIV-ARFHVFGLSA-N 0 3 321.490 2.323 40 0 DEABHN CN(Cc1cccnc1)[C@H]1COC2(C1)CCN(CCF)CC2 ZINC000096220903 402072044 /nfs/dbraw/zinc/07/20/44/402072044.db2.gz OOGXOBBQZDKLCG-MRXNPFEDSA-N 0 3 307.413 2.106 40 0 DEABHN CC(C)CN1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244108 402073957 /nfs/dbraw/zinc/07/39/57/402073957.db2.gz RZEYEOOOVAKSOF-GOSISDBHSA-N 0 3 316.449 2.428 40 0 DEABHN CCN1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096260445 402075659 /nfs/dbraw/zinc/07/56/59/402075659.db2.gz FHSQBEKOLAHMRE-UHFFFAOYSA-N 0 3 304.438 2.024 40 0 DEABHN CCOC(=O)c1cnc2c(F)ccc(F)c2c1N1CCNCC1 ZINC000064875170 402121877 /nfs/dbraw/zinc/12/18/77/402121877.db2.gz FARAMOTYWFZTQD-UHFFFAOYSA-N 0 3 321.327 2.099 40 0 DEABHN Cc1ccc(CN2CCC3(CC2)CN(CC2CC2)C(=O)CO3)o1 ZINC000096201387 402068874 /nfs/dbraw/zinc/06/88/74/402068874.db2.gz BLKLENXOVHDYKO-UHFFFAOYSA-N 0 3 318.417 2.191 40 0 DEABHN O=C1NCC[C@]12CN(Cc1nccs1)C[C@H]2c1ccccc1 ZINC000096201813 402068906 /nfs/dbraw/zinc/06/89/06/402068906.db2.gz IIDNWWGGHMTNKO-WMLDXEAASA-N 0 3 313.426 2.249 40 0 DEABHN CCCN1CCOC[C@@]2(CCN(Cc3csc(C)n3)C2)C1 ZINC000096202118 402068929 /nfs/dbraw/zinc/06/89/29/402068929.db2.gz BJBHUSMERVFQOS-INIZCTEOSA-N 0 3 309.479 2.386 40 0 DEABHN CC(C)(O)c1cc(CC2(NCC3CCCCC3)COC2)no1 ZINC000067897909 402177917 /nfs/dbraw/zinc/17/79/17/402177917.db2.gz PCFRJLVLZALYSK-UHFFFAOYSA-N 0 3 308.422 2.383 40 0 biogenic,in-vitro DEABHN CN(C)Cc1cnc([C@@H]2CN(Cc3ccsc3)CCO2)[nH]1 ZINC000257207407 402703361 /nfs/dbraw/zinc/70/33/61/402703361.db2.gz BHPQIONZSOWFDM-AWEZNQCLSA-N 0 3 306.435 2.106 40 0 DEABHN CCc1[nH]nc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)c1C ZINC000257256449 402709456 /nfs/dbraw/zinc/70/94/56/402709456.db2.gz KLNPZBOIMBBXMM-YOEHRIQHSA-N 0 3 304.438 2.369 40 0 DEABHN C[C@H]1Cc2ccccc2CN1c1ccnc(NCCN(C)C)n1 ZINC000328983599 404189582 /nfs/dbraw/zinc/18/95/82/404189582.db2.gz HHGWRJLEONMODZ-AWEZNQCLSA-N 0 3 311.433 2.401 40 0 DEABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1cscn1 ZINC000072394834 276799963 /nfs/dbraw/zinc/79/99/63/276799963.db2.gz AITQAUQGWDTSHZ-CYBMUJFWSA-N 0 3 317.414 2.108 40 0 DEABHN CC(C)(C)OC(=O)N1CCN([C@H](CN)c2ccc(F)cc2)CC1 ZINC000020179246 278400297 /nfs/dbraw/zinc/40/02/97/278400297.db2.gz RMXUHKONZAXAQJ-OAHLLOKOSA-N 0 3 323.412 2.378 40 0 DEABHN CN1CCC[C@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 ZINC000072382860 191142539 /nfs/dbraw/zinc/14/25/39/191142539.db2.gz DXIXJWRADYSPAP-CQSZACIVSA-N 0 3 316.449 2.423 40 0 DEABHN Cc1c[nH]nc1C1(C)CCN(C(=O)[C@@H]2CCCN2C(C)C)CC1 ZINC000072388937 191148005 /nfs/dbraw/zinc/14/80/05/191148005.db2.gz RWCUMUSZBWDYIK-HNNXBMFYSA-N 0 3 318.465 2.471 40 0 DEABHN COc1cccc(OC)c1OC[C@@H](O)CN1CCCC[C@H]1C ZINC000003893506 181052776 /nfs/dbraw/zinc/05/27/76/181052776.db2.gz CLFCNMVBIRZSGE-KGLIPLIRSA-N 0 3 309.406 2.318 40 0 DEABHN CCN(CC)CCNC(=O)Nc1c[nH]c2ccc(F)cc2c1=O ZINC000004907943 181171254 /nfs/dbraw/zinc/17/12/54/181171254.db2.gz HPQVNANFPZSWOO-UHFFFAOYSA-N 0 3 320.368 2.131 40 0 DEABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3CC)CC2)cn1 ZINC000585100622 357333352 /nfs/dbraw/zinc/33/33/52/357333352.db2.gz QHLILJIPKUFIQU-KRWDZBQOSA-N 0 3 304.438 2.270 40 0 DEABHN CC(C)CN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104681 357334330 /nfs/dbraw/zinc/33/43/30/357334330.db2.gz QXFFOKDAXCMJAO-IBGZPJMESA-N 0 3 316.445 2.394 40 0 DEABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cccs2)c1 ZINC000585182271 357339919 /nfs/dbraw/zinc/33/99/19/357339919.db2.gz LMPPDDDKERCWBQ-INIZCTEOSA-N 0 3 315.442 2.254 40 0 DEABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccs2)c1 ZINC000585182272 357340081 /nfs/dbraw/zinc/34/00/81/357340081.db2.gz LMPPDDDKERCWBQ-MRXNPFEDSA-N 0 3 315.442 2.254 40 0 DEABHN O[C@H]1CCN(C2CCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282749 357344233 /nfs/dbraw/zinc/34/42/33/357344233.db2.gz NKTWXJZUVQEPGF-HOTGVXAUSA-N 0 3 311.809 2.069 40 0 DEABHN O[C@@H]1CCCOC12CCN(CC1=Cc3ccccc3OC1)CC2 ZINC000257332405 203054816 /nfs/dbraw/zinc/05/48/16/203054816.db2.gz XXFJBGWFSMSZMG-GOSISDBHSA-N 0 3 315.413 2.468 40 0 DEABHN OCCOc1cccc(CN2CCNC[C@H]2c2ccccc2)c1 ZINC000257312782 203036047 /nfs/dbraw/zinc/03/60/47/203036047.db2.gz UPLUOAGHYODHFC-IBGZPJMESA-N 0 3 312.413 2.204 40 0 DEABHN Cn1cc(CN2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000019746648 182141978 /nfs/dbraw/zinc/14/19/78/182141978.db2.gz TVGSFGVRLDSYPV-QGZVFWFLSA-N 0 3 304.438 2.081 40 0 DEABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2cccc(F)c2)C1 ZINC000035622913 401900004 /nfs/dbraw/zinc/90/00/04/401900004.db2.gz VRYSCJWEGYNXBY-CABCVRRESA-N 0 3 323.412 2.425 40 0 DEABHN c1coc(CN2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)c1 ZINC000096108187 402059800 /nfs/dbraw/zinc/05/98/00/402059800.db2.gz UGWUEPUQOJCUCO-DOTOQJQBSA-N 0 3 302.374 2.205 40 0 DEABHN O=C(NCC1CC1)[C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096041117 402049139 /nfs/dbraw/zinc/04/91/39/402049139.db2.gz NTVDCPRPZOCPAV-HRCADAONSA-N 0 3 320.458 2.111 40 0 DEABHN c1cnc(N2CCC3(C2)CCN(Cc2ccncc2)CC3)nc1 ZINC000096046599 402050491 /nfs/dbraw/zinc/05/04/91/402050491.db2.gz SHQNQKMTIDCALV-UHFFFAOYSA-N 0 3 309.417 2.364 40 0 DEABHN COCCN1CCOC[C@@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049460 402050716 /nfs/dbraw/zinc/05/07/16/402050716.db2.gz HVIAUEIJXVHUEE-KRWDZBQOSA-N 0 3 324.490 2.309 40 0 DEABHN COCCN1CCOC[C@]2(CCCN(Cc3ccc(C)o3)C2)C1 ZINC000096049466 402051140 /nfs/dbraw/zinc/05/11/40/402051140.db2.gz OIODWXLRGXLYRZ-GOSISDBHSA-N 0 3 322.449 2.149 40 0 DEABHN Cc1ccc(CN2CCO[C@@]3(C2)COCCN(C(C)C)C3)s1 ZINC000096049728 402051241 /nfs/dbraw/zinc/05/12/41/402051241.db2.gz XTYWIGMFEASCIO-QGZVFWFLSA-N 0 3 324.490 2.368 40 0 DEABHN Cn1cc2c(n1)[C@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096059866 402054371 /nfs/dbraw/zinc/05/43/71/402054371.db2.gz TWLNINWPHVBTAW-KRWDZBQOSA-N 0 3 319.449 2.173 40 0 DEABHN COCCN1CCCC[C@@]12CC(=O)N(c1ccccc1OC)C2 ZINC000096217291 402071577 /nfs/dbraw/zinc/07/15/77/402071577.db2.gz WGJDCVRMFSAGCJ-SFHVURJKSA-N 0 3 318.417 2.303 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC000096228886 402072449 /nfs/dbraw/zinc/07/24/49/402072449.db2.gz ASGGXUFSINJGCF-GOSISDBHSA-N 0 3 320.408 2.400 40 0 DEABHN Cn1nc(-c2cccnc2)c2c1CN(C[C@@H]1CCOC1)CCC2 ZINC000096254438 402074912 /nfs/dbraw/zinc/07/49/12/402074912.db2.gz DJPCHVKRWMZEJC-AWEZNQCLSA-N 0 3 312.417 2.267 40 0 DEABHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2C)C1 ZINC000096146280 402061999 /nfs/dbraw/zinc/06/19/99/402061999.db2.gz PRKVVXDYGDNMKI-CYBMUJFWSA-N 0 3 324.428 2.446 40 0 DEABHN CC(C)N(C)Cc1cncc2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096189467 402066764 /nfs/dbraw/zinc/06/67/64/402066764.db2.gz NCYVZVBMKXDSTM-UHFFFAOYSA-N 0 3 312.417 2.448 40 0 DEABHN O=C([C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000097953629 402133462 /nfs/dbraw/zinc/13/34/62/402133462.db2.gz RDCPTJIUZLBWMQ-HRCADAONSA-N 0 3 320.458 2.207 40 0 DEABHN Cn1cc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cn1 ZINC000108528719 402255647 /nfs/dbraw/zinc/25/56/47/402255647.db2.gz GDKQBHCABIAULX-UHFFFAOYSA-N 0 3 316.449 2.035 40 0 DEABHN CCN1CCN(c2ccc(NC(=O)c3ccco3)cc2N)CC1 ZINC000226263946 402326756 /nfs/dbraw/zinc/32/67/56/402326756.db2.gz JSOOUYVLINLILW-UHFFFAOYSA-N 0 3 314.389 2.256 40 0 DEABHN Cc1cc(C)n2ncc(CN3CCNC[C@@H]3c3ccccc3)c2n1 ZINC000257224280 402705800 /nfs/dbraw/zinc/70/58/00/402705800.db2.gz FBCUBIQFCHUZLI-GOSISDBHSA-N 0 3 321.428 2.493 40 0 DEABHN CC(=O)N1CCN(CC2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000257269712 402711096 /nfs/dbraw/zinc/71/10/96/402711096.db2.gz MRBKPOJQKGXPNZ-GOSISDBHSA-N 0 3 302.418 2.318 40 0 DEABHN O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccn1 ZINC000306144903 534853419 /nfs/dbraw/zinc/85/34/19/534853419.db2.gz ZRXGLSYBIKUZQH-MSOLQXFVSA-N 0 3 322.412 2.174 40 0 DEABHN CC(C)N(C[C@H]1CCCCN1CCO)C(=O)OC(C)(C)C ZINC000079408119 185169611 /nfs/dbraw/zinc/16/96/11/185169611.db2.gz FDDULIRXOXTDQS-CQSZACIVSA-N 0 3 300.443 2.479 40 0 DEABHN CNC(=O)CC[C@@]1(O)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585279406 357343453 /nfs/dbraw/zinc/34/34/53/357343453.db2.gz YUGPLCVQBLUZRB-SFHVURJKSA-N 0 3 315.417 2.021 40 0 DEABHN Cc1cccc(O[C@@H]2CCC[C@H](CNCc3cc[nH]n3)[C@H]2O)c1 ZINC000585286165 357345098 /nfs/dbraw/zinc/34/50/98/357345098.db2.gz JVEZESQDWCEQAO-ZTFGCOKTSA-N 0 3 315.417 2.416 40 0 DEABHN CN(C)C(=O)c1sc2nc([C@H]3CCCCN3)ccc2c1N ZINC000257316030 203041786 /nfs/dbraw/zinc/04/17/86/203041786.db2.gz VDVKDDYXDXMBTH-SNVBAGLBSA-N 0 3 304.419 2.395 40 0 DEABHN CN(Cc1cnn(C)c1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O ZINC000257326959 203050206 /nfs/dbraw/zinc/05/02/06/203050206.db2.gz WZGIMVJOXPEPKN-SQNIBIBYSA-N 0 3 315.417 2.213 40 0 DEABHN CCN1CCC[C@H]1CN(Cc1nccn1C)Cc1ccccn1 ZINC000019527182 182128167 /nfs/dbraw/zinc/12/81/67/182128167.db2.gz ARUMENPLZYFSKN-KRWDZBQOSA-N 0 3 313.449 2.302 40 0 DEABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019575294 182130979 /nfs/dbraw/zinc/13/09/79/182130979.db2.gz NEGDXXNUJDBBQV-KWCYVHTRSA-N 0 3 314.351 2.345 40 0 DEABHN C[C@@]1(O)CCN[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289001 257216184 /nfs/dbraw/zinc/21/61/84/257216184.db2.gz DYZBFBVMVHXLMI-OFQRWUPVSA-N 0 3 308.447 2.209 40 0 biogenic,in-vitro DEABHN COCCNCc1cc(Br)c(OC)c(OC)c1 ZINC000008469040 401752810 /nfs/dbraw/zinc/75/28/10/401752810.db2.gz LYISUJAASRSZML-UHFFFAOYSA-N 0 3 304.184 2.202 40 0 DEABHN O=C(c1cscn1)N1CC[C@@H]2CN(Cc3ccco3)C[C@@H]2C1 ZINC000096054138 402052630 /nfs/dbraw/zinc/05/26/30/402052630.db2.gz INNXIFNAEPBVCL-CHWSQXEVSA-N 0 3 317.414 2.330 40 0 DEABHN COCCn1cc2c(n1)[C@H](CNCc1ccc(C)s1)OCC2 ZINC000096059699 402054451 /nfs/dbraw/zinc/05/44/51/402054451.db2.gz PDGLOZHKCOTALI-HNNXBMFYSA-N 0 3 321.446 2.303 40 0 DEABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccoc1)C2 ZINC000096224559 402072816 /nfs/dbraw/zinc/07/28/16/402072816.db2.gz MPTWUUCPSQWPCT-QGZVFWFLSA-N 0 3 312.373 2.089 40 0 DEABHN Cc1cccc(CN2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 ZINC000096159513 402063491 /nfs/dbraw/zinc/06/34/91/402063491.db2.gz OTTZLVYVZNLZSO-LJQANCHMSA-N 0 3 322.412 2.414 40 0 DEABHN O=C1N(Cc2cccnc2)CC12CCN(Cc1ccoc1)CC2 ZINC000096202866 402068793 /nfs/dbraw/zinc/06/87/93/402068793.db2.gz GGUHHLOBPMSYOJ-UHFFFAOYSA-N 0 3 311.385 2.299 40 0 DEABHN O=C1N(Cc2cccnc2)CC12CCN(Cc1cccnc1)CC2 ZINC000096202872 402068869 /nfs/dbraw/zinc/06/88/69/402068869.db2.gz MSPQPRQKYAIRTR-UHFFFAOYSA-N 0 3 322.412 2.101 40 0 DEABHN Cn1cc(CN2CC[C@]3(c4ccccc4)CCN(C)[C@H]3C2)cn1 ZINC000107755594 402239627 /nfs/dbraw/zinc/23/96/27/402239627.db2.gz KIKDBKSXYHFZDL-OALUTQOASA-N 0 3 310.445 2.268 40 0 DEABHN Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)s1 ZINC000107739486 402240127 /nfs/dbraw/zinc/24/01/27/402240127.db2.gz NHHCRIJOALYMQZ-RDJZCZTQSA-N 0 3 324.490 2.368 40 0 DEABHN Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)NC(C)C)C2)cn1 ZINC000108530997 402256275 /nfs/dbraw/zinc/25/62/75/402256275.db2.gz OQPOQXVHXIXFSI-SJLPKXTDSA-N 0 3 316.449 2.302 40 0 DEABHN CN(C)C[C@]1(O)CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000257220531 402705181 /nfs/dbraw/zinc/70/51/81/402705181.db2.gz DLDDWLVQAPQHED-MRXNPFEDSA-N 0 3 304.415 2.040 40 0 DEABHN CCN1CCC[C@@H](NC(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000494393638 405688068 /nfs/dbraw/zinc/68/80/68/405688068.db2.gz PKDCNZXIWVVJFB-OAHLLOKOSA-N 0 3 321.396 2.214 40 0 DEABHN Cc1nc(-c2cc3cc(C)ccc3nc2N2CCNCC2)no1 ZINC000089261521 274835382 /nfs/dbraw/zinc/83/53/82/274835382.db2.gz JEYHQMSDWSQQDN-UHFFFAOYSA-N 0 3 309.373 2.311 40 0 DEABHN CN(C[C@H]1CCCCN1CCO)C(=O)OCc1ccccc1 ZINC000079410977 185169803 /nfs/dbraw/zinc/16/98/03/185169803.db2.gz PCLLJSXFTFBYRJ-MRXNPFEDSA-N 0 3 306.406 2.102 40 0 DEABHN Cc1cccc(CN2C[C@H]3OC[C@H](CNc4ccccn4)[C@H]3C2)n1 ZINC000306133358 231088470 /nfs/dbraw/zinc/08/84/70/231088470.db2.gz MJNPRSZRHIDFND-CGTJXYLNSA-N 0 3 324.428 2.344 40 0 DEABHN CNC(=O)CCc1cc([C@H]2CCCN(C(C)C)C2)nc(C)n1 ZINC000072366385 191134956 /nfs/dbraw/zinc/13/49/56/191134956.db2.gz RLQCRMADURDZQD-AWEZNQCLSA-N 0 3 304.438 2.051 40 0 DEABHN COc1cccc(OC)c1OC[C@@H](O)CN1CCCC[C@@H]1C ZINC000003893507 181052850 /nfs/dbraw/zinc/05/28/50/181052850.db2.gz CLFCNMVBIRZSGE-KBPBESRZSA-N 0 3 309.406 2.318 40 0 DEABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3scnc3C)C2)C1 ZINC000585102630 357333247 /nfs/dbraw/zinc/33/32/47/357333247.db2.gz CQKNDNAABWVGGH-CQSZACIVSA-N 0 3 309.479 2.384 40 0 DEABHN CO[C@]1(CCC(=O)N(C)C)CCCN(Cc2ccncc2C)C1 ZINC000585275272 357342502 /nfs/dbraw/zinc/34/25/02/357342502.db2.gz BOTIJEQOMHKHHF-SFHVURJKSA-N 0 3 319.449 2.239 40 0 DEABHN COCCC(=O)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 ZINC000257273635 203001666 /nfs/dbraw/zinc/00/16/66/203001666.db2.gz NHMYGYZCSYRZHO-KRWDZBQOSA-N 0 3 317.433 2.377 40 0 DEABHN Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257293932 203018606 /nfs/dbraw/zinc/01/86/06/203018606.db2.gz QRTIJHOTCRSDMC-HNNXBMFYSA-N 0 3 317.414 2.176 40 0 DEABHN CCC(CC)C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019500153 182125923 /nfs/dbraw/zinc/12/59/23/182125923.db2.gz AJVKTIDYXQTDQG-AWEZNQCLSA-N 0 3 316.449 2.265 40 0 DEABHN Cc1nc(C2CCN(CCc3ccccc3)CC2)ncc1C(N)=O ZINC000019766598 182144517 /nfs/dbraw/zinc/14/45/17/182144517.db2.gz HBVKMDMSHSSZHZ-UHFFFAOYSA-N 0 3 324.428 2.306 40 0 DEABHN COc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)c(OC)c1 ZINC000009876229 401766237 /nfs/dbraw/zinc/76/62/37/401766237.db2.gz GFSUWWXKWYOCMW-GFCCVEGCSA-N 0 3 323.462 2.332 40 0 DEABHN COc1ccc2cc(CN3CC[C@@H](CO)C3)c(OC)nc2c1 ZINC000012118291 401779706 /nfs/dbraw/zinc/77/97/06/401779706.db2.gz LHWAEPDUWJGDSY-GFCCVEGCSA-N 0 3 302.374 2.066 40 0 DEABHN CCc1ccc([C@@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)cc1 ZINC000020192256 401823628 /nfs/dbraw/zinc/82/36/28/401823628.db2.gz OTVOVJAQIFVVLA-OAHLLOKOSA-N 0 3 319.368 2.246 40 0 DEABHN CCN1CCC[C@@H]1CNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000022587074 401827240 /nfs/dbraw/zinc/82/72/40/401827240.db2.gz IPBIEUUILOVODC-WFXMFSGNSA-N 0 3 321.509 2.391 40 0 DEABHN CN1CCC(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 ZINC000036610970 401905927 /nfs/dbraw/zinc/90/59/27/401905927.db2.gz JVVFMXHCYCXQHR-UHFFFAOYSA-N 0 3 322.796 2.002 40 0 DEABHN CN(Cc1[nH]nc2c1CCCC2)CC(C)(C)CN1CCOCC1 ZINC000036740637 401907163 /nfs/dbraw/zinc/90/71/63/401907163.db2.gz YQWZBQDDESCGDE-UHFFFAOYSA-N 0 3 320.481 2.079 40 0 DEABHN CN(Cc1n[nH]c2c1CCCC2)CC(C)(C)CN1CCOCC1 ZINC000036740637 401907164 /nfs/dbraw/zinc/90/71/64/401907164.db2.gz YQWZBQDDESCGDE-UHFFFAOYSA-N 0 3 320.481 2.079 40 0 DEABHN O=C1CC[C@@H](NCc2cccnc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000036740090 401907190 /nfs/dbraw/zinc/90/71/90/401907190.db2.gz VPPBTEUOCJFBGI-WBVHZDCISA-N 0 3 317.339 2.469 40 0 DEABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1sccc1C)CC[C@H]2OC ZINC000096110974 402060534 /nfs/dbraw/zinc/06/05/34/402060534.db2.gz DNHAKQNVJPCVCQ-BFHYXJOUSA-N 0 3 308.447 2.238 40 0 DEABHN Cc1cnc2n1CCN(C)C21CCN(Cc2ccncc2)CC1 ZINC000096037004 402048297 /nfs/dbraw/zinc/04/82/97/402048297.db2.gz YADGJLWSAZJESM-UHFFFAOYSA-N 0 3 311.433 2.023 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccoc3C)C2)C1 ZINC000096049603 402051070 /nfs/dbraw/zinc/05/10/70/402051070.db2.gz RTOAHZKNKAWUTI-QGZVFWFLSA-N 0 3 306.406 2.163 40 0 DEABHN Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053827 402051684 /nfs/dbraw/zinc/05/16/84/402051684.db2.gz QGVNBAXIXLCOND-GJZGRUSLSA-N 0 3 311.385 2.187 40 0 DEABHN Cc1ccc(CN2C[C@H](C(=O)NC(C)C)C3(C2)CCOCC3)o1 ZINC000096052097 402051771 /nfs/dbraw/zinc/05/17/71/402051771.db2.gz MJFLEWRJRYWZOI-MRXNPFEDSA-N 0 3 320.433 2.341 40 0 DEABHN CN(C)C(=O)CN1CCC[C@]12CCCN(Cc1cccs1)C2 ZINC000096214877 402070881 /nfs/dbraw/zinc/07/08/81/402070881.db2.gz MANWXQBPHMCVRI-KRWDZBQOSA-N 0 3 321.490 2.267 40 0 DEABHN O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1ccccn1 ZINC000096239157 402073547 /nfs/dbraw/zinc/07/35/47/402073547.db2.gz JDKFRWHEGPRURK-SFHVURJKSA-N 0 3 308.385 2.106 40 0 DEABHN O=C(c1ccsc1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096246141 402074268 /nfs/dbraw/zinc/07/42/68/402074268.db2.gz HUIRQOVTADUNCC-IMJJTQAJSA-N 0 3 320.458 2.321 40 0 DEABHN c1cc(CN2CC[C@H]3CO[C@H](CNc4ncccn4)[C@H]3C2)co1 ZINC000096185520 402066163 /nfs/dbraw/zinc/06/61/63/402066163.db2.gz MPZZRUKINQUMAQ-HRCADAONSA-N 0 3 314.389 2.019 40 0 DEABHN c1csc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)c1 ZINC000107226380 402227947 /nfs/dbraw/zinc/22/79/47/402227947.db2.gz YZURFVWBQNALLG-CJNGLKHVSA-N 0 3 316.430 2.384 40 0 DEABHN Cc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1C ZINC000108525441 402255398 /nfs/dbraw/zinc/25/53/98/402255398.db2.gz NGUQQMMLXHBQSO-UHFFFAOYSA-N 0 3 322.474 2.207 40 0 DEABHN Cc1noc(C)c1CN1CC[C@@H]2OCCN(CC3CC3)[C@H]2CC1 ZINC000252021621 402652461 /nfs/dbraw/zinc/65/24/61/402652461.db2.gz YWJTZULSFFEVBM-ROUUACIJSA-N 0 3 319.449 2.367 40 0 DEABHN COCCN1CCC[C@@](C)(c2ccc3c(C)nn(C)c3n2)C1 ZINC000257276179 274027564 /nfs/dbraw/zinc/02/75/64/274027564.db2.gz NSQLTQGKDRLSAQ-QGZVFWFLSA-N 0 3 302.422 2.277 40 0 DEABHN CN(C)CCN(C)c1nc(Cl)nc(Nc2cccc(F)c2)n1 ZINC000199799190 563914535 /nfs/dbraw/zinc/91/45/35/563914535.db2.gz LNPQMJPIAVKJPO-UHFFFAOYSA-N 0 3 324.791 2.406 40 0 DEABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000079404626 185169763 /nfs/dbraw/zinc/16/97/63/185169763.db2.gz ZKMFFZAVIGRELK-SJORKVTESA-N 0 3 303.450 2.141 40 0 DEABHN O=C(OCc1ccccc1)N(C[C@H]1CCCN1CCO)C1CC1 ZINC000079411245 185169837 /nfs/dbraw/zinc/16/98/37/185169837.db2.gz HSAXWQNGUQXTID-QGZVFWFLSA-N 0 3 318.417 2.244 40 0 DEABHN CN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391653 185168335 /nfs/dbraw/zinc/16/83/35/185168335.db2.gz JBNIHBYFFMHBSP-MRXNPFEDSA-N 0 3 306.406 2.102 40 0 DEABHN CN1CCCC[C@@]1(C)C(=O)N1CCC(c2cnccn2)CC1 ZINC000072367315 191136608 /nfs/dbraw/zinc/13/66/08/191136608.db2.gz VVRFQARFBJEXQZ-KRWDZBQOSA-N 0 3 302.422 2.057 40 0 DEABHN Cn1cc(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cn1 ZINC000072369836 191140087 /nfs/dbraw/zinc/14/00/87/191140087.db2.gz VSNLVCJBVINZTJ-OAHLLOKOSA-N 0 3 309.373 2.460 40 0 DEABHN O=C1C[C@H](NCCc2cccs2)C(=O)N1c1ccc(F)cc1 ZINC000004689939 181136990 /nfs/dbraw/zinc/13/69/90/181136990.db2.gz FSNYZAJDMAPNFT-AWEZNQCLSA-N 0 3 318.373 2.351 40 0 DEABHN Cc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 ZINC000096047720 355698049 /nfs/dbraw/zinc/69/80/49/355698049.db2.gz HELMIZKCOVWXMQ-YOEHRIQHSA-N 0 3 314.389 2.224 40 0 DEABHN Cc1ccc(OC[C@]2(O)COCCN(C3CCCC3)C2)cc1 ZINC000585269160 357339649 /nfs/dbraw/zinc/33/96/49/357339649.db2.gz KXTBVAXXXCCFKS-GOSISDBHSA-N 0 3 305.418 2.380 40 0 DEABHN CCc1nc(-c2cc3ccccc3nc2N2CCNCC2)no1 ZINC000089261519 192752298 /nfs/dbraw/zinc/75/22/98/192752298.db2.gz GQDXGOOGLHKZOO-UHFFFAOYSA-N 0 3 309.373 2.257 40 0 DEABHN Cc1ccc(C[N@@H+]2CCOC[C@H](Cc3cc(=O)[n-]cn3)C2)cc1 ZINC000257299146 203023823 /nfs/dbraw/zinc/02/38/23/203023823.db2.gz ROXFJCUCHJQHEG-MRXNPFEDSA-N 0 3 313.401 2.182 40 0 DEABHN Cc1ccc(C[N@H+]2CCOC[C@H](Cc3cc(=O)[n-]cn3)C2)cc1 ZINC000257299146 203023826 /nfs/dbraw/zinc/02/38/26/203023826.db2.gz ROXFJCUCHJQHEG-MRXNPFEDSA-N 0 3 313.401 2.182 40 0 DEABHN Cc1ccc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)s1 ZINC000257297719 203024144 /nfs/dbraw/zinc/02/41/44/203024144.db2.gz RIOSJFNDARBXKY-OAHLLOKOSA-N 0 3 320.462 2.415 40 0 DEABHN Cc1ncsc1-c1ccc(C(=O)NC2CCN(C)CC2)cn1 ZINC000257300709 203026362 /nfs/dbraw/zinc/02/63/62/203026362.db2.gz RVKFZRHFJOIUPJ-UHFFFAOYSA-N 0 3 316.430 2.338 40 0 DEABHN Cc1n[nH]cc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257317565 203039981 /nfs/dbraw/zinc/03/99/81/203039981.db2.gz VKHMLLMNVGOIKO-AWEZNQCLSA-N 0 3 323.404 2.073 40 0 DEABHN COCCN1CCC[C@@H](c2cc(-c3ccnn3C)nc(C)n2)C1 ZINC000257339702 203062359 /nfs/dbraw/zinc/06/23/59/203062359.db2.gz ZCVLQWFAPYLGRN-CQSZACIVSA-N 0 3 315.421 2.011 40 0 DEABHN COCCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019589216 182132236 /nfs/dbraw/zinc/13/22/36/182132236.db2.gz HDJOECWBKJJVGB-JFIYKMOQSA-N 0 3 320.408 2.251 40 0 DEABHN CCN1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000022863640 182337787 /nfs/dbraw/zinc/33/77/87/182337787.db2.gz YFJXJPMQFHEZTK-YESZJQIVSA-N 0 3 312.498 2.216 40 0 DEABHN CC(=O)N1CCN(c2ncc([C@@H](N)c3ccccc3)cc2C)CC1 ZINC000072222700 257123594 /nfs/dbraw/zinc/12/35/94/257123594.db2.gz LCYFRZLCMWZPMO-SFHVURJKSA-N 0 3 324.428 2.107 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](O)(CN)c1ccccc1 ZINC000072207997 257128145 /nfs/dbraw/zinc/12/81/45/257128145.db2.gz DBFWNSCDJLQVOI-RHSMWYFYSA-N 0 3 306.406 2.232 40 0 DEABHN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)NCC[C@@]1(C)O ZINC000514289758 257215091 /nfs/dbraw/zinc/21/50/91/257215091.db2.gz DDDKDROEUFFAKQ-OFQRWUPVSA-N 0 3 310.463 2.455 40 0 biogenic,in-vitro DEABHN COc1cccc(NC(=S)NC[C@H]2CCCN(C)C2)c1OC ZINC000009876559 401766310 /nfs/dbraw/zinc/76/63/10/401766310.db2.gz YEFZHVOUGJSOPY-GFCCVEGCSA-N 0 3 323.462 2.332 40 0 DEABHN Cc1cnc2n1CCN(C)C21CCN(Cc2ccco2)CC1 ZINC000096036992 402048390 /nfs/dbraw/zinc/04/83/90/402048390.db2.gz YQIBMYOEZHCJDC-UHFFFAOYSA-N 0 3 300.406 2.221 40 0 DEABHN Cc1cccc(CN2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@@H]3C2)c1 ZINC000096042764 402049802 /nfs/dbraw/zinc/04/98/02/402049802.db2.gz GOMWXRTUDCGHKE-CGTJXYLNSA-N 0 3 314.429 2.253 40 0 DEABHN CN(C)C(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096047210 402050529 /nfs/dbraw/zinc/05/05/29/402050529.db2.gz NYBAAQLVZUVIPI-UHFFFAOYSA-N 0 3 316.449 2.441 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 ZINC000096058253 402054476 /nfs/dbraw/zinc/05/44/76/402054476.db2.gz CXQKRVCJVDYPEC-IXDOHACOSA-N 0 3 318.417 2.033 40 0 DEABHN c1ccc(-c2nnn3c2CO[C@@H](CNCc2ccncc2)C3)cc1 ZINC000096061092 402055072 /nfs/dbraw/zinc/05/50/72/402055072.db2.gz LWZCQNLGTLNRSW-INIZCTEOSA-N 0 3 321.384 2.029 40 0 DEABHN O=C(C[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCC1CC1 ZINC000096208378 402069528 /nfs/dbraw/zinc/06/95/28/402069528.db2.gz ODAMLUYTIYJUGV-OKZBNKHCSA-N 0 3 314.429 2.192 40 0 DEABHN O=C(C1CCCCC1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096208601 402069890 /nfs/dbraw/zinc/06/98/90/402069890.db2.gz HNCFWKUSPQNWQO-DLBZAZTESA-N 0 3 306.450 2.136 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1ccccn1 ZINC000096239160 402074220 /nfs/dbraw/zinc/07/42/20/402074220.db2.gz CEENCDMXDGQWQJ-GOSISDBHSA-N 0 3 308.385 2.106 40 0 DEABHN CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CCNCC1 ZINC000064874777 402122024 /nfs/dbraw/zinc/12/20/24/402122024.db2.gz FDIMZPRFAQHSAR-UHFFFAOYSA-N 0 3 317.364 2.269 40 0 DEABHN CC(C)CN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1 ZINC000096184286 402065166 /nfs/dbraw/zinc/06/51/66/402065166.db2.gz AINPWNHTWKGBPX-DLBZAZTESA-N 0 3 322.474 2.321 40 0 DEABHN Cc1noc([C@H]2COC[C@H]3CN(Cc4scnc4C)C[C@H]32)n1 ZINC000097953530 402133593 /nfs/dbraw/zinc/13/35/93/402133593.db2.gz VUEQVVOASNQDMX-UPJWGTAASA-N 0 3 320.418 2.005 40 0 DEABHN Cc1ccc(CN2CCO[C@@H]3[C@H](COCCN(C)C)CC[C@@H]32)o1 ZINC000107747113 402239878 /nfs/dbraw/zinc/23/98/78/402239878.db2.gz AUVLPZCVMAQXIR-RYQLBKOJSA-N 0 3 322.449 2.146 40 0 DEABHN Cc1ncc(CN2CC[C@]3(CCC[C@H]3C(=O)NC(C)C)C2)cn1 ZINC000108530993 402256492 /nfs/dbraw/zinc/25/64/92/402256492.db2.gz OQPOQXVHXIXFSI-FUHWJXTLSA-N 0 3 316.449 2.302 40 0 DEABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000170678680 402513130 /nfs/dbraw/zinc/51/31/30/402513130.db2.gz UZSQBODZFADJDY-MRXNPFEDSA-N 0 3 312.417 2.491 40 0 DEABHN c1ccc([C@H]2CNCCN2Cc2ccnc(N3CCCC3)n2)cc1 ZINC000257242125 402707510 /nfs/dbraw/zinc/70/75/10/402707510.db2.gz IBETUYZNYMTIDW-GOSISDBHSA-N 0 3 323.444 2.223 40 0 DEABHN CN1CCC(Cc2ccccc2)(C(=O)NCc2ccnnc2)CC1 ZINC000257291334 402711593 /nfs/dbraw/zinc/71/15/93/402711593.db2.gz QGNJTYWYVCZDCS-UHFFFAOYSA-N 0 3 324.428 2.048 40 0 DEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C ZINC000006953157 276184435 /nfs/dbraw/zinc/18/44/35/276184435.db2.gz MXKPRAZZOWXVSW-HNNXBMFYSA-N 0 3 317.433 2.151 40 0 DEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079390971 185168016 /nfs/dbraw/zinc/16/80/16/185168016.db2.gz POTLHPIZNHELMF-ROUUACIJSA-N 0 3 317.477 2.483 40 0 DEABHN CCC[C@H](C)N1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099605 357333232 /nfs/dbraw/zinc/33/32/32/357333232.db2.gz SGKQGSAUJFFMBK-KBXCAEBGSA-N 0 3 317.433 2.003 40 0 DEABHN CC(C)N1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585105008 357333937 /nfs/dbraw/zinc/33/39/37/357333937.db2.gz XTXCMCOKJVQYED-QGZVFWFLSA-N 0 3 306.381 2.289 40 0 DEABHN Cc1ccccc1C(=O)N1C[C@@H](N(C)C)[C@H]2OCCC[C@H]2C1 ZINC000585108381 357335740 /nfs/dbraw/zinc/33/57/40/357335740.db2.gz CNRFHIQLBDZSJF-UAGQMJEPSA-N 0 3 302.418 2.176 40 0 DEABHN CNC(=O)c1sc2nccnc2c1[C@H]1CCN(CC2CC2)C1 ZINC000585182358 357340019 /nfs/dbraw/zinc/34/00/19/357340019.db2.gz DWDFGXWYMKEWCT-NSHDSACASA-N 0 3 316.430 2.250 40 0 DEABHN O[C@@]1(COc2cccc(F)c2)COCCN(C2CCCC2)C1 ZINC000585269329 357341105 /nfs/dbraw/zinc/34/11/05/357341105.db2.gz PHJMBSQVGSMRCG-QGZVFWFLSA-N 0 3 309.381 2.210 40 0 DEABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@H](O)COC(C)C)cc2c1 ZINC000585291799 357345868 /nfs/dbraw/zinc/34/58/68/357345868.db2.gz DDDFTYYSVWUPLD-INIZCTEOSA-N 0 3 318.417 2.433 40 0 DEABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc3ccccc3c2)[C@@H]1O ZINC000585292084 357345891 /nfs/dbraw/zinc/34/58/91/357345891.db2.gz WTXFRLBORXQFKO-KURKYZTESA-N 0 3 301.386 2.046 40 0 DEABHN CN1CCC[C@H](c2ncc3c(n2)CCN(Cc2ccncc2)C3)C1 ZINC000019588696 182132323 /nfs/dbraw/zinc/13/23/23/182132323.db2.gz QAWKRTQTDNDLOD-INIZCTEOSA-N 0 3 323.444 2.239 40 0 DEABHN CCN1CCN(C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000022863644 182337960 /nfs/dbraw/zinc/33/79/60/182337960.db2.gz YFJXJPMQFHEZTK-ULQDDVLXSA-N 0 3 312.498 2.216 40 0 DEABHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCOCC1 ZINC000038832729 183011674 /nfs/dbraw/zinc/01/16/74/183011674.db2.gz GHHQPNYGOUICDQ-HNNXBMFYSA-N 0 3 322.836 2.411 40 0 DEABHN O=C1CC[C@@H](NCc2ccncc2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000036740091 296325462 /nfs/dbraw/zinc/32/54/62/296325462.db2.gz BFSUBRLZRPXITQ-WBVHZDCISA-N 0 3 317.339 2.469 40 0 DEABHN CN1CCC(NC(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000157364487 197181854 /nfs/dbraw/zinc/18/18/54/197181854.db2.gz XACAHMKQQAUHDU-UHFFFAOYSA-N 0 3 302.418 2.155 40 0 DEABHN COc1cc(OC)c([C@@H](CN)N2CCC(C)CC2)c(OC)c1 ZINC000062712598 257128833 /nfs/dbraw/zinc/12/88/33/257128833.db2.gz UPDWQVLWJNOHCZ-CQSZACIVSA-N 0 3 308.422 2.444 40 0 DEABHN C[C@@]1(O)CCN[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289692 257215547 /nfs/dbraw/zinc/21/55/47/257215547.db2.gz BHMZADBTGRCRBW-YQQAZPJKSA-N 0 3 316.426 2.332 40 0 biogenic,in-vitro DEABHN CCN(CC)CCOC(=O)c1cc(OC)c(OC)cc1OC ZINC000001646543 401708911 /nfs/dbraw/zinc/70/89/11/401708911.db2.gz CFKYSBSLMFLDIA-UHFFFAOYSA-N 0 3 311.378 2.211 40 0 DEABHN COc1ccc([C@@H](O)[C@@H](NCCO)c2ccc(OC)cc2)cc1 ZINC000001668849 401709555 /nfs/dbraw/zinc/70/95/55/401709555.db2.gz PDPNQUZPEWAQHI-ZWKOTPCHSA-N 0 3 317.385 2.060 40 0 DEABHN CN(C)C(=O)[C@@H]1C[C@]2(CO1)CCCN(Cc1cccs1)C2 ZINC000096048880 402050875 /nfs/dbraw/zinc/05/08/75/402050875.db2.gz OZCJGGOLIJLVBT-GOEBONIOSA-N 0 3 308.447 2.207 40 0 DEABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC000096053922 402051522 /nfs/dbraw/zinc/05/15/22/402051522.db2.gz IJLOLRJWONVDFE-TXEJJXNPSA-N 0 3 319.455 2.409 40 0 DEABHN COc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096053995 402052659 /nfs/dbraw/zinc/05/26/59/402052659.db2.gz SSFPKVYRMINHME-HOTGVXAUSA-N 0 3 310.401 2.053 40 0 DEABHN CCOC[C@H]1CN(CC2CCOCC2)Cc2cn(CC)nc21 ZINC000096059925 402054325 /nfs/dbraw/zinc/05/43/25/402054325.db2.gz XQFQVBBLXBHYPM-MRXNPFEDSA-N 0 3 307.438 2.265 40 0 DEABHN c1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219343 402071081 /nfs/dbraw/zinc/07/10/81/402071081.db2.gz RDRFNLKMUOMENY-WMZOPIPTSA-N 0 3 310.401 2.322 40 0 DEABHN c1ccc(CN2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219416 402071345 /nfs/dbraw/zinc/07/13/45/402071345.db2.gz BLLLVAZJEIVAGU-WMZOPIPTSA-N 0 3 310.401 2.322 40 0 DEABHN c1ccc(CN2CCC3(C2)CCN(c2ncccn2)CC3)nc1 ZINC000096157681 402063570 /nfs/dbraw/zinc/06/35/70/402063570.db2.gz KMOFLFWBOMIPOY-UHFFFAOYSA-N 0 3 309.417 2.364 40 0 DEABHN CCc1cnc(N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)nc1 ZINC000096161580 402064293 /nfs/dbraw/zinc/06/42/93/402064293.db2.gz OMAUWLVDWMRKQI-IYBDPMFKSA-N 0 3 309.417 2.002 40 0 DEABHN Cc1occc1C(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1ccncc1 ZINC000096200988 402068066 /nfs/dbraw/zinc/06/80/66/402068066.db2.gz IULPBHPBMQZSIH-SJORKVTESA-N 0 3 313.401 2.370 40 0 DEABHN CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1ccncc1 ZINC000096201012 402068117 /nfs/dbraw/zinc/06/81/17/402068117.db2.gz WSPIDHGHEFANHR-SJORKVTESA-N 0 3 316.449 2.281 40 0 DEABHN CC(C)(N)C(=O)N1CCC2(CO[C@H](Cc3ccccc3)C2)CC1 ZINC000257266989 402710750 /nfs/dbraw/zinc/71/07/50/402710750.db2.gz MFKSWRHHXXINJJ-MRXNPFEDSA-N 0 3 316.445 2.364 40 0 DEABHN CCc1[nH]nc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)c1C ZINC000257204253 402702261 /nfs/dbraw/zinc/70/22/61/402702261.db2.gz ATRZQAZCWLRNGO-FRQROOTJSA-N 0 3 316.449 2.368 40 0 DEABHN Cc1c[nH]nc1[C@@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000257200510 424888969 /nfs/dbraw/zinc/88/89/69/424888969.db2.gz ADPSANIWSHOVEG-MRXNPFEDSA-N 0 3 312.417 2.409 40 0 DEABHN CN1CCC(n2ncc3c(Br)cccc3c2=O)CC1 ZINC000095097288 273872019 /nfs/dbraw/zinc/87/20/19/273872019.db2.gz DMTZLWYCTZDERR-UHFFFAOYSA-N 0 3 322.206 2.426 40 0 DEABHN O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccn1 ZINC000306144905 275031379 /nfs/dbraw/zinc/03/13/79/275031379.db2.gz ZRXGLSYBIKUZQH-ROUUACIJSA-N 0 3 322.412 2.174 40 0 DEABHN CCN(C(=O)OCc1ccccc1)C1CCN(CCO)CC1 ZINC000079411051 185170002 /nfs/dbraw/zinc/17/00/02/185170002.db2.gz WEOBRHGBSDVQLQ-UHFFFAOYSA-N 0 3 306.406 2.102 40 0 DEABHN CC(C)N(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391128 185168197 /nfs/dbraw/zinc/16/81/97/185168197.db2.gz XCNCNHFCRIYMRE-QWHCGFSZSA-N 0 3 313.442 2.018 40 0 DEABHN CC(C)N(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CN ZINC000079404266 185169224 /nfs/dbraw/zinc/16/92/24/185169224.db2.gz YNOIEABWRWTEAQ-KRWDZBQOSA-N 0 3 303.450 2.237 40 0 DEABHN CN1CCC[C@H]1c1ccnc(N2CC3(CCOCC3)OC2=O)c1 ZINC000585178791 357340139 /nfs/dbraw/zinc/34/01/39/357340139.db2.gz DZACOUUXQNDDKG-AWEZNQCLSA-N 0 3 317.389 2.354 40 0 DEABHN CN(Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)CC2CC2)C1 ZINC000257273814 203002864 /nfs/dbraw/zinc/00/28/64/203002864.db2.gz NIIHTHMHNXIFNG-SFHVURJKSA-N 0 3 320.408 2.021 40 0 DEABHN NCc1cnn(-c2ccccc2C(=O)NCc2cccs2)c1 ZINC000257288294 203013753 /nfs/dbraw/zinc/01/37/53/203013753.db2.gz PTQPAUDAUNVNET-UHFFFAOYSA-N 0 3 312.398 2.323 40 0 DEABHN Cc1cc(CC2CCN(C(=O)C3(N)CCCC3)CC2)ccn1 ZINC000257290443 203014719 /nfs/dbraw/zinc/01/47/19/203014719.db2.gz QCZCNBKLMMZYPL-UHFFFAOYSA-N 0 3 301.434 2.443 40 0 DEABHN CN1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590559 182131856 /nfs/dbraw/zinc/13/18/56/182131856.db2.gz LTHALAYGZXLVBN-QGZVFWFLSA-N 0 3 322.412 2.442 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@H]([C@](O)(CN)c2ccccc2)C1 ZINC000072208100 257128019 /nfs/dbraw/zinc/12/80/19/257128019.db2.gz QRWKUVKFTZFVNW-YJBOKZPZSA-N 0 3 320.433 2.480 40 0 DEABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000006953185 401734665 /nfs/dbraw/zinc/73/46/65/401734665.db2.gz GESQDCNOPKKQJN-LBPRGKRZSA-N 0 3 323.824 2.187 40 0 DEABHN c1csc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)n1 ZINC000096053790 402052120 /nfs/dbraw/zinc/05/21/20/402052120.db2.gz VLDMOJGVVURWNQ-ZIAGYGMSSA-N 0 3 300.431 2.102 40 0 DEABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1cccc(F)c1)CC2 ZINC000096063049 402055742 /nfs/dbraw/zinc/05/57/42/402055742.db2.gz BGKXJFLOZNDYQD-OAHLLOKOSA-N 0 3 306.381 2.151 40 0 DEABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096064983 402055923 /nfs/dbraw/zinc/05/59/23/402055923.db2.gz IHXWMLCYEYRLKV-ZWKOTPCHSA-N 0 3 319.401 2.433 40 0 DEABHN COCCC(=O)N1CC[C@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC000096071116 402056334 /nfs/dbraw/zinc/05/63/34/402056334.db2.gz HEYMHNMECJDRGE-KRWDZBQOSA-N 0 3 306.406 2.049 40 0 DEABHN Cc1nc([C@@H]2C[C@@H]3CCN(Cc4scnc4C)C[C@H]3O2)n[nH]1 ZINC000096070719 402056580 /nfs/dbraw/zinc/05/65/80/402056580.db2.gz ADROXMIBEVJDLY-RWMBFGLXSA-N 0 3 319.434 2.230 40 0 DEABHN O=C1N(c2cccnc2)CC12CCN(Cc1ccncc1)CC2 ZINC000096202951 402069101 /nfs/dbraw/zinc/06/91/01/402069101.db2.gz ZJDSPJFYXDUZGB-UHFFFAOYSA-N 0 3 308.385 2.106 40 0 DEABHN COCCN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1=O ZINC000096224039 402071933 /nfs/dbraw/zinc/07/19/33/402071933.db2.gz UXOIHGHIALBEED-GOSISDBHSA-N 0 3 320.408 2.287 40 0 DEABHN Cc1ccc(CN2CCC3(C[C@@H](NC(=O)C(C)C)CO3)CC2)o1 ZINC000096220620 402072007 /nfs/dbraw/zinc/07/20/07/402072007.db2.gz WEOLARVUKLCIJM-OAHLLOKOSA-N 0 3 320.433 2.484 40 0 DEABHN COc1ccc(S[C@H](C)C(=O)NC2CCN(C)CC2)cc1 ZINC000054148160 402063196 /nfs/dbraw/zinc/06/31/96/402063196.db2.gz RWYUNSMVKYSZII-GFCCVEGCSA-N 0 3 308.447 2.386 40 0 DEABHN COC(=O)C(=O)[C@]1(c2ccccc2)CCCC(CN(C)C)C1=O ZINC000104072526 402197269 /nfs/dbraw/zinc/19/72/69/402197269.db2.gz DIETVJGVIAPOKO-SFHVURJKSA-N 0 3 317.385 2.224 40 0 DEABHN c1c[nH]c(CN2CC[C@@H]3[C@H](CC2)OCCN3c2cccnc2)c1 ZINC000247876460 402577330 /nfs/dbraw/zinc/57/73/30/402577330.db2.gz AODWECBXTYRADR-MSOLQXFVSA-N 0 3 312.417 2.280 40 0 DEABHN COCCN1CCC[C@H](c2cncc(-c3c(C)n[nH]c3C)n2)C1 ZINC000257232301 402706493 /nfs/dbraw/zinc/70/64/93/402706493.db2.gz GKGQZQUOFIWJFF-AWEZNQCLSA-N 0 3 315.421 2.309 40 0 DEABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000257325373 402712142 /nfs/dbraw/zinc/71/21/42/402712142.db2.gz WSSCRZMDPZWPQH-INIZCTEOSA-N 0 3 315.417 2.469 40 0 DEABHN c1cncc(CO[C@H]2CSC3(CN(C4CCOCC4)C3)C2)c1 ZINC000253596831 402669499 /nfs/dbraw/zinc/66/94/99/402669499.db2.gz WJHKMXNRWZLGRM-MRXNPFEDSA-N 0 3 320.458 2.337 40 0 DEABHN COCc1cccc(CN[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 ZINC000182456023 402691309 /nfs/dbraw/zinc/69/13/09/402691309.db2.gz OCJMKJNPOYHMDZ-JKSUJKDBSA-N 0 3 311.447 2.278 40 0 DEABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079394284 185168803 /nfs/dbraw/zinc/16/88/03/185168803.db2.gz NMPUBZIIOZLDBX-SJORKVTESA-N 0 3 303.450 2.093 40 0 DEABHN CN1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253401152 186307128 /nfs/dbraw/zinc/30/71/28/186307128.db2.gz MNQMQMWLTIOVDD-OAHLLOKOSA-N 0 3 320.412 2.068 40 0 biogenic,in-vitro DEABHN COc1cccc(-c2nccnc2[C@H]2CCCN(CCO)C2)c1 ZINC000072358377 191130833 /nfs/dbraw/zinc/13/08/33/191130833.db2.gz LGLPCJAJUOEJML-HNNXBMFYSA-N 0 3 313.401 2.324 40 0 DEABHN CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)(C)C ZINC000038274848 354167567 /nfs/dbraw/zinc/16/75/67/354167567.db2.gz LWKWBMKMTOYVDA-XMNZZIDVSA-N 0 3 312.454 2.352 40 0 DEABHN Cc1nccn1CC1(O)CCN(Cc2ccccc2F)CC1 ZINC000019288001 182112659 /nfs/dbraw/zinc/11/26/59/182112659.db2.gz WWURIBMAVPBOIL-UHFFFAOYSA-N 0 3 303.381 2.358 40 0 DEABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000019575945 182131434 /nfs/dbraw/zinc/13/14/34/182131434.db2.gz CWRPDHISSPOZMD-TUKIKUTGSA-N 0 3 314.351 2.345 40 0 DEABHN Cc1c(CN2CCC[C@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019746711 182142279 /nfs/dbraw/zinc/14/22/79/182142279.db2.gz OGCJNGYKRXIVSZ-SFHVURJKSA-N 0 3 318.465 2.389 40 0 DEABHN CN(CCN1CCCCC1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000022916164 182341286 /nfs/dbraw/zinc/34/12/86/182341286.db2.gz STTNLKPRPHQFDP-KRWDZBQOSA-N 0 3 306.454 2.500 40 0 DEABHN CNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540615 401741756 /nfs/dbraw/zinc/74/17/56/401741756.db2.gz IPQYCHFHONEMFQ-UHFFFAOYSA-N 0 3 303.314 2.239 40 0 DEABHN O=C(C1CCCC1)N1CCN(Cc2ccccc2)CCC1=O ZINC000072343223 401709275 /nfs/dbraw/zinc/70/92/75/401709275.db2.gz NDURWDRGZGABLX-UHFFFAOYSA-N 0 3 300.402 2.438 40 0 DEABHN Cc1ccsc1[C@@H]1NC(=N)Nc2nc(=O)c3ccccc3n21 ZINC000039921219 401924663 /nfs/dbraw/zinc/92/46/63/401924663.db2.gz LXPXRGHYGXPYPW-GFCCVEGCSA-N 0 3 311.370 2.054 40 0 DEABHN O=C1[C@@H]2CCN(CC3CC3)C[C@@H]2OCCN1c1ccsc1 ZINC000096107145 402059015 /nfs/dbraw/zinc/05/90/15/402059015.db2.gz QLLQLDSDLFCBQG-CABCVRRESA-N 0 3 306.431 2.212 40 0 DEABHN CC(C)OC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096040501 402049024 /nfs/dbraw/zinc/04/90/24/402049024.db2.gz NCVIWKLYIGJRTJ-DLBZAZTESA-N 0 3 307.438 2.216 40 0 DEABHN Cc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 ZINC000096043165 402049845 /nfs/dbraw/zinc/04/98/45/402049845.db2.gz NEVOQVPCNHNNTH-UAGQMJEPSA-N 0 3 302.418 2.063 40 0 DEABHN O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096057654 402053136 /nfs/dbraw/zinc/05/31/36/402053136.db2.gz SAZUWVJRWRERAJ-NILFDRSVSA-N 0 3 306.431 2.006 40 0 DEABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cccs3)CC2)O1 ZINC000096061120 402054864 /nfs/dbraw/zinc/05/48/64/402054864.db2.gz UAUXTIXIFPNDSU-AWEZNQCLSA-N 0 3 308.447 2.350 40 0 DEABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)O1 ZINC000096061124 402054968 /nfs/dbraw/zinc/05/49/68/402054968.db2.gz OKKXLPVREXMJCF-AWEZNQCLSA-N 0 3 308.447 2.350 40 0 DEABHN c1cc(CNC[C@H]2Cn3nnc(-c4ccsc4)c3CO2)co1 ZINC000096061029 402055068 /nfs/dbraw/zinc/05/50/68/402055068.db2.gz ICHUKBQSXLLPHY-ZDUSSCGKSA-N 0 3 316.386 2.288 40 0 DEABHN COC[C@H]1CN(CC2CC2)Cc2cnn(CC3CCOCC3)c21 ZINC000096068357 402056553 /nfs/dbraw/zinc/05/65/53/402056553.db2.gz DIQAQOSMRVIJAI-QGZVFWFLSA-N 0 3 319.449 2.265 40 0 DEABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCC1CC1 ZINC000096209844 402070623 /nfs/dbraw/zinc/07/06/23/402070623.db2.gz ODAMLUYTIYJUGV-RCCFBDPRSA-N 0 3 314.429 2.192 40 0 DEABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1cccnc1 ZINC000096245190 402074291 /nfs/dbraw/zinc/07/42/91/402074291.db2.gz NKAKCNHTGBSJTJ-YOEHRIQHSA-N 0 3 311.360 2.316 40 0 DEABHN Cc1noc(C)c1CN1CC[C@H]2OCCN(CC3CC3)[C@H]2CC1 ZINC000096249309 402074576 /nfs/dbraw/zinc/07/45/76/402074576.db2.gz YWJTZULSFFEVBM-ZWKOTPCHSA-N 0 3 319.449 2.367 40 0 DEABHN c1c[nH]c(CN2CC[C@H]3OCCN(c4cccnc4)[C@@H]3CC2)c1 ZINC000096249424 402074891 /nfs/dbraw/zinc/07/48/91/402074891.db2.gz AODWECBXTYRADR-QZTJIDSGSA-N 0 3 312.417 2.280 40 0 DEABHN O=C(NC1CC2(C1)CCN(Cc1ccncc1)C2)c1ccncc1 ZINC000108525819 402255453 /nfs/dbraw/zinc/25/54/53/402255453.db2.gz CYJVQYUOLXRMHV-UHFFFAOYSA-N 0 3 322.412 2.261 40 0 DEABHN O=C(NC1CC2(C1)CCN(Cc1cccnc1)C2)c1ccncc1 ZINC000108528849 402255494 /nfs/dbraw/zinc/25/54/94/402255494.db2.gz GIVZUBYXRYOFQJ-UHFFFAOYSA-N 0 3 322.412 2.261 40 0 DEABHN CCCN1CCN(C(=O)c2cc([C@H]3CCCN3C)ccn2)CC1 ZINC000257257202 402709390 /nfs/dbraw/zinc/70/93/90/402709390.db2.gz KONCCMSVUMRTNG-QGZVFWFLSA-N 0 3 316.449 2.016 40 0 DEABHN CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(Cc3cnc[nH]3)CC[C@H]21 ZINC000257267956 402710949 /nfs/dbraw/zinc/71/09/49/402710949.db2.gz MJQNXZLTRQPXRF-GUDVDZBRSA-N 0 3 324.428 2.246 40 0 DEABHN COCCN1CCC(c2cc(-c3cc(C)[nH]n3)nc(C)n2)CC1 ZINC000257269744 402711311 /nfs/dbraw/zinc/71/13/11/402711311.db2.gz MRFDBUAAOFLCHO-UHFFFAOYSA-N 0 3 315.421 2.309 40 0 DEABHN c1ccc(CN2CCC3(C[C@H](Cc4cnccn4)CO3)CC2)nc1 ZINC000257209012 402702960 /nfs/dbraw/zinc/70/29/60/402702960.db2.gz BOPUMAFQTUGDBM-INIZCTEOSA-N 0 3 324.428 2.485 40 0 DEABHN CN([C@H]1CCCNC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000079440502 185171766 /nfs/dbraw/zinc/17/17/66/185171766.db2.gz WWJKPNOZHODGLN-JTQLQIEISA-N 0 3 323.245 2.366 40 0 DEABHN Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CN)n2)n1 ZINC000072382973 191142552 /nfs/dbraw/zinc/14/25/52/191142552.db2.gz AUGLQYRMLZXOJJ-GFCCVEGCSA-N 0 3 317.418 2.212 40 0 DEABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000072849916 191238346 /nfs/dbraw/zinc/23/83/46/191238346.db2.gz KJSAIAVIDVDHPZ-CYBMUJFWSA-N 0 3 317.433 2.495 40 0 DEABHN CCN(CC)c1ncc(CN2CCC[C@@](C)(C(=O)NC)C2)s1 ZINC000072346333 354900662 /nfs/dbraw/zinc/90/06/62/354900662.db2.gz WUIVUMIELNBDEZ-MRXNPFEDSA-N 0 3 324.494 2.337 40 0 DEABHN CCC[C@H](C)N1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099607 357332934 /nfs/dbraw/zinc/33/29/34/357332934.db2.gz SGKQGSAUJFFMBK-KSSFIOAISA-N 0 3 317.433 2.003 40 0 DEABHN Cc1noc(C)c1-c1cc(C2CCN(C(=O)CN)CC2)ccn1 ZINC000257304453 203029520 /nfs/dbraw/zinc/02/95/20/203029520.db2.gz SLSKJDHGFSXNSK-UHFFFAOYSA-N 0 3 314.389 2.018 40 0 DEABHN CCN1C(=O)CC[C@@H]2N(Cc3cnn(C)c3)CCCC[C@@]21C ZINC000257294517 203019407 /nfs/dbraw/zinc/01/94/07/203019407.db2.gz QUNNNDYLOMGSDI-RDJZCZTQSA-N 0 3 304.438 2.176 40 0 DEABHN O=C(c1cccs1)N1C[C@@H](N2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000096040601 284721658 /nfs/dbraw/zinc/72/16/58/284721658.db2.gz UCRMPNUFSAWITF-LZWOXQAQSA-N 0 3 320.458 2.464 40 0 DEABHN COc1cccc(OC)c1OC[C@H](O)CN1CCC(C)CC1 ZINC000001469941 401707770 /nfs/dbraw/zinc/70/77/70/401707770.db2.gz JTVSWQOBWROFQU-CQSZACIVSA-N 0 3 309.406 2.175 40 0 DEABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC3CC3)cc12 ZINC000012325242 401782947 /nfs/dbraw/zinc/78/29/47/401782947.db2.gz SAAAJGVHGAFDPD-UHFFFAOYSA-N 0 3 312.348 2.413 40 0 DEABHN COc1ccc(CSCC(=O)NC2CCN(C)CC2)cc1 ZINC000113933098 401788324 /nfs/dbraw/zinc/78/83/24/401788324.db2.gz CBAOVVQAUQFMNU-UHFFFAOYSA-N 0 3 308.447 2.139 40 0 DEABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 ZINC000019129361 401821688 /nfs/dbraw/zinc/82/16/88/401821688.db2.gz YTULZVIRZWXXJO-OAHLLOKOSA-N 0 3 322.416 2.395 40 0 DEABHN COc1ccc(OC)c(NC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000027932340 401848825 /nfs/dbraw/zinc/84/88/25/401848825.db2.gz QFIWEWCTDNJTFH-LBPRGKRZSA-N 0 3 305.378 2.016 40 0 DEABHN Cn1cc(CN2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110650 402060552 /nfs/dbraw/zinc/06/05/52/402060552.db2.gz VKKQHANJDGATJF-IRXDYDNUSA-N 0 3 314.408 2.123 40 0 DEABHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 ZINC000096043413 402049368 /nfs/dbraw/zinc/04/93/68/402049368.db2.gz LFOHHCKXTZMQFE-BRWVUGGUSA-N 0 3 302.418 2.002 40 0 DEABHN COCCN1C(=O)CC[C@]12CCCN(Cc1ccoc1)CC2 ZINC000096047515 402050483 /nfs/dbraw/zinc/05/04/83/402050483.db2.gz BDCKEEBAIICEMO-KRWDZBQOSA-N 0 3 306.406 2.273 40 0 DEABHN Cn1cc([C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)cn1 ZINC000096047804 402050721 /nfs/dbraw/zinc/05/07/21/402050721.db2.gz LSUOYHLRAFISSO-MRXNPFEDSA-N 0 3 312.417 2.354 40 0 DEABHN CC(C)N1CCOC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 ZINC000096049729 402050802 /nfs/dbraw/zinc/05/08/02/402050802.db2.gz GRZLBLUZBKNOER-SFHVURJKSA-N 0 3 322.424 2.137 40 0 DEABHN c1cc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047714 402051281 /nfs/dbraw/zinc/05/12/81/402051281.db2.gz PABDGCHCXFCCED-ZBFHGGJFSA-N 0 3 316.430 2.384 40 0 DEABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccco2)CC12CCOCC2 ZINC000096052087 402051964 /nfs/dbraw/zinc/05/19/64/402051964.db2.gz XDSCZTZCHGMHAP-HNNXBMFYSA-N 0 3 306.406 2.033 40 0 DEABHN CCOc1ncnc2c1CCN(Cc1ccc(OC)cc1)CC2 ZINC000096058760 402054047 /nfs/dbraw/zinc/05/40/47/402054047.db2.gz GNKOEPHNQHXQBL-UHFFFAOYSA-N 0 3 313.401 2.485 40 0 DEABHN Cc1ccc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)o1 ZINC000096058638 402054064 /nfs/dbraw/zinc/05/40/64/402054064.db2.gz DFIBGSSMTMMWMC-AWEZNQCLSA-N 0 3 313.401 2.483 40 0 DEABHN O=C([C@@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCC1 ZINC000096061221 402055065 /nfs/dbraw/zinc/05/50/65/402055065.db2.gz KQAUZWPGFLSHFW-INIZCTEOSA-N 0 3 318.417 2.416 40 0 DEABHN COC[C@@H]1C(=O)NCC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000096208341 402069341 /nfs/dbraw/zinc/06/93/41/402069341.db2.gz SKZDXPPRXBWRQQ-OAHLLOKOSA-N 0 3 322.836 2.315 40 0 DEABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)o1 ZINC000096245496 402074133 /nfs/dbraw/zinc/07/41/33/402074133.db2.gz XCABEXJAPJJINF-BETUJISGSA-N 0 3 317.414 2.249 40 0 DEABHN c1nc(NCC2CC2)nc2c1COC[C@]21CCN(CC2CC2)C1 ZINC000096244110 402074259 /nfs/dbraw/zinc/07/42/59/402074259.db2.gz ZXCJMFALJJLKSC-GOSISDBHSA-N 0 3 314.433 2.182 40 0 DEABHN Cn1c2cc(C(=O)NCCN3CCCC3)n(C)c2c2ccccc21 ZINC000096264154 402076105 /nfs/dbraw/zinc/07/61/05/402076105.db2.gz LDXCCEFBFYHGBQ-UHFFFAOYSA-N 0 3 324.428 2.496 40 0 DEABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccc3c(c2)OCO3)N1CC1CC1 ZINC000096183915 402065113 /nfs/dbraw/zinc/06/51/13/402065113.db2.gz BLVSXCMKVORHCY-CABCVRRESA-N 0 3 314.385 2.001 40 0 DEABHN O=C1CCCN1[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@H]12 ZINC000097953440 402133512 /nfs/dbraw/zinc/13/35/12/402133512.db2.gz ABDFZPVPBBTFBM-SCTDSRPQSA-N 0 3 314.429 2.288 40 0 DEABHN COc1ccc([C@H]2[C@H](N)[C@@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000169619929 402501724 /nfs/dbraw/zinc/50/17/24/402501724.db2.gz QAKWCDKFQTULHZ-ZACQAIPSSA-N 0 3 321.384 2.370 40 0 DEABHN c1ccc(CN2CCC3(C[C@@H](Cc4cnccn4)CO3)CC2)nc1 ZINC000257209013 402703373 /nfs/dbraw/zinc/70/33/73/402703373.db2.gz BOPUMAFQTUGDBM-MRXNPFEDSA-N 0 3 324.428 2.485 40 0 DEABHN CN1Cc2ccccc2CC2(CCN([C@@H]3CCOC3)CC2)C1=O ZINC000096161316 276989096 /nfs/dbraw/zinc/98/90/96/276989096.db2.gz HBJGSGGBYWGABK-QGZVFWFLSA-N 0 3 314.429 2.072 40 0 DEABHN Clc1ccc2oc(-c3cnc(N4CCNCC4)nc3)nc2c1 ZINC000003031004 279294420 /nfs/dbraw/zinc/29/44/20/279294420.db2.gz KIRDXCDFTNVWRS-UHFFFAOYSA-N 0 3 315.764 2.348 40 0 DEABHN COc1ccc2c3c1O[C@H]1[C@@H](OC)CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000034643615 295278611 /nfs/dbraw/zinc/27/86/11/295278611.db2.gz PIILEVDVSADGMN-UVDFWXMISA-N 0 3 313.397 2.299 40 0 biogenic,in-vitro DEABHN Cc1c[nH]nc1C1(C)CCN(C(=O)[C@H]2CCCN2C(C)C)CC1 ZINC000072388938 191148617 /nfs/dbraw/zinc/14/86/17/191148617.db2.gz RWCUMUSZBWDYIK-OAHLLOKOSA-N 0 3 318.465 2.471 40 0 DEABHN COc1ccc(CCCNC(=O)C2CCN(C)CC2)cc1OC ZINC000073082063 191277174 /nfs/dbraw/zinc/27/71/74/191277174.db2.gz CYPYQOMLYQLOBO-UHFFFAOYSA-N 0 3 320.433 2.094 40 0 DEABHN COCCN1CCC[C@@H](c2cc(-c3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257305908 203029124 /nfs/dbraw/zinc/02/91/24/203029124.db2.gz SSAUGYCWUYFIOF-CQSZACIVSA-N 0 3 315.421 2.309 40 0 DEABHN CN1C(=O)CO[C@H]2CCN(Cc3ccccc3Cl)CC[C@@H]21 ZINC000257309110 203033739 /nfs/dbraw/zinc/03/37/39/203033739.db2.gz TZOLIHYNYATXPW-GJZGRUSLSA-N 0 3 308.809 2.162 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1cccs1 ZINC000019286376 182112688 /nfs/dbraw/zinc/11/26/88/182112688.db2.gz TYXOECIHPVJNOM-NEPJUHHUSA-N 0 3 301.415 2.272 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1cccs1 ZINC000019286376 182112689 /nfs/dbraw/zinc/11/26/89/182112689.db2.gz TYXOECIHPVJNOM-NEPJUHHUSA-N 0 3 301.415 2.272 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccsc1 ZINC000019286379 182112856 /nfs/dbraw/zinc/11/28/56/182112856.db2.gz MLAIKGLLMAIEMZ-OLZOCXBDSA-N 0 3 301.415 2.272 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccsc1 ZINC000019286379 182112858 /nfs/dbraw/zinc/11/28/58/182112858.db2.gz MLAIKGLLMAIEMZ-OLZOCXBDSA-N 0 3 301.415 2.272 40 0 DEABHN O=C(CC1CCCC1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292342 182113891 /nfs/dbraw/zinc/11/38/91/182113891.db2.gz QUVVBGFQLNKFON-MRXNPFEDSA-N 0 3 314.433 2.366 40 0 DEABHN CCc1c(C)nc([C@H]2CCCN(Cc3ccncc3)C2)[nH]c1=O ZINC000019521561 182127314 /nfs/dbraw/zinc/12/73/14/182127314.db2.gz ZCXZKLYAULXOON-HNNXBMFYSA-N 0 3 312.417 2.415 40 0 DEABHN Cc1nn(C)cc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 ZINC000019583744 182132269 /nfs/dbraw/zinc/13/22/69/182132269.db2.gz YYRGCSQCMRMMDT-CQSZACIVSA-N 0 3 324.388 2.163 40 0 DEABHN CN1CCN(CCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000022934736 182341751 /nfs/dbraw/zinc/34/17/51/182341751.db2.gz SMTRFSDEYIGPAP-VMPITWQZSA-N 0 3 321.852 2.107 40 0 DEABHN CC(C)[C@@H](CN1CC[C@H](O)C1)N(C)C(=O)OCc1ccccc1 ZINC000044137875 183396503 /nfs/dbraw/zinc/39/65/03/183396503.db2.gz SBHVTOCGTFLEIN-DLBZAZTESA-N 0 3 320.433 2.346 40 0 DEABHN COC(=O)c1ccc(C)c(NC(=S)NC2CCN(C)CC2)c1 ZINC000063143316 184273791 /nfs/dbraw/zinc/27/37/91/184273791.db2.gz SSDOTCQBUDRRHI-UHFFFAOYSA-N 0 3 321.446 2.162 40 0 DEABHN CN(CCOc1ccccc1O)CCOc1ccccc1O ZINC000001564838 401708510 /nfs/dbraw/zinc/70/85/10/401708510.db2.gz PVITVWWZYOYYQJ-UHFFFAOYSA-N 0 3 303.358 2.487 40 0 DEABHN O=C(Cn1cccn1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC000036752336 401907839 /nfs/dbraw/zinc/90/78/39/401907839.db2.gz WDAMDHWUZOZIDS-KRWDZBQOSA-N 0 3 312.417 2.227 40 0 DEABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccco1)CC2 ZINC000096047510 402050085 /nfs/dbraw/zinc/05/00/85/402050085.db2.gz KZLBLBSCYWAAPS-QGZVFWFLSA-N 0 3 306.406 2.273 40 0 DEABHN c1cc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)co1 ZINC000096061028 402054805 /nfs/dbraw/zinc/05/48/05/402054805.db2.gz ICHUKBQSXLLPHY-CYBMUJFWSA-N 0 3 316.386 2.288 40 0 DEABHN c1cc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)co1 ZINC000096061072 402055121 /nfs/dbraw/zinc/05/51/21/402055121.db2.gz KIIOVRQHWRNRNQ-HNNXBMFYSA-N 0 3 310.357 2.227 40 0 DEABHN c1cc(CN2C[C@@H]3COC[C@]3(COCc3ccncc3)C2)co1 ZINC000096208542 402069677 /nfs/dbraw/zinc/06/96/77/402069677.db2.gz WKGCQJPNKHJEDQ-QZTJIDSGSA-N 0 3 314.385 2.340 40 0 DEABHN c1cc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)co1 ZINC000096208765 402069778 /nfs/dbraw/zinc/06/97/78/402069778.db2.gz OGDULUJIVFHWEV-QZTJIDSGSA-N 0 3 314.385 2.340 40 0 DEABHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(CCO)CC2 ZINC000096244758 402073977 /nfs/dbraw/zinc/07/39/77/402073977.db2.gz VBEVTIKTNCLADU-QGZVFWFLSA-N 0 3 314.429 2.054 40 0 DEABHN c1cncc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 ZINC000096205870 402068691 /nfs/dbraw/zinc/06/86/91/402068691.db2.gz NYYYDULJDUSPFK-QZTJIDSGSA-N 0 3 302.418 2.347 40 0 DEABHN Cc1cc(N2CCc3ccccc3C2)nc(NCCN(C)C)n1 ZINC000244075188 402447024 /nfs/dbraw/zinc/44/70/24/402447024.db2.gz UBTCRACUYFYUAE-UHFFFAOYSA-N 0 3 311.433 2.321 40 0 DEABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CC3CC3)CCO2)n1 ZINC000257257906 402709250 /nfs/dbraw/zinc/70/92/50/402709250.db2.gz KROZEFGQKFWUGN-INIZCTEOSA-N 0 3 303.406 2.156 40 0 DEABHN c1ncc(CN2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)s1 ZINC000257261252 402709866 /nfs/dbraw/zinc/70/98/66/402709866.db2.gz LGJSXWWBOYNFPH-KWCYVHTRSA-N 0 3 301.419 2.256 40 0 DEABHN CNC(=O)c1cccc([C@H]2CN(C3CCCC3)CCN2C)c1 ZINC000257271453 402711106 /nfs/dbraw/zinc/71/11/06/402711106.db2.gz MYKAHYLZBDJYCB-QGZVFWFLSA-N 0 3 301.434 2.277 40 0 DEABHN CCN1CCC[C@@H]1CN(Cc1nccn1C)Cc1ccccn1 ZINC000019527181 276371268 /nfs/dbraw/zinc/37/12/68/276371268.db2.gz ARUMENPLZYFSKN-QGZVFWFLSA-N 0 3 313.449 2.302 40 0 DEABHN COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(C)CC2)c1 ZINC000074713399 185011702 /nfs/dbraw/zinc/01/17/02/185011702.db2.gz HLHHYXTZVDFZGM-UHFFFAOYSA-N 0 3 310.781 2.407 40 0 DEABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000079404622 185169508 /nfs/dbraw/zinc/16/95/08/185169508.db2.gz ZKMFFZAVIGRELK-IRXDYDNUSA-N 0 3 303.450 2.141 40 0 DEABHN Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cnco3)CC2)n1 ZINC000072368348 191137923 /nfs/dbraw/zinc/13/79/23/191137923.db2.gz CGKNUYDZZGPYDW-UHFFFAOYSA-N 0 3 314.389 2.464 40 0 DEABHN CN1CCC(CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000074920959 191388640 /nfs/dbraw/zinc/38/86/40/191388640.db2.gz KMQFDCRYWVDOFK-UHFFFAOYSA-N 0 3 319.424 2.206 40 0 DEABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2cccc(F)c2)C1 ZINC000101039018 355708708 /nfs/dbraw/zinc/70/87/08/355708708.db2.gz VRYSCJWEGYNXBY-LSDHHAIUSA-N 0 3 323.412 2.425 40 0 DEABHN COCCN1CC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101737 357333114 /nfs/dbraw/zinc/33/31/14/357333114.db2.gz CTQQNJMKFQGFIK-LJQANCHMSA-N 0 3 316.445 2.333 40 0 DEABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@@H]1OC ZINC000585290571 357345173 /nfs/dbraw/zinc/34/51/73/357345173.db2.gz FMODHGBIRAUPTE-KURKYZTESA-N 0 3 316.401 2.095 40 0 DEABHN NCC(=O)N1CCC2(CO[C@H](Cc3ccc(Cl)cc3)C2)CC1 ZINC000257322623 203047342 /nfs/dbraw/zinc/04/73/42/203047342.db2.gz WGSHMEHIQQJDOO-OAHLLOKOSA-N 0 3 322.836 2.239 40 0 DEABHN O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019292319 182113764 /nfs/dbraw/zinc/11/37/64/182113764.db2.gz IPIOYJZHPVQVNK-MRXNPFEDSA-N 0 3 314.433 2.366 40 0 DEABHN Cc1cc(-c2cc3nc(C)c(C)c(NCCN(C)C)n3n2)no1 ZINC000019119585 182105370 /nfs/dbraw/zinc/10/53/70/182105370.db2.gz RKWYLLQARLLDSW-UHFFFAOYSA-N 0 3 314.393 2.283 40 0 DEABHN COc1cccc([C@H](N)c2nc(CNc3ccccc3)n[nH]2)c1 ZINC000095533542 257138096 /nfs/dbraw/zinc/13/80/96/257138096.db2.gz QSYSUZYJTNTAJH-INIZCTEOSA-N 0 3 309.373 2.474 40 0 DEABHN CC(C)n1cc2c(n1)nc(N1CCNCC1)cc2C(F)(F)F ZINC000012398905 401785077 /nfs/dbraw/zinc/78/50/77/401785077.db2.gz HIWIFZKHVMEJQV-UHFFFAOYSA-N 0 3 313.327 2.441 40 0 DEABHN CC(=O)Nc1ccc(CN2CC[C@H](c3nnc(C)o3)C2)cc1 ZINC000049169255 402013295 /nfs/dbraw/zinc/01/32/95/402013295.db2.gz NTNWCDWNIPWASS-AWEZNQCLSA-N 0 3 300.362 2.326 40 0 biogenic,in-vitro DEABHN Cn1cc([C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)cn1 ZINC000096047805 402050966 /nfs/dbraw/zinc/05/09/66/402050966.db2.gz LSUOYHLRAFISSO-INIZCTEOSA-N 0 3 312.417 2.354 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096064887 402055847 /nfs/dbraw/zinc/05/58/47/402055847.db2.gz NTVDCPRPZOCPAV-ARFHVFGLSA-N 0 3 320.458 2.111 40 0 DEABHN c1cc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)co1 ZINC000096208820 402069842 /nfs/dbraw/zinc/06/98/42/402069842.db2.gz ZKWPMVMJCYSGIL-AEFFLSMTSA-N 0 3 314.385 2.340 40 0 DEABHN COCCN1CCC2(C[C@H](Nc3cccc(OC)c3)CO2)CC1 ZINC000096221501 402071856 /nfs/dbraw/zinc/07/18/56/402071856.db2.gz YNTMZGIFJSRJES-INIZCTEOSA-N 0 3 320.433 2.377 40 0 DEABHN Cc1nc(N2CCCC2)nc2c1CCN(Cc1cccnc1)CC2 ZINC000096254540 402074512 /nfs/dbraw/zinc/07/45/12/402074512.db2.gz QCMFWAOYUZFDBX-UHFFFAOYSA-N 0 3 323.444 2.381 40 0 DEABHN O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000096184422 402065278 /nfs/dbraw/zinc/06/52/78/402065278.db2.gz CPDHBGOWOVJXSR-JKSUJKDBSA-N 0 3 324.421 2.073 40 0 DEABHN Cc1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)oc1C ZINC000096184628 402065545 /nfs/dbraw/zinc/06/55/45/402065545.db2.gz KIKDPQLBLKFSNG-ZWKOTPCHSA-N 0 3 314.433 2.479 40 0 DEABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)C3CCCC3)C2)c1 ZINC000257258371 402709327 /nfs/dbraw/zinc/70/93/27/402709327.db2.gz KTOQFHDYEFSLAF-ZDUSSCGKSA-N 0 3 323.462 2.493 40 0 DEABHN Cc1c[nH]nc1[C@H]1CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000257204919 402702335 /nfs/dbraw/zinc/70/23/35/402702335.db2.gz AWWHZGYIDLUQMZ-AWEZNQCLSA-N 0 3 312.421 2.098 40 0 DEABHN CCN1CCC[C@H](NC(=O)N2CCOc3ccc(F)cc3C2)C1 ZINC000494393637 405687913 /nfs/dbraw/zinc/68/79/13/405687913.db2.gz PKDCNZXIWVVJFB-HNNXBMFYSA-N 0 3 321.396 2.214 40 0 DEABHN CC(C)[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333760893 268989167 /nfs/dbraw/zinc/98/91/67/268989167.db2.gz AKWZMVZCCUQGGV-TWMKSMIVSA-N 0 3 320.408 2.140 40 0 DEABHN Cc1noc(C)c1CN1CC[C@H]2OCCN(CC3CC3)[C@@H]2CC1 ZINC000096249308 282384558 /nfs/dbraw/zinc/38/45/58/282384558.db2.gz YWJTZULSFFEVBM-QZTJIDSGSA-N 0 3 319.449 2.367 40 0 DEABHN COc1cccc(-c2nccnc2[C@@H]2CCCN(CCO)C2)c1 ZINC000072358376 191130533 /nfs/dbraw/zinc/13/05/33/191130533.db2.gz LGLPCJAJUOEJML-OAHLLOKOSA-N 0 3 313.401 2.324 40 0 DEABHN COCCN1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072367898 191137858 /nfs/dbraw/zinc/13/78/58/191137858.db2.gz HUUZOPPXFGLXMY-HNNXBMFYSA-N 0 3 313.405 2.441 40 0 DEABHN CN1CCC[C@@H](c2cncc(C(=O)NCCc3ccccc3)n2)C1 ZINC000072387118 191145616 /nfs/dbraw/zinc/14/56/16/191145616.db2.gz FIQHVJXGGYTPKV-MRXNPFEDSA-N 0 3 324.428 2.258 40 0 DEABHN CC(C)(C)OC(=O)N1CCC(Oc2cccc(NN)n2)CC1 ZINC000039957374 354169787 /nfs/dbraw/zinc/16/97/87/354169787.db2.gz JVSPGPLSEYETNW-UHFFFAOYSA-N 0 3 308.382 2.146 40 0 DEABHN Cc1ccc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cn1 ZINC000585294760 357345594 /nfs/dbraw/zinc/34/55/94/357345594.db2.gz JMAVIBPTTOFHAU-GUDVDZBRSA-N 0 3 312.413 2.020 40 0 DEABHN CN1CCCN(Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 ZINC000257314489 203039341 /nfs/dbraw/zinc/03/93/41/203039341.db2.gz UXFSGUGFTHWDPD-KRWDZBQOSA-N 0 3 304.438 2.030 40 0 DEABHN Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 ZINC000257317331 203040890 /nfs/dbraw/zinc/04/08/90/203040890.db2.gz VJIKCMKSAFWUTK-MRXNPFEDSA-N 0 3 312.417 2.409 40 0 DEABHN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3ccncc3)C[C@H]12 ZINC000257341422 203062632 /nfs/dbraw/zinc/06/26/32/203062632.db2.gz ZKFDWAJXYQPQLQ-IXDOHACOSA-N 0 3 309.417 2.218 40 0 DEABHN O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019292318 182113715 /nfs/dbraw/zinc/11/37/15/182113715.db2.gz IPIOYJZHPVQVNK-INIZCTEOSA-N 0 3 314.433 2.366 40 0 DEABHN Cc1cc2c(s1)c1cnn(CCN3CCCC3)c(=O)c1n2C ZINC000012113542 401779349 /nfs/dbraw/zinc/77/93/49/401779349.db2.gz SXWQBFNDEUBJFM-UHFFFAOYSA-N 0 3 316.430 2.354 40 0 DEABHN CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CCN(C)CC1 ZINC000113951430 401788632 /nfs/dbraw/zinc/78/86/32/401788632.db2.gz JKRYROOSRWQEIH-INIZCTEOSA-N 0 3 306.406 2.063 40 0 DEABHN COc1cccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1OC ZINC000046882614 401974628 /nfs/dbraw/zinc/97/46/28/401974628.db2.gz IVLABNYEXCOFJT-KBPBESRZSA-N 0 3 320.433 2.412 40 0 DEABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054631 402052526 /nfs/dbraw/zinc/05/25/26/402052526.db2.gz KXVRCCDITZPYBK-IRXDYDNUSA-N 0 3 311.385 2.155 40 0 DEABHN Cc1ccc(CN2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)s1 ZINC000096057660 402053267 /nfs/dbraw/zinc/05/32/67/402053267.db2.gz QCXLXHKJXVSOGM-APHBMKBZSA-N 0 3 320.458 2.315 40 0 DEABHN O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1)N1CCCC1 ZINC000096057603 402053285 /nfs/dbraw/zinc/05/32/85/402053285.db2.gz DOBJOPKMQYKKPZ-ARFHVFGLSA-N 0 3 320.458 2.350 40 0 DEABHN O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 ZINC000096058282 402054461 /nfs/dbraw/zinc/05/44/61/402054461.db2.gz NSEOJXIVYNSXHM-OWCLPIDISA-N 0 3 320.458 2.254 40 0 DEABHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(CCO)CC2 ZINC000096244759 402073897 /nfs/dbraw/zinc/07/38/97/402073897.db2.gz VBEVTIKTNCLADU-KRWDZBQOSA-N 0 3 314.429 2.054 40 0 DEABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096158627 402063338 /nfs/dbraw/zinc/06/33/38/402063338.db2.gz SUUHEBCYMKSFJN-OAHLLOKOSA-N 0 3 306.381 2.151 40 0 DEABHN c1csc(CN2CC[C@@]3(C2)COCCN([C@@H]2CCOC2)C3)c1 ZINC000096202182 402068734 /nfs/dbraw/zinc/06/87/34/402068734.db2.gz XGZSTFVDFDCHJZ-WBVHZDCISA-N 0 3 322.474 2.061 40 0 DEABHN c1csc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 ZINC000107786043 402240318 /nfs/dbraw/zinc/24/03/18/402240318.db2.gz HGXPZIRZDGMRHM-CJNGLKHVSA-N 0 3 316.430 2.384 40 0 DEABHN Cc1ccc(C(=O)N2Cc3cncn3[C@H](CN3CCCC3)C2)o1 ZINC000247901625 402577996 /nfs/dbraw/zinc/57/79/96/402577996.db2.gz IVZAHLZKYHATDR-OAHLLOKOSA-N 0 3 314.389 2.077 40 0 DEABHN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cncs3)C[C@H]12 ZINC000257223881 402705195 /nfs/dbraw/zinc/70/51/95/402705195.db2.gz DZIITJYNTFXFBP-VHDGCEQUSA-N 0 3 315.446 2.280 40 0 DEABHN NCc1cn(-c2ccccc2C(=O)NCc2ccc(F)cc2)cn1 ZINC000257234920 402706884 /nfs/dbraw/zinc/70/68/84/402706884.db2.gz GVPOMRANKZWXQC-UHFFFAOYSA-N 0 3 324.359 2.400 40 0 DEABHN CN1CCCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000272516311 402947069 /nfs/dbraw/zinc/94/70/69/402947069.db2.gz NCVVFLFICXEPCH-OAHLLOKOSA-N 0 3 321.396 2.387 40 0 DEABHN CNc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C)n1 ZINC000328972689 404186379 /nfs/dbraw/zinc/18/63/79/404186379.db2.gz DXXMSGRSJWYWOM-UHFFFAOYSA-N 0 3 312.373 2.176 40 0 DEABHN C[C@H]1N(C)C(=O)COC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096201506 280037324 /nfs/dbraw/zinc/03/73/24/280037324.db2.gz XYDRMGLHCOXCBH-CYBMUJFWSA-N 0 3 306.381 2.037 40 0 DEABHN O=C1CCCN1[C@@H]1CN(CCc2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000107204027 280253111 /nfs/dbraw/zinc/25/31/11/280253111.db2.gz DUNOEMKAVNRYCY-LMMKCTJWSA-N 0 3 314.429 2.083 40 0 DEABHN CCN1CC[C@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@@H]12 ZINC000306129726 527903634 /nfs/dbraw/zinc/90/36/34/527903634.db2.gz ILBFFHGIWYITEZ-SJLPKXTDSA-N 0 3 301.434 2.406 40 0 DEABHN CCCCN1NC2(CCN(Cc3ccccc3)CC2)NC1=S ZINC000225350252 201696698 /nfs/dbraw/zinc/69/66/98/201696698.db2.gz UHERPBWNZCZCRI-UHFFFAOYSA-N 0 3 318.490 2.474 40 0 DEABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(C(C)C)C2)C1 ZINC000585104378 357334240 /nfs/dbraw/zinc/33/42/40/357334240.db2.gz LGRRWOHKCLITCG-IBGZPJMESA-N 0 3 316.445 2.454 40 0 DEABHN Cc1c(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cnn1C ZINC000585275474 357342726 /nfs/dbraw/zinc/34/27/26/357342726.db2.gz CMKOVENDKCVQHK-ROUUACIJSA-N 0 3 317.408 2.436 40 0 DEABHN CCn1nc(C)c(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c1C ZINC000257341630 203064058 /nfs/dbraw/zinc/06/40/58/203064058.db2.gz ZLFNYDUNMAACDA-IRXDYDNUSA-N 0 3 307.438 2.290 40 0 DEABHN COc1ccc(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1 ZINC000019285249 182111539 /nfs/dbraw/zinc/11/15/39/182111539.db2.gz CWLBPYLNCWAVAS-ZDUSSCGKSA-N 0 3 317.364 2.216 40 0 DEABHN Cc1ccc(CN(CCCN2CCOCC2)C[C@@H]2CCOC2)o1 ZINC000013992792 401805896 /nfs/dbraw/zinc/80/58/96/401805896.db2.gz YCFSOTOOUZQDQL-KRWDZBQOSA-N 0 3 322.449 2.149 40 0 DEABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)NC1CCN(C)CC1 ZINC000113951433 401788739 /nfs/dbraw/zinc/78/87/39/401788739.db2.gz JKRYROOSRWQEIH-MRXNPFEDSA-N 0 3 306.406 2.063 40 0 DEABHN CC1(C)CN(Cc2ccccc2)CCO[C@@H]1N1CCOCC1 ZINC000031960304 401875046 /nfs/dbraw/zinc/87/50/46/401875046.db2.gz ITRDUFRBZQOUCA-KRWDZBQOSA-N 0 3 304.434 2.203 40 0 DEABHN O=C(CNC[C@@H]1CCCO1)Nc1ccccc1N1CCCCC1 ZINC000035311438 401898585 /nfs/dbraw/zinc/89/85/85/401898585.db2.gz DJYHZDSEYWLZCS-HNNXBMFYSA-N 0 3 317.433 2.384 40 0 DEABHN Cc1onc(C(=O)NCC(C)(C)N2CCCCC2)c1CN(C)C ZINC000036748788 401907679 /nfs/dbraw/zinc/90/76/79/401907679.db2.gz CWUVVAUPVBEEFK-UHFFFAOYSA-N 0 3 322.453 2.039 40 0 DEABHN CCOC[C@@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 ZINC000096106388 402059044 /nfs/dbraw/zinc/05/90/44/402059044.db2.gz CSMLVCZSVKPHSE-MRXNPFEDSA-N 0 3 307.438 2.075 40 0 DEABHN CC(C)[C@H](N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097551 402026059 /nfs/dbraw/zinc/02/60/59/402026059.db2.gz YCSHTMQPLMHXDA-NSHDSACASA-N 0 3 317.252 2.379 40 0 DEABHN c1csc(CN2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)n1 ZINC000096053788 402051661 /nfs/dbraw/zinc/05/16/61/402051661.db2.gz VLDMOJGVVURWNQ-OKILXGFUSA-N 0 3 300.431 2.102 40 0 DEABHN Cc1nc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053798 402052125 /nfs/dbraw/zinc/05/21/25/402052125.db2.gz LAABDHUCMMQKMQ-HUUCEWRRSA-N 0 3 314.458 2.410 40 0 DEABHN c1cc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)co1 ZINC000096055028 402052465 /nfs/dbraw/zinc/05/24/65/402052465.db2.gz NJHFQNBCGMPLHH-MSOLQXFVSA-N 0 3 313.401 2.150 40 0 DEABHN Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)s1 ZINC000096053993 402053017 /nfs/dbraw/zinc/05/30/17/402053017.db2.gz MVHKNHOVDSLGRA-ZIAGYGMSSA-N 0 3 300.431 2.415 40 0 DEABHN c1ccc(-c2nnn3c2CO[C@H](CNCc2ccncc2)C3)cc1 ZINC000096061093 402054992 /nfs/dbraw/zinc/05/49/92/402054992.db2.gz LWZCQNLGTLNRSW-MRXNPFEDSA-N 0 3 321.384 2.029 40 0 DEABHN Cn1ccnc1CN1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096070936 402056534 /nfs/dbraw/zinc/05/65/34/402056534.db2.gz XFDVZPSDVFJGCC-UHFFFAOYSA-N 0 3 302.447 2.190 40 0 DEABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096158628 402063335 /nfs/dbraw/zinc/06/33/35/402063335.db2.gz SUUHEBCYMKSFJN-HNNXBMFYSA-N 0 3 306.381 2.151 40 0 DEABHN COCCN1CC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1=O ZINC000096202849 402068759 /nfs/dbraw/zinc/06/87/59/402068759.db2.gz PDDBAVCBFQCOAT-UHFFFAOYSA-N 0 3 316.445 2.374 40 0 DEABHN C[C@H]1N(C)C(=O)COC12CCN(Cc1cccc(F)c1)CC2 ZINC000096201524 402068938 /nfs/dbraw/zinc/06/89/38/402068938.db2.gz VNGCJWYNZNFQFC-CYBMUJFWSA-N 0 3 306.381 2.037 40 0 DEABHN COC(=O)C(=O)[C@@]1(c2ccccc2)CCCC(CN(C)C)C1=O ZINC000104072522 402196845 /nfs/dbraw/zinc/19/68/45/402196845.db2.gz DIETVJGVIAPOKO-GOSISDBHSA-N 0 3 317.385 2.224 40 0 DEABHN Cc1cc(N)cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 ZINC000257209984 402703783 /nfs/dbraw/zinc/70/37/83/402703783.db2.gz BSQUSXOMNCJDKT-OAHLLOKOSA-N 0 3 317.414 2.176 40 0 DEABHN CN1CCC(Cc2ccccc2)(C(=O)NC2CCOCC2)CC1 ZINC000257227040 402705827 /nfs/dbraw/zinc/70/58/27/402705827.db2.gz FNJIDXPYTBKQNZ-UHFFFAOYSA-N 0 3 316.445 2.236 40 0 DEABHN CO[C@H]1CCN(CCOc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257267441 402710928 /nfs/dbraw/zinc/71/09/28/402710928.db2.gz MHIOKJJYVYBPKR-IRXDYDNUSA-N 0 3 309.381 2.474 40 0 DEABHN O=c1cc(C[C@H]2COCCN(Cc3cccc(F)c3)C2)nc[nH]1 ZINC000257272158 402711411 /nfs/dbraw/zinc/71/14/11/402711411.db2.gz NBHBHYMJQMOTPG-CQSZACIVSA-N 0 3 317.364 2.012 40 0 DEABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OCCO)c2)C1 ZINC000257325374 402712151 /nfs/dbraw/zinc/71/21/51/402712151.db2.gz WSSCRZMDPZWPQH-MRXNPFEDSA-N 0 3 315.417 2.469 40 0 DEABHN Cc1nc(NCCO)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329014408 404201323 /nfs/dbraw/zinc/20/13/23/404201323.db2.gz MWEBNLOIXOWZNO-UHFFFAOYSA-N 0 3 312.417 2.487 40 0 DEABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccccn1)COC3 ZINC000096112630 274143959 /nfs/dbraw/zinc/14/39/59/274143959.db2.gz JWYAYTXUDKNKFP-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000079409329 279299530 /nfs/dbraw/zinc/29/95/30/279299530.db2.gz WLGVPGAFQHBHQX-CHWSQXEVSA-N 0 3 313.442 2.018 40 0 DEABHN CN1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)CC1 ZINC000072322143 289882305 /nfs/dbraw/zinc/88/23/05/289882305.db2.gz UIAGCHPBLAHSKS-AWEZNQCLSA-N 0 3 306.454 2.175 40 0 biogenic,in-vitro DEABHN Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO ZINC000008635311 563949582 /nfs/dbraw/zinc/94/95/82/563949582.db2.gz HVLSTKBVGAHKTI-IMJJTQAJSA-N 0 3 315.392 2.396 40 0 biogenic,in-vitro DEABHN CNc1ncc(CN2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cn1 ZINC000585286818 563959943 /nfs/dbraw/zinc/95/99/43/563959943.db2.gz VNSCGXMDOYCEDV-WMLDXEAASA-N 0 3 304.438 2.688 40 0 DEABHN O=C([O-])CN1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416260 185170757 /nfs/dbraw/zinc/17/07/57/185170757.db2.gz JIOQAJQKQSCWIE-MRXNPFEDSA-N 0 3 302.418 2.448 40 0 DEABHN O=C([O-])CN1CCC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416260 185170758 /nfs/dbraw/zinc/17/07/58/185170758.db2.gz JIOQAJQKQSCWIE-MRXNPFEDSA-N 0 3 302.418 2.448 40 0 DEABHN CC(C)N1CCC(c2nccnc2N2CCC[C@@H]2CO)CC1 ZINC000072365232 191133732 /nfs/dbraw/zinc/13/37/32/191133732.db2.gz YGQKPQGOLGDURX-OAHLLOKOSA-N 0 3 304.438 2.026 40 0 DEABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000072849917 191237689 /nfs/dbraw/zinc/23/76/89/191237689.db2.gz KJSAIAVIDVDHPZ-ZDUSSCGKSA-N 0 3 317.433 2.495 40 0 DEABHN CCN(CC)CCNC(=O)Nc1c[nH]c2ccc(C)cc2c1=O ZINC000004907823 181171275 /nfs/dbraw/zinc/17/12/75/181171275.db2.gz KHSUHQWCTAMWHY-UHFFFAOYSA-N 0 3 316.405 2.300 40 0 DEABHN CC(C)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585288474 357344873 /nfs/dbraw/zinc/34/48/73/357344873.db2.gz BGTZPMMVKRHHFF-IPMKNSEASA-N 0 3 318.461 2.373 40 0 DEABHN Cc1cccc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)n1 ZINC000585295136 357345809 /nfs/dbraw/zinc/34/58/09/357345809.db2.gz MUVKNGHOYOOHCK-GUDVDZBRSA-N 0 3 312.413 2.020 40 0 DEABHN OCCOc1cccc(CN2CCC(c3cnccn3)CC2)c1 ZINC000257301339 203026501 /nfs/dbraw/zinc/02/65/01/203026501.db2.gz RYAQXQSMXLLFFH-UHFFFAOYSA-N 0 3 313.401 2.227 40 0 DEABHN Clc1ccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)cc1 ZINC000257306344 203031617 /nfs/dbraw/zinc/03/16/17/203031617.db2.gz STXBUBRRGVGLDH-OAHLLOKOSA-N 0 3 307.781 2.346 40 0 DEABHN Cc1n[nH]cc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 ZINC000257317566 203040291 /nfs/dbraw/zinc/04/02/91/203040291.db2.gz VKHMLLMNVGOIKO-CQSZACIVSA-N 0 3 323.404 2.073 40 0 DEABHN Cc1ccc(C(=O)N2CCC3(C[C@H](N(C)C)CO3)CC2)cc1 ZINC000096158625 193555868 /nfs/dbraw/zinc/55/58/68/193555868.db2.gz IFPVQPTWIGCLBM-INIZCTEOSA-N 0 3 302.418 2.320 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(F)cc1 ZINC000019286357 182112355 /nfs/dbraw/zinc/11/23/55/182112355.db2.gz WRTOLYREEMTYNQ-LSDHHAIUSA-N 0 3 313.376 2.349 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(F)cc1 ZINC000019286357 182112357 /nfs/dbraw/zinc/11/23/57/182112357.db2.gz WRTOLYREEMTYNQ-LSDHHAIUSA-N 0 3 313.376 2.349 40 0 DEABHN CCN1CCC[C@@H]1CN(Cc1cnn(C)c1)Cc1ccco1 ZINC000022916092 182341521 /nfs/dbraw/zinc/34/15/21/182341521.db2.gz ULMXWFLFXJPBEK-MRXNPFEDSA-N 0 3 302.422 2.500 40 0 DEABHN CC(=O)N1CCN(c2cc(C)c([C@H](N)c3ccccc3)cn2)CC1 ZINC000072223741 257123471 /nfs/dbraw/zinc/12/34/71/257123471.db2.gz RKLFEANSMRVKEK-LJQANCHMSA-N 0 3 324.428 2.107 40 0 DEABHN COc1cc2c(cc1OC)[C@H]1[C@H]3C(=CC[C@H]1O[C@@H]2O)CCN3C ZINC000004097650 401725611 /nfs/dbraw/zinc/72/56/11/401725611.db2.gz VHYYSQODIQWPDO-PILAGYSTSA-N 0 3 317.385 2.211 40 0 biogenic,in-vitro DEABHN CCOc1cc(CNCCO)cc(Br)c1OCC ZINC000008253829 401750429 /nfs/dbraw/zinc/75/04/29/401750429.db2.gz NLWLNERGMKCTJI-UHFFFAOYSA-N 0 3 318.211 2.328 40 0 DEABHN O=C(CNC[C@H]1CCCO1)Nc1ccccc1N1CCCCC1 ZINC000035311439 401897942 /nfs/dbraw/zinc/89/79/42/401897942.db2.gz DJYHZDSEYWLZCS-OAHLLOKOSA-N 0 3 317.433 2.384 40 0 DEABHN O=C(N1CCCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096038706 402047971 /nfs/dbraw/zinc/04/79/71/402047971.db2.gz JWUZKWCDSDMYDE-NVXWUHKLSA-N 0 3 320.458 2.352 40 0 DEABHN O=C(c1ccccn1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096046496 402050327 /nfs/dbraw/zinc/05/03/27/402050327.db2.gz WBHKJZDOFTZXEW-UHFFFAOYSA-N 0 3 313.426 2.491 40 0 DEABHN CN(C)C(=O)[C@H]1C[C@@]2(CO1)CCCN(Cc1cccs1)C2 ZINC000096048883 402050603 /nfs/dbraw/zinc/05/06/03/402050603.db2.gz OZCJGGOLIJLVBT-ZBFHGGJFSA-N 0 3 308.447 2.207 40 0 DEABHN Cc1cccc(CO[C@@H]2C[C@H]3CN(CC4CC4)CCN3C2)n1 ZINC000096055108 402052876 /nfs/dbraw/zinc/05/28/76/402052876.db2.gz PLAAWENGSOKAHA-ZWKOTPCHSA-N 0 3 301.434 2.075 40 0 DEABHN Cc1noc(C[C@]23COC[C@H]2CN(Cc2ccsc2)C3)n1 ZINC000096207835 402069479 /nfs/dbraw/zinc/06/94/79/402069479.db2.gz STWDBRFILGKICT-HIFRSBDPSA-N 0 3 305.403 2.131 40 0 DEABHN O=C1N(c2cccnc2)CC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096224521 402071915 /nfs/dbraw/zinc/07/19/15/402071915.db2.gz YMVLHLQTSXVPGO-LJQANCHMSA-N 0 3 322.412 2.496 40 0 DEABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccoc1)C2 ZINC000096224558 402072444 /nfs/dbraw/zinc/07/24/44/402072444.db2.gz MPTWUUCPSQWPCT-KRWDZBQOSA-N 0 3 312.373 2.089 40 0 DEABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096228883 402072517 /nfs/dbraw/zinc/07/25/17/402072517.db2.gz CRLAFLPBJGMZKO-INIZCTEOSA-N 0 3 308.447 2.323 40 0 DEABHN CCN1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 ZINC000096249572 402074816 /nfs/dbraw/zinc/07/48/16/402074816.db2.gz DNDRRGOEUIVJOP-QZTJIDSGSA-N 0 3 316.445 2.188 40 0 DEABHN O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000096184409 402065344 /nfs/dbraw/zinc/06/53/44/402065344.db2.gz PCVDGQOKJGECGE-JKSUJKDBSA-N 0 3 324.421 2.073 40 0 DEABHN Cc1ccc(C)n1[C@@H]1CN(Cc2cnn(C)c2)[C@@H]2CCCO[C@H]12 ZINC000096185832 402065973 /nfs/dbraw/zinc/06/59/73/402065973.db2.gz HUBSIWHGXXLZGO-KURKYZTESA-N 0 3 314.433 2.443 40 0 DEABHN Cn1cc(CN2CCC3(CN(Cc4ccc(F)cc4)C3)C2)cn1 ZINC000096202673 402068787 /nfs/dbraw/zinc/06/87/87/402068787.db2.gz TYFOJQXEHRDHAG-UHFFFAOYSA-N 0 3 314.408 2.267 40 0 DEABHN Cc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 ZINC000097953815 402133742 /nfs/dbraw/zinc/13/37/42/402133742.db2.gz NEVOQVPCNHNNTH-BHYGNILZSA-N 0 3 302.418 2.063 40 0 DEABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)C2)c1ccncc1 ZINC000108528307 402255745 /nfs/dbraw/zinc/25/57/45/402255745.db2.gz QHQDQQVEGQDLMT-UHFFFAOYSA-N 0 3 322.412 2.261 40 0 DEABHN Cc1ncc(CN2CC[C@@]3(CCC[C@@H]3C(=O)NC(C)C)C2)cn1 ZINC000108531003 402256452 /nfs/dbraw/zinc/25/64/52/402256452.db2.gz OQPOQXVHXIXFSI-AEFFLSMTSA-N 0 3 316.449 2.302 40 0 DEABHN Cc1ccc(C(=O)N2Cc3cncn3[C@@H](CN3CCCC3)C2)o1 ZINC000247901619 402577973 /nfs/dbraw/zinc/57/79/73/402577973.db2.gz IVZAHLZKYHATDR-HNNXBMFYSA-N 0 3 314.389 2.077 40 0 DEABHN COCCN1CCC[C@H](c2cncc(-c3nc(C)c[nH]3)n2)C1 ZINC000257231331 402706433 /nfs/dbraw/zinc/70/64/33/402706433.db2.gz GGFKBNFNWJAVAG-ZDUSSCGKSA-N 0 3 301.394 2.001 40 0 DEABHN CC(C)[C@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333760891 403850177 /nfs/dbraw/zinc/85/01/77/403850177.db2.gz AKWZMVZCCUQGGV-MWDXBVQZSA-N 0 3 320.408 2.140 40 0 DEABHN Cn1cc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)cn1 ZINC000096047774 274891444 /nfs/dbraw/zinc/89/14/44/274891444.db2.gz QTCNDROZUHLWOC-KRWDZBQOSA-N 0 3 312.417 2.354 40 0 DEABHN CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178078 279275029 /nfs/dbraw/zinc/27/50/29/279275029.db2.gz OMKVBVRLIJKGES-BETUJISGSA-N 0 3 313.442 2.018 40 0 DEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409323 279299431 /nfs/dbraw/zinc/29/94/31/279299431.db2.gz WLGVPGAFQHBHQX-STQMWFEESA-N 0 3 313.442 2.018 40 0 DEABHN Cc1cc(CCC(=O)Nc2cn[nH]c2)cc([C@@H]2CCCN2C)n1 ZINC000072360576 191131525 /nfs/dbraw/zinc/13/15/25/191131525.db2.gz ROIWOJUSRAXPPN-INIZCTEOSA-N 0 3 313.405 2.451 40 0 DEABHN CN1CC[C@](O)(c2ccccc2)[C@H](CCC(=O)N2CCCC2)C1 ZINC000004429005 181109143 /nfs/dbraw/zinc/10/91/43/181109143.db2.gz HEPIYVBFOFFFNE-MJGOQNOKSA-N 0 3 316.445 2.229 40 0 DEABHN COCCCNCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000004388539 181106065 /nfs/dbraw/zinc/10/60/65/181106065.db2.gz DOTAXDMAEPXBDL-UHFFFAOYSA-N 0 3 306.284 2.150 40 0 DEABHN c1cncc(O[C@H]2CSC3(CN(C4CCOCC4)C3)C2)c1 ZINC000585104380 357333992 /nfs/dbraw/zinc/33/39/92/357333992.db2.gz HTBOOTQVRFHHPR-OAHLLOKOSA-N 0 3 306.431 2.199 40 0 DEABHN CN(C)Cc1c[nH]c([C@@H]2CN(CCc3ccccc3)CCO2)n1 ZINC000257303554 203028485 /nfs/dbraw/zinc/02/84/85/203028485.db2.gz SHRNEUXEFOULEL-KRWDZBQOSA-N 0 3 314.433 2.087 40 0 DEABHN CN(C)Cc1cnc([C@@H]2CN(CCc3ccccc3)CCO2)[nH]1 ZINC000257303554 203028486 /nfs/dbraw/zinc/02/84/86/203028486.db2.gz SHRNEUXEFOULEL-KRWDZBQOSA-N 0 3 314.433 2.087 40 0 DEABHN CC(=O)N1CCC(N2CC(Cc3nccc4cc[nH]c43)C2)CC1 ZINC000257289450 203015737 /nfs/dbraw/zinc/01/57/37/203015737.db2.gz PYRFVNIDSUNWPK-UHFFFAOYSA-N 0 3 312.417 2.048 40 0 DEABHN CNc1cc(C)nc([C@H]2CCN(C(=O)c3cc(C)on3)C2)c1 ZINC000257314517 203038748 /nfs/dbraw/zinc/03/87/48/203038748.db2.gz UXIKZEMYJNXZHZ-LBPRGKRZSA-N 0 3 300.362 2.358 40 0 DEABHN CCOc1c(Br)cc(CNC[C@@H](C)O)cc1OC ZINC000008253349 181540036 /nfs/dbraw/zinc/54/00/36/181540036.db2.gz SKYVKEWDQZSUBG-SECBINFHSA-N 0 3 318.211 2.327 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(F)cc1 ZINC000019286356 182112933 /nfs/dbraw/zinc/11/29/33/182112933.db2.gz WRTOLYREEMTYNQ-CABCVRRESA-N 0 3 313.376 2.349 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(F)cc1 ZINC000019286356 182112936 /nfs/dbraw/zinc/11/29/36/182112936.db2.gz WRTOLYREEMTYNQ-CABCVRRESA-N 0 3 313.376 2.349 40 0 DEABHN CC(C)(C)CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019082714 182104568 /nfs/dbraw/zinc/10/45/68/182104568.db2.gz IRMANXDNPSQPHS-CQSZACIVSA-N 0 3 302.422 2.222 40 0 DEABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1C(F)(F)F ZINC000019575292 182131659 /nfs/dbraw/zinc/13/16/59/182131659.db2.gz NEGDXXNUJDBBQV-MRVWCRGKSA-N 0 3 314.351 2.345 40 0 DEABHN CC(C)CC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019446576 182124122 /nfs/dbraw/zinc/12/41/22/182124122.db2.gz KWOYXWFDLVKLIP-UHFFFAOYSA-N 0 3 316.449 2.217 40 0 DEABHN COc1cccc(OC)c1OC[C@H](O)CN1CCCC[C@@H]1C ZINC000020806415 182247770 /nfs/dbraw/zinc/24/77/70/182247770.db2.gz CLFCNMVBIRZSGE-UONOGXRCSA-N 0 3 309.406 2.318 40 0 DEABHN COc1ccc(OC)c(NC(=S)NC[C@H]2CCCN(C)C2)c1 ZINC000009876243 401766403 /nfs/dbraw/zinc/76/64/03/401766403.db2.gz OUPGMVCBGXEDAT-GFCCVEGCSA-N 0 3 323.462 2.332 40 0 DEABHN Cc1cccc(CN2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)c1 ZINC000096043237 402049978 /nfs/dbraw/zinc/04/99/78/402049978.db2.gz GOMWXRTUDCGHKE-JQHSSLGASA-N 0 3 314.429 2.253 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3ccsc3)C2)CN1c1cncnc1 ZINC000096050826 402051475 /nfs/dbraw/zinc/05/14/75/402051475.db2.gz ZKVIXESNHKCFRV-MRXNPFEDSA-N 0 3 314.414 2.167 40 0 DEABHN Cc1cccc(CO[C@H]2C[C@H]3CN(CC4CC4)CCN3C2)n1 ZINC000096055109 402052409 /nfs/dbraw/zinc/05/24/09/402052409.db2.gz PLAAWENGSOKAHA-ROUUACIJSA-N 0 3 301.434 2.075 40 0 DEABHN O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCCO1 ZINC000096065382 402055369 /nfs/dbraw/zinc/05/53/69/402055369.db2.gz LJZCZDSEHJZFFJ-KFWWJZLASA-N 0 3 322.430 2.034 40 0 DEABHN CCN1CC[C@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@H]12 ZINC000096083410 402057503 /nfs/dbraw/zinc/05/75/03/402057503.db2.gz ILBFFHGIWYITEZ-FUHWJXTLSA-N 0 3 301.434 2.406 40 0 DEABHN COC[C@H]1C(=O)NCC12CCN(Cc1cccc(Cl)c1)CC2 ZINC000096208342 402069863 /nfs/dbraw/zinc/06/98/63/402069863.db2.gz SKZDXPPRXBWRQQ-HNNXBMFYSA-N 0 3 322.836 2.315 40 0 DEABHN c1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 ZINC000096219345 402071056 /nfs/dbraw/zinc/07/10/56/402071056.db2.gz RDRFNLKMUOMENY-FUHWJXTLSA-N 0 3 310.401 2.322 40 0 DEABHN Cn1cc(-c2ncnc3c2CCN(Cc2ccoc2)CC3)cn1 ZINC000096255187 402074547 /nfs/dbraw/zinc/07/45/47/402074547.db2.gz QYUUQCZSRUGUSA-UHFFFAOYSA-N 0 3 309.373 2.071 40 0 DEABHN Cn1cc(CN2CC[C@@]3(c4ccccc4)CCN(C)[C@H]3C2)cn1 ZINC000107755599 402239935 /nfs/dbraw/zinc/23/99/35/402239935.db2.gz KIKDBKSXYHFZDL-RBUKOAKNSA-N 0 3 310.445 2.268 40 0 DEABHN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)CN)CC2)n1 ZINC000257251136 402709096 /nfs/dbraw/zinc/70/90/96/402709096.db2.gz JPNOAEJYCYMDEF-UHFFFAOYSA-N 0 3 314.389 2.018 40 0 DEABHN Cc1c(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)cnn1C ZINC000257204489 402702325 /nfs/dbraw/zinc/70/23/25/402702325.db2.gz AUVUYJHKLLNDOO-RDJZCZTQSA-N 0 3 304.438 2.142 40 0 DEABHN COCCN1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049459 277225818 /nfs/dbraw/zinc/22/58/18/277225818.db2.gz HVIAUEIJXVHUEE-QGZVFWFLSA-N 0 3 324.490 2.309 40 0 DEABHN CCN(C(=O)[C@H](C)N)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391268 185168059 /nfs/dbraw/zinc/16/80/59/185168059.db2.gz YZKQBYNYTQCHEH-HIFPTAJRSA-N 0 3 313.442 2.018 40 0 DEABHN CN1CCCC[C@]1(C)C(=O)N1CCC(c2cnccn2)CC1 ZINC000072367314 191136962 /nfs/dbraw/zinc/13/69/62/191136962.db2.gz VVRFQARFBJEXQZ-QGZVFWFLSA-N 0 3 302.422 2.057 40 0 DEABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000081238767 192240705 /nfs/dbraw/zinc/24/07/05/192240705.db2.gz LGVQGQYVQSZEBD-KBPBESRZSA-N 0 3 317.433 2.495 40 0 DEABHN CO[C@H]1CN(C(=O)/C=C/CN(C)C)CC[C@@H]1Cc1ccccc1 ZINC000585289077 357344886 /nfs/dbraw/zinc/34/48/86/357344886.db2.gz FHHJYBSMMOJIQL-WGDYAQENSA-N 0 3 316.445 2.210 40 0 DEABHN COCC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C ZINC000257290093 203015337 /nfs/dbraw/zinc/01/53/37/203015337.db2.gz QBNYKPFFVPSNFG-YESZJQIVSA-N 0 3 302.418 2.459 40 0 DEABHN COc1ccc(F)cc1CN[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000285102059 218292114 /nfs/dbraw/zinc/29/21/14/218292114.db2.gz KJODBHXJYPUPKG-ZIAGYGMSSA-N 0 3 315.410 2.280 40 0 DEABHN CN1C(=O)c2cccnc2O[C@H]2CN(CCC(C)(C)C)C[C@H]21 ZINC000514289313 257216014 /nfs/dbraw/zinc/21/60/14/257216014.db2.gz HWOKRTNQSNERKQ-KGLIPLIRSA-N 0 3 303.406 2.035 40 0 biogenic,in-vitro DEABHN C[C@@H](O)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 ZINC000012650929 401789407 /nfs/dbraw/zinc/78/94/07/401789407.db2.gz CTTIQIOTCUBWFN-ZBFHGGJFSA-N 0 3 306.406 2.100 40 0 DEABHN O=C([C@@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21)N1CCCC1 ZINC000096038866 402048276 /nfs/dbraw/zinc/04/82/76/402048276.db2.gz ZBTWXTHTPWRENF-RCCFBDPRSA-N 0 3 314.429 2.146 40 0 DEABHN O=C(c1cccs1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053765 402052042 /nfs/dbraw/zinc/05/20/42/402052042.db2.gz ZIPALYZFYJXZID-GJZGRUSLSA-N 0 3 313.426 2.347 40 0 DEABHN c1coc(CN2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055019 402052428 /nfs/dbraw/zinc/05/24/28/402052428.db2.gz ADWRFSHBGVCHRA-SJLPKXTDSA-N 0 3 313.401 2.150 40 0 DEABHN O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000096058284 402054416 /nfs/dbraw/zinc/05/44/16/402054416.db2.gz GYLLYTJVDQXHPW-OWCLPIDISA-N 0 3 320.458 2.254 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CCC2(CCN(Cc3ccco3)CC2)O1 ZINC000096061159 402055077 /nfs/dbraw/zinc/05/50/77/402055077.db2.gz IGHJSQFWORPPKJ-INIZCTEOSA-N 0 3 318.417 2.319 40 0 DEABHN CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096206219 402069847 /nfs/dbraw/zinc/06/98/47/402069847.db2.gz OVGUNAWIRUMEOQ-FUHWJXTLSA-N 0 3 317.433 2.081 40 0 DEABHN c1ccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 ZINC000096219418 402071224 /nfs/dbraw/zinc/07/12/24/402071224.db2.gz BLLLVAZJEIVAGU-FUHWJXTLSA-N 0 3 310.401 2.322 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096161568 402064035 /nfs/dbraw/zinc/06/40/35/402064035.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 0 3 312.417 2.250 40 0 DEABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccs1 ZINC000248031848 402580908 /nfs/dbraw/zinc/58/09/08/402580908.db2.gz TZDISLJCDSEHBM-XIRDDKMYSA-N 0 3 324.490 2.306 40 0 DEABHN Cc1cc(N(C)C)cc([C@H]2CN(c3ccnc(C)n3)CCO2)n1 ZINC000257250887 402709005 /nfs/dbraw/zinc/70/90/05/402709005.db2.gz JOLFOHIKPXRFNQ-MRXNPFEDSA-N 0 3 313.405 2.132 40 0 DEABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2ccnc(N3CCCC3)n2)C1 ZINC000257204920 402702731 /nfs/dbraw/zinc/70/27/31/402702731.db2.gz AWWHZGYIDLUQMZ-CQSZACIVSA-N 0 3 312.421 2.098 40 0 DEABHN CNc1cnc(C[C@H]2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000257205731 402702850 /nfs/dbraw/zinc/70/28/50/402702850.db2.gz BAJGJDFVRJIIID-AWEZNQCLSA-N 0 3 314.437 2.097 40 0 DEABHN NCc1cn(-c2ccccc2C(=O)NCc2ccccc2F)cn1 ZINC000257207419 402702882 /nfs/dbraw/zinc/70/28/82/402702882.db2.gz BHRDHASXYIYDFX-UHFFFAOYSA-N 0 3 324.359 2.400 40 0 DEABHN CNc1cnc(C[C@@H]2CCCN(Cc3cnn(C)c3)CC2)cn1 ZINC000257205732 402703265 /nfs/dbraw/zinc/70/32/65/402703265.db2.gz BAJGJDFVRJIIID-CQSZACIVSA-N 0 3 314.437 2.097 40 0 DEABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1cccnc1)COC3 ZINC000096112631 274143777 /nfs/dbraw/zinc/14/37/77/274143777.db2.gz KTQPEVOTYXFPGD-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN CNc1cc(C)nc([C@H]2CN(c3nc(C)cc(C)n3)CCO2)c1 ZINC000257266152 277301907 /nfs/dbraw/zinc/30/19/07/277301907.db2.gz MBUHTXGTSIVUNL-MRXNPFEDSA-N 0 3 313.405 2.416 40 0 DEABHN CC[C@H](OC[C@@H](O)CN1CCN(CC)CC1)c1ccccc1 ZINC000022030794 281012008 /nfs/dbraw/zinc/01/20/08/281012008.db2.gz VSEBAVWJBVADMN-ROUUACIJSA-N 0 3 306.450 2.153 40 0 DEABHN COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3 ZINC000004777938 295277475 /nfs/dbraw/zinc/27/74/75/295277475.db2.gz CDGFTOARGCEWKI-IYOUNJFTSA-N 0 3 301.386 2.268 40 0 in-vitro DEABHN Cn1cc([C@@H]2CC(=O)NC23CCN(Cc2ccccc2)CC3)cn1 ZINC000096199771 302921398 /nfs/dbraw/zinc/92/13/98/302921398.db2.gz ONZOKTAUUFLRBZ-KRWDZBQOSA-N 0 3 324.428 2.058 40 0 DEABHN CCN1CCN(c2ccc(Nc3cc(NC)ncn3)cc2)CC1 ZINC000095917553 539433577 /nfs/dbraw/zinc/43/35/77/539433577.db2.gz DYLFXITZFJHFFJ-UHFFFAOYSA-N 0 3 312.421 2.404 40 0 DEABHN Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CN)n2)s1 ZINC000072382974 191141979 /nfs/dbraw/zinc/14/19/79/191141979.db2.gz STLQNMQOLVOGNW-LBPRGKRZSA-N 0 3 317.418 2.212 40 0 DEABHN Cn1cc(CN2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cn1 ZINC000072389996 191148046 /nfs/dbraw/zinc/14/80/46/191148046.db2.gz JUOMZSBWPPOAGB-OAHLLOKOSA-N 0 3 324.388 2.245 40 0 DEABHN COc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000072390796 191148421 /nfs/dbraw/zinc/14/84/21/191148421.db2.gz QOIUNUGGCSTIRN-SFHVURJKSA-N 0 3 324.428 2.468 40 0 DEABHN CNc1ncccc1CN1CCCCC[C@@H]2[C@@H]1CCN2C(C)=O ZINC000019712326 354045407 /nfs/dbraw/zinc/04/54/07/354045407.db2.gz GDWNQQUQTBWKMH-DLBZAZTESA-N 0 3 316.449 2.489 40 0 DEABHN Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)/C=C/CN(C)C)cc1 ZINC000585290395 357344973 /nfs/dbraw/zinc/34/49/73/357344973.db2.gz VYFBNJZLHNDPMJ-KEEVIKFDSA-N 0 3 316.445 2.007 40 0 DEABHN C[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)C1=CCN(C)CC1 ZINC000332842700 296061339 /nfs/dbraw/zinc/06/13/39/296061339.db2.gz VJZVOZKUTPXFKL-CJNGLKHVSA-N 0 3 317.437 2.297 40 0 DEABHN Cc1ccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)s1 ZINC000257297718 203022578 /nfs/dbraw/zinc/02/25/78/203022578.db2.gz RIOSJFNDARBXKY-HNNXBMFYSA-N 0 3 320.462 2.415 40 0 DEABHN Cc1nc([C@@]2(C)CCCN(CC(C)C)C2)nc2c1CC(=O)N2C ZINC000257315662 203041547 /nfs/dbraw/zinc/04/15/47/203041547.db2.gz VCIBJTFFCPVPAF-SFHVURJKSA-N 0 3 316.449 2.313 40 0 DEABHN CCn1ncc(CN(CCN(C)C)Cc2cccnc2)c1C ZINC000019523908 182127807 /nfs/dbraw/zinc/12/78/07/182127807.db2.gz QAVWEAHQEICRFO-UHFFFAOYSA-N 0 3 301.438 2.170 40 0 DEABHN O=C(NC1CCC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000096043334 256553820 /nfs/dbraw/zinc/55/38/20/256553820.db2.gz FJVPDJBBQZEWNJ-IXDOHACOSA-N 0 3 318.417 2.175 40 0 DEABHN COc1ccc([C@H]2[C@H](N)[C@H](c3ccccc3)Nc3ncnn32)cc1 ZINC000074941315 401745822 /nfs/dbraw/zinc/74/58/22/401745822.db2.gz QAKWCDKFQTULHZ-IKGGRYGDSA-N 0 3 321.384 2.370 40 0 DEABHN Cc1ccsc1[C@H]1NC(=N)Nc2nc(=O)c3ccccc3n21 ZINC000039921220 401924637 /nfs/dbraw/zinc/92/46/37/401924637.db2.gz LXPXRGHYGXPYPW-LBPRGKRZSA-N 0 3 311.370 2.054 40 0 DEABHN N[C@H](Cc1c[nH]cn1)c1nc2cc(Br)ccc2[nH]1 ZINC000037441195 401913773 /nfs/dbraw/zinc/91/37/73/401913773.db2.gz FFWOIROWJNNAJP-SECBINFHSA-N 0 3 306.167 2.291 40 0 DEABHN N[C@H](Cc1c[nH]cn1)c1nc2ccc(Br)cc2[nH]1 ZINC000037441195 401913775 /nfs/dbraw/zinc/91/37/75/401913775.db2.gz FFWOIROWJNNAJP-SECBINFHSA-N 0 3 306.167 2.291 40 0 DEABHN CC(C)[C@@H](N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097552 402025995 /nfs/dbraw/zinc/02/59/95/402025995.db2.gz YCSHTMQPLMHXDA-LLVKDONJSA-N 0 3 317.252 2.379 40 0 DEABHN CC(C)N1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076240 402057216 /nfs/dbraw/zinc/05/72/16/402057216.db2.gz XPDUEKQWNZVOSH-MRXNPFEDSA-N 0 3 309.479 2.466 40 0 DEABHN Cc1ccsc1CN1C[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@@H]2C1 ZINC000096220476 402071642 /nfs/dbraw/zinc/07/16/42/402071642.db2.gz LTUBUTLEHIMGBK-MELADBBJSA-N 0 3 308.447 2.124 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1cccnc1 ZINC000096239108 402073541 /nfs/dbraw/zinc/07/35/41/402073541.db2.gz PDRCLAAZDHWYTL-GOSISDBHSA-N 0 3 308.385 2.106 40 0 DEABHN CC(=O)N1CCO[C@@H]2CCN(Cc3ccc(C)s3)CC[C@H]21 ZINC000096249498 402074664 /nfs/dbraw/zinc/07/46/64/402074664.db2.gz SUJBPLQMHSELMF-HZPDHXFCSA-N 0 3 308.447 2.268 40 0 DEABHN CCN(C(=O)c1ccc2nnc([C@@H]3CCN(C)C3)n2c1)C(C)C ZINC000096156120 402062628 /nfs/dbraw/zinc/06/26/28/402062628.db2.gz YLYGDAZBNFVLGA-CYBMUJFWSA-N 0 3 315.421 2.019 40 0 DEABHN Cc1ccc(C(=O)N2CCC3(C[C@@H](N(C)C)CO3)CC2)cc1 ZINC000096158626 402063402 /nfs/dbraw/zinc/06/34/02/402063402.db2.gz IFPVQPTWIGCLBM-MRXNPFEDSA-N 0 3 302.418 2.320 40 0 DEABHN CO[C@H]1CCN(CC2CC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096205903 402068715 /nfs/dbraw/zinc/06/87/15/402068715.db2.gz QPRPFIMMKKWKRV-KSZLIROESA-N 0 3 301.434 2.013 40 0 DEABHN O=C(N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC000097953465 402133943 /nfs/dbraw/zinc/13/39/43/402133943.db2.gz QLDMAZFHIRUOBU-IMJJTQAJSA-N 0 3 320.458 2.254 40 0 DEABHN c1csc(CN2CC[C@@]3(C2)COCCN([C@H]2CCOC2)C3)c1 ZINC000107220488 402228422 /nfs/dbraw/zinc/22/84/22/402228422.db2.gz XGZSTFVDFDCHJZ-RDJZCZTQSA-N 0 3 322.474 2.061 40 0 DEABHN Cc1ncc(CN2CC[C@@]3(CCC[C@H]3C(=O)NC(C)C)C2)cn1 ZINC000108531001 402256677 /nfs/dbraw/zinc/25/66/77/402256677.db2.gz OQPOQXVHXIXFSI-WMZOPIPTSA-N 0 3 316.449 2.302 40 0 DEABHN CCc1noc(CC)c1CNC(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000272842999 402960793 /nfs/dbraw/zinc/96/07/93/402960793.db2.gz SMYRKSOKEFGIGU-LBPRGKRZSA-N 0 3 320.437 2.249 40 0 DEABHN CCOC(=O)c1cnc2c(C)ccc(F)c2c1N1CCNCC1 ZINC000064874856 276301974 /nfs/dbraw/zinc/30/19/74/276301974.db2.gz WJBRNSRPTDDVIC-UHFFFAOYSA-N 0 3 317.364 2.269 40 0 DEABHN CC(C)N(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391130 279274620 /nfs/dbraw/zinc/27/46/20/279274620.db2.gz XCNCNHFCRIYMRE-STQMWFEESA-N 0 3 313.442 2.018 40 0 DEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177861 279299631 /nfs/dbraw/zinc/29/96/31/279299631.db2.gz ATIZSGOWKDTQIO-BETUJISGSA-N 0 3 313.442 2.018 40 0 DEABHN O=S(=O)([N-]C[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1Cl ZINC000079440513 185171739 /nfs/dbraw/zinc/17/17/39/185171739.db2.gz SDOWRVUKDREMNK-SNVBAGLBSA-N 0 3 323.245 2.414 40 0 DEABHN COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN(C)C2)c1 ZINC000082334701 185176143 /nfs/dbraw/zinc/17/61/43/185176143.db2.gz GZFBSXZGGSNROT-NSHDSACASA-N 0 3 310.781 2.407 40 0 DEABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc(C(F)(F)F)c1 ZINC000072324795 191122710 /nfs/dbraw/zinc/12/27/10/191122710.db2.gz CWRPDHISSPOZMD-KCPJHIHWSA-N 0 3 314.351 2.345 40 0 DEABHN Cc1cccc(Nc2cnc([C@H]3CCCN(CCO)C3)cn2)n1 ZINC000072361632 191131713 /nfs/dbraw/zinc/13/17/13/191131713.db2.gz HXIXHASLSLOUBL-AWEZNQCLSA-N 0 3 313.405 2.095 40 0 DEABHN CNC(=O)CCc1cc([C@@H]2CCCN(C(C)C)C2)nc(C)n1 ZINC000072366384 191135947 /nfs/dbraw/zinc/13/59/47/191135947.db2.gz RLQCRMADURDZQD-CQSZACIVSA-N 0 3 304.438 2.051 40 0 DEABHN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000072849869 191238465 /nfs/dbraw/zinc/23/84/65/191238465.db2.gz XQPCIEQZZPTQHS-AWEZNQCLSA-N 0 3 317.433 2.353 40 0 DEABHN O=C(O[C@H]1CN2CCC1CC2)[C@](O)(Cc1ccccc1)C1CC1 ZINC000001640682 180882021 /nfs/dbraw/zinc/88/20/21/180882021.db2.gz CFCSBBISFREYTC-HKUYNNGSSA-N 0 3 315.413 2.008 40 0 DEABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000081238766 192240198 /nfs/dbraw/zinc/24/01/98/192240198.db2.gz LGVQGQYVQSZEBD-KGLIPLIRSA-N 0 3 317.433 2.495 40 0 DEABHN CN(C)Cc1c[nH]c([C@H]2CN(CCc3ccccc3)CCO2)n1 ZINC000257303555 203027726 /nfs/dbraw/zinc/02/77/26/203027726.db2.gz SHRNEUXEFOULEL-QGZVFWFLSA-N 0 3 314.433 2.087 40 0 DEABHN CN(C)Cc1cnc([C@H]2CN(CCc3ccccc3)CCO2)[nH]1 ZINC000257303555 203027730 /nfs/dbraw/zinc/02/77/30/203027730.db2.gz SHRNEUXEFOULEL-QGZVFWFLSA-N 0 3 314.433 2.087 40 0 DEABHN Cc1nccn1CCCNC(=O)c1[nH]nc2c1CCCCCC2 ZINC000019288139 182112722 /nfs/dbraw/zinc/11/27/22/182112722.db2.gz VWMZGWLEOSQTBG-UHFFFAOYSA-N 0 3 315.421 2.394 40 0 DEABHN CCOc1cc(C=O)ccc1OCCCN1CCN(CC)CC1 ZINC000019798143 182150731 /nfs/dbraw/zinc/15/07/31/182150731.db2.gz IXGUAZSZLKMLFQ-UHFFFAOYSA-N 0 3 320.433 2.304 40 0 DEABHN CCOc1ccc(CCC(=O)NCCN(C)C)cc1OCC ZINC000020487047 182223586 /nfs/dbraw/zinc/22/35/86/182223586.db2.gz BPFFZKQWSVZTNH-UHFFFAOYSA-N 0 3 308.422 2.094 40 0 DEABHN COc1cc(OC)c([C@H](CN)N2CCC(C)CC2)c(OC)c1 ZINC000062712595 257128983 /nfs/dbraw/zinc/12/89/83/257128983.db2.gz UPDWQVLWJNOHCZ-AWEZNQCLSA-N 0 3 308.422 2.444 40 0 DEABHN COc1cc(OC)c([C@H](CN)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000062712640 257129132 /nfs/dbraw/zinc/12/91/32/257129132.db2.gz HURJVMTZXCIYKX-OCCSQVGLSA-N 0 3 308.422 2.444 40 0 DEABHN COc1cc(OC)c([C@@H](CN)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000216294545 257132651 /nfs/dbraw/zinc/13/26/51/257132651.db2.gz HURJVMTZXCIYKX-TZMCWYRMSA-N 0 3 308.422 2.444 40 0 DEABHN Brc1ccc(-c2ccc(N3CCNCC3)nn2)cc1 ZINC000011567986 401775079 /nfs/dbraw/zinc/77/50/79/401775079.db2.gz DJUPBYISTRVXHZ-UHFFFAOYSA-N 0 3 319.206 2.316 40 0 DEABHN COCC(=O)NC1CCN(CC2(c3ccc(C)cc3)CC2)CC1 ZINC000012337262 401783766 /nfs/dbraw/zinc/78/37/66/401783766.db2.gz OKBNWSNKIGBPFH-UHFFFAOYSA-N 0 3 316.445 2.254 40 0 DEABHN O=C(c1ccccc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019368740 401822280 /nfs/dbraw/zinc/82/22/80/401822280.db2.gz FSLYQUZIUPZVCN-HNNXBMFYSA-N 0 3 322.412 2.142 40 0 DEABHN CC(C)N1C(=O)NC(=O)C12CCN(Cc1ccccc1)CC2 ZINC000031672218 401872684 /nfs/dbraw/zinc/87/26/84/401872684.db2.gz ULAXKFPEZRSMIT-UHFFFAOYSA-N 0 3 301.390 2.186 40 0 DEABHN CN(CCN1CCCCC1)C(=O)c1ccnc(N2CCCC2)c1 ZINC000036753084 401907794 /nfs/dbraw/zinc/90/77/94/401907794.db2.gz NRXPGGZZEDUSPD-UHFFFAOYSA-N 0 3 316.449 2.240 40 0 DEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)s1 ZINC000096110035 402059478 /nfs/dbraw/zinc/05/94/78/402059478.db2.gz MRONUOSAEJINIJ-IUODEOHRSA-N 0 3 305.403 2.148 40 0 DEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)s1 ZINC000096108412 402059615 /nfs/dbraw/zinc/05/96/15/402059615.db2.gz HVKXHUSDTLHEOP-PBHICJAKSA-N 0 3 322.474 2.277 40 0 DEABHN O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 ZINC000096043029 402049689 /nfs/dbraw/zinc/04/96/89/402049689.db2.gz CNTKCIYHSDUYEO-CWRNSKLLSA-N 0 3 320.458 2.254 40 0 DEABHN CC(C)NC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042683 402049726 /nfs/dbraw/zinc/04/97/26/402049726.db2.gz NWEYDZJOTSJOBT-RCCFBDPRSA-N 0 3 316.445 2.233 40 0 DEABHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053815 402051529 /nfs/dbraw/zinc/05/15/29/402051529.db2.gz QMXPNEVRFAAXFV-HUUCEWRRSA-N 0 3 313.426 2.347 40 0 DEABHN Cc1ccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053826 402052049 /nfs/dbraw/zinc/05/20/49/402052049.db2.gz QGVNBAXIXLCOND-HUUCEWRRSA-N 0 3 311.385 2.187 40 0 DEABHN COc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)cc1 ZINC000096054996 402052474 /nfs/dbraw/zinc/05/24/74/402052474.db2.gz GASPNUSGLRSTIH-IEBWSBKVSA-N 0 3 316.445 2.380 40 0 DEABHN COC[C@@H]1C(=O)NCC12CCN(Cc1sccc1C)CC2 ZINC000096206167 402069500 /nfs/dbraw/zinc/06/95/00/402069500.db2.gz KPCBSLGWCALPBE-CYBMUJFWSA-N 0 3 308.447 2.031 40 0 DEABHN Cc1cccc(S(=O)(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000096215239 402070933 /nfs/dbraw/zinc/07/09/33/402070933.db2.gz GYCDTHMMEVJRKD-MRXNPFEDSA-N 0 3 308.447 2.101 40 0 DEABHN CCOC(=O)c1cnc2ccc(CC)cc2c1N1CCNCC1 ZINC000062719742 402110257 /nfs/dbraw/zinc/11/02/57/402110257.db2.gz XICSOVKUHPIZDG-UHFFFAOYSA-N 0 3 313.401 2.384 40 0 DEABHN Cc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)s1 ZINC000096187379 402065888 /nfs/dbraw/zinc/06/58/88/402065888.db2.gz STSGNBNFSGLRCW-UHFFFAOYSA-N 0 3 304.419 2.040 40 0 DEABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@@H]21)C1CC1 ZINC000096185462 402066146 /nfs/dbraw/zinc/06/61/46/402066146.db2.gz YWCKEDWJJQVKRI-HRCADAONSA-N 0 3 320.458 2.111 40 0 DEABHN Cn1ncc2c1[C@H](COCC1CC1)CN(CC1CCOCC1)C2 ZINC000096198320 402067200 /nfs/dbraw/zinc/06/72/00/402067200.db2.gz VIHLYVHBBBLXNF-KRWDZBQOSA-N 0 3 319.449 2.173 40 0 DEABHN c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@H]2CCOC2)c1 ZINC000096200560 402067911 /nfs/dbraw/zinc/06/79/11/402067911.db2.gz RUSYQJTWRATFLC-BZSNNMDCSA-N 0 3 302.418 2.283 40 0 DEABHN c1ccc(CO[C@H]2CC[C@H]3[C@H]2OCCN3C2CCOCC2)nc1 ZINC000097953758 402133906 /nfs/dbraw/zinc/13/39/06/402133906.db2.gz PLJLRCXBEIUMFG-OKZBNKHCSA-N 0 3 318.417 2.009 40 0 DEABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 ZINC000223252304 402310043 /nfs/dbraw/zinc/31/00/43/402310043.db2.gz ODNXWUXNBOGPDB-HUUCEWRRSA-N 0 3 316.430 2.209 40 0 DEABHN COCCN1CCC(Cc2cnc(-c3cc(C)[nH]n3)cn2)CC1 ZINC000257206929 402703338 /nfs/dbraw/zinc/70/33/38/402703338.db2.gz BFNIDQSEJVXNKU-UHFFFAOYSA-N 0 3 315.421 2.076 40 0 DEABHN CCn1cc(-c2cncc([C@@H]3CCCN(CCOC)C3)n2)cn1 ZINC000257246971 402708456 /nfs/dbraw/zinc/70/84/56/402708456.db2.gz IWTZJJLFTHQKKJ-CQSZACIVSA-N 0 3 315.421 2.186 40 0 DEABHN CN1CCC(c2nccnc2CNC(=O)C2CCCC2)CC1 ZINC000257269739 402711493 /nfs/dbraw/zinc/71/14/93/402711493.db2.gz MRERSZANKVHDOK-UHFFFAOYSA-N 0 3 302.422 2.092 40 0 DEABHN c1cncc(O[C@@H]2CSC3(CN(CC4CCOCC4)C3)C2)c1 ZINC000253477031 402667495 /nfs/dbraw/zinc/66/74/95/402667495.db2.gz CNDSGABQNOFNKD-INIZCTEOSA-N 0 3 320.458 2.447 40 0 DEABHN CC(C)N1CCC[C@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257205642 402702972 /nfs/dbraw/zinc/70/29/72/402702972.db2.gz AZZPNVAMGBKPLH-AWEZNQCLSA-N 0 3 304.438 2.163 40 0 DEABHN CC(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000333760894 403849675 /nfs/dbraw/zinc/84/96/75/403849675.db2.gz AKWZMVZCCUQGGV-YYIAUSFCSA-N 0 3 320.408 2.140 40 0 DEABHN CC(C)N(C(=O)CN)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391126 279274296 /nfs/dbraw/zinc/27/42/96/279274296.db2.gz OMKVBVRLIJKGES-UHFFFAOYSA-N 0 3 313.442 2.018 40 0 DEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000079409332 279299464 /nfs/dbraw/zinc/29/94/64/279299464.db2.gz WLGVPGAFQHBHQX-OLZOCXBDSA-N 0 3 313.442 2.018 40 0 DEABHN Cc1cccc(CN2Cc3ccnn3[C@H](CN3CCCC3)C2)n1 ZINC000306143977 281217713 /nfs/dbraw/zinc/21/77/13/281217713.db2.gz YSMCIIXUXSCWCT-GOSISDBHSA-N 0 3 311.433 2.239 40 0 DEABHN c1csc(CN2Cc3cncn3[C@@H](CN3CCCCC3)C2)n1 ZINC000306123207 534522115 /nfs/dbraw/zinc/52/21/15/534522115.db2.gz AHGBYSSFCYHZAQ-HNNXBMFYSA-N 0 3 317.462 2.382 40 0 DEABHN CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCN(CCO)C1 ZINC000079411151 185169854 /nfs/dbraw/zinc/16/98/54/185169854.db2.gz NYQJXGOHNLAGIF-KRWDZBQOSA-N 0 3 320.433 2.490 40 0 DEABHN CC(C)NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000174608682 198358675 /nfs/dbraw/zinc/35/86/75/198358675.db2.gz MCFKKVCYUOWTLZ-UHFFFAOYSA-N 0 3 303.406 2.105 40 0 DEABHN COc1cc(OC)c([C@@H](CN)N2CCC[C@H](C)C2)c(OC)c1 ZINC000108349943 355734332 /nfs/dbraw/zinc/73/43/32/355734332.db2.gz HURJVMTZXCIYKX-GXTWGEPZSA-N 0 3 308.422 2.444 40 0 DEABHN COc1cc(CNCc2ccnn2CC(F)(F)F)ccc1O ZINC000256051978 202923768 /nfs/dbraw/zinc/92/37/68/202923768.db2.gz LJABPIITFJWCFW-UHFFFAOYSA-N 0 3 315.295 2.449 40 0 DEABHN CC(C)CCN1C[C@@H]2[C@H](C1)Oc1cc(F)ccc1C(=O)N2C ZINC000514288658 257216575 /nfs/dbraw/zinc/21/65/75/257216575.db2.gz OQZZNLPTMCLZSE-ZBFHGGJFSA-N 0 3 306.381 2.389 40 0 biogenic,in-vitro DEABHN Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO ZINC000008635302 401754352 /nfs/dbraw/zinc/75/43/52/401754352.db2.gz ZGNLAIYNIMJPEJ-XQQFMLRXSA-N 0 3 303.431 2.319 40 0 biogenic,in-vitro DEABHN CC(C)(C)OC(=O)N1CC[C@](O)(/C=C/c2ccccc2)[C@H](N)C1 ZINC000095951392 402036167 /nfs/dbraw/zinc/03/61/67/402036167.db2.gz HWCDIWRBWBGUPO-NKUAOLACSA-N 0 3 318.417 2.399 40 0 DEABHN Cc1cc(CN2C[C@@H](N(C)C(C)C)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040591 402048853 /nfs/dbraw/zinc/04/88/53/402048853.db2.gz VEJKPFJMANSKGE-UAGQMJEPSA-N 0 3 307.438 2.303 40 0 DEABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1ccncc1)CC2 ZINC000096047530 402050567 /nfs/dbraw/zinc/05/05/67/402050567.db2.gz AQJDMNMFVFHVCU-GOSISDBHSA-N 0 3 317.433 2.075 40 0 DEABHN COCCN1CCOC[C@@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096049456 402050920 /nfs/dbraw/zinc/05/09/20/402050920.db2.gz SSJAKBHHDFLBNL-KRWDZBQOSA-N 0 3 324.490 2.309 40 0 DEABHN O=C([C@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCCC1 ZINC000096052171 402051992 /nfs/dbraw/zinc/05/19/92/402051992.db2.gz LIJYGAKGQCGZSP-MRXNPFEDSA-N 0 3 318.417 2.131 40 0 DEABHN c1cc(CN2CCN3C[C@@H](OCc4ccccn4)C[C@@H]3C2)co1 ZINC000096055115 402052468 /nfs/dbraw/zinc/05/24/68/402052468.db2.gz ZTYRPVKALQMTBF-MSOLQXFVSA-N 0 3 313.401 2.150 40 0 DEABHN O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1 ZINC000096057595 402053444 /nfs/dbraw/zinc/05/34/44/402053444.db2.gz WFUMTNUTUXGOLI-ARFHVFGLSA-N 0 3 320.458 2.254 40 0 DEABHN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(CCF)CC2 ZINC000096220906 402072166 /nfs/dbraw/zinc/07/21/66/402072166.db2.gz OOGXOBBQZDKLCG-INIZCTEOSA-N 0 3 307.413 2.106 40 0 DEABHN O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1ccccn1 ZINC000096239159 402074111 /nfs/dbraw/zinc/07/41/11/402074111.db2.gz CEENCDMXDGQWQJ-SFHVURJKSA-N 0 3 308.385 2.106 40 0 DEABHN Cc1ccc(CN2CCC[C@]3(C(=O)[O-])C[N@H+](C)C[C@@H]3C2)s1 ZINC000096185149 402065359 /nfs/dbraw/zinc/06/53/59/402065359.db2.gz NPPCFEJDULAHJG-CJNGLKHVSA-N 0 3 308.447 2.285 40 0 DEABHN Cc1ccc(CN2CCC[C@]3(C(=O)[O-])C[N@@H+](C)C[C@@H]3C2)s1 ZINC000096185149 402065362 /nfs/dbraw/zinc/06/53/62/402065362.db2.gz NPPCFEJDULAHJG-CJNGLKHVSA-N 0 3 308.447 2.285 40 0 DEABHN Cc1ccc(C[N@@H+]2CCC[C@]3(C(=O)[O-])CN(C)C[C@@H]3C2)s1 ZINC000096185149 402065364 /nfs/dbraw/zinc/06/53/64/402065364.db2.gz NPPCFEJDULAHJG-CJNGLKHVSA-N 0 3 308.447 2.285 40 0 DEABHN Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)[O-])CN(C)C[C@@H]3C2)s1 ZINC000096185149 402065367 /nfs/dbraw/zinc/06/53/67/402065367.db2.gz NPPCFEJDULAHJG-CJNGLKHVSA-N 0 3 308.447 2.285 40 0 DEABHN Cc1cccc(CN2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)c1 ZINC000097953821 402133721 /nfs/dbraw/zinc/13/37/21/402133721.db2.gz GOMWXRTUDCGHKE-RYQLBKOJSA-N 0 3 314.429 2.253 40 0 DEABHN c1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 ZINC000107226385 402228165 /nfs/dbraw/zinc/22/81/65/402228165.db2.gz RDRFNLKMUOMENY-AEFFLSMTSA-N 0 3 310.401 2.322 40 0 DEABHN Cc1noc(C)c1CN1CC[C@@H]2[C@H](CC1)OCCN2CC1CC1 ZINC000107254942 402228769 /nfs/dbraw/zinc/22/87/69/402228769.db2.gz YWJTZULSFFEVBM-MSOLQXFVSA-N 0 3 319.449 2.367 40 0 DEABHN Cn1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000107711940 402239206 /nfs/dbraw/zinc/23/92/06/402239206.db2.gz TUDBNEXZGGSTBJ-ROUUACIJSA-N 0 3 319.449 2.218 40 0 DEABHN NC[C@@H]1CCN(c2ccccc2Oc2ccccc2)S1(=O)=O ZINC000222546174 402307990 /nfs/dbraw/zinc/30/79/90/402307990.db2.gz GCKXCWGGJJIXPJ-AWEZNQCLSA-N 0 3 318.398 2.346 40 0 DEABHN OC1(c2csc(CN3CCC3)n2)CCN(C2CCC2)CC1 ZINC000225421551 402317096 /nfs/dbraw/zinc/31/70/96/402317096.db2.gz NGIICKBMFHKVNY-UHFFFAOYSA-N 0 3 307.463 2.185 40 0 biogenic,in-vitro DEABHN Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)n1 ZINC000257238113 402706804 /nfs/dbraw/zinc/70/68/04/402706804.db2.gz HJQBSXZYDKVZQS-OAHLLOKOSA-N 0 3 304.438 2.300 40 0 DEABHN C[C@@]12C[C@@H](CC(C)(C)C1)N(Cc1oc(CO)cc(=O)c1O)C2 ZINC000079189954 185161255 /nfs/dbraw/zinc/16/12/55/185161255.db2.gz YCAFKKRJYVISFP-PIGZYNQJSA-N 0 3 307.390 2.238 40 0 DEABHN CC(C)[C@H](N)C(=O)N(Cc1ccc2c(c1)OCCO2)C(C)C ZINC000079418846 185170742 /nfs/dbraw/zinc/17/07/42/185170742.db2.gz WGTNNZUXYAVMCW-INIZCTEOSA-N 0 3 306.406 2.178 40 0 DEABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079390967 185167925 /nfs/dbraw/zinc/16/79/25/185167925.db2.gz POTLHPIZNHELMF-MSOLQXFVSA-N 0 3 317.477 2.483 40 0 DEABHN Cn1cc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cn1 ZINC000072389995 191147909 /nfs/dbraw/zinc/14/79/09/191147909.db2.gz JUOMZSBWPPOAGB-HNNXBMFYSA-N 0 3 324.388 2.245 40 0 DEABHN CN1CCC[C@H](c2cncc(C(=O)NCCc3ccccc3)n2)C1 ZINC000072387117 191145286 /nfs/dbraw/zinc/14/52/86/191145286.db2.gz FIQHVJXGGYTPKV-INIZCTEOSA-N 0 3 324.428 2.258 40 0 DEABHN CCOC[C@H]1CCN(C)C2(CN(Cc3scnc3C)C2)C1 ZINC000585102629 357333059 /nfs/dbraw/zinc/33/30/59/357333059.db2.gz CQKNDNAABWVGGH-AWEZNQCLSA-N 0 3 309.479 2.384 40 0 DEABHN CO[C@@]1(CCC(=O)N(C)C)CCCN(Cc2ccncc2C)C1 ZINC000585275271 357342133 /nfs/dbraw/zinc/34/21/33/357342133.db2.gz BOTIJEQOMHKHHF-GOSISDBHSA-N 0 3 319.449 2.239 40 0 DEABHN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3ccccn3)C[C@H]12 ZINC000257342472 203065121 /nfs/dbraw/zinc/06/51/21/203065121.db2.gz ZOTPNDCRIFSACJ-HYVNUMGLSA-N 0 3 309.417 2.218 40 0 DEABHN c1cc(CN2CCC3(C[C@H](Nc4ncccn4)CO3)CC2)co1 ZINC000096221554 193589572 /nfs/dbraw/zinc/58/95/72/193589572.db2.gz ARTQYLXAAIWYFO-HNNXBMFYSA-N 0 3 314.389 2.305 40 0 DEABHN COc1cc(CCN2CCN(C(C)C)CC2)cc(OC)c1OC ZINC000022594714 182326985 /nfs/dbraw/zinc/32/69/85/182326985.db2.gz NOLUPKVJWDSOJS-UHFFFAOYSA-N 0 3 322.449 2.281 40 0 DEABHN C(CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21)N1CCCCC1 ZINC000096042101 256554709 /nfs/dbraw/zinc/55/47/09/256554709.db2.gz OJZXKKGWCJAELF-OKZBNKHCSA-N 0 3 308.466 2.131 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@@H]([C@](O)(CN)c2ccccc2)C1 ZINC000072208101 257127898 /nfs/dbraw/zinc/12/78/98/257127898.db2.gz QRWKUVKFTZFVNW-QAPCUYQASA-N 0 3 320.433 2.480 40 0 DEABHN CCC(=O)NC(=S)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000005822700 401731056 /nfs/dbraw/zinc/73/10/56/401731056.db2.gz XTZUZTOPTBVQKJ-UHFFFAOYSA-N 0 3 320.462 2.052 40 0 DEABHN CN1Cc2ncn(CC3CC3)c2[C@H](COCC2CCOCC2)C1 ZINC000096045168 402049855 /nfs/dbraw/zinc/04/98/55/402049855.db2.gz HVPRNOWWUJVPDP-INIZCTEOSA-N 0 3 319.449 2.265 40 0 DEABHN COc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 ZINC000096055850 402052566 /nfs/dbraw/zinc/05/25/66/402052566.db2.gz SNFRZFVRRSOOCB-SJORKVTESA-N 0 3 310.401 2.338 40 0 DEABHN C1CC1c1nnc([C@H]2C[C@@H]3CCN(C4CCOCC4)C[C@H]3O2)o1 ZINC000096070608 402056494 /nfs/dbraw/zinc/05/64/94/402056494.db2.gz RWURHEYDIIMMSX-NWANDNLSSA-N 0 3 319.405 2.278 40 0 DEABHN O=C(c1ccncc1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202768 402069064 /nfs/dbraw/zinc/06/90/64/402069064.db2.gz CWNCCIFCAPRDOF-UHFFFAOYSA-N 0 3 313.426 2.491 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228880 402072404 /nfs/dbraw/zinc/07/24/04/402072404.db2.gz WOHAEXZFLLQRCD-MRXNPFEDSA-N 0 3 308.447 2.323 40 0 DEABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228748 402072762 /nfs/dbraw/zinc/07/27/62/402072762.db2.gz IUIWQSZPZSQJEW-QGZVFWFLSA-N 0 3 306.406 2.243 40 0 DEABHN c1nc(NCC2CC2)nc2c1COC[C@@]21CCN(CC2CC2)C1 ZINC000096244111 402073702 /nfs/dbraw/zinc/07/37/02/402073702.db2.gz ZXCJMFALJJLKSC-SFHVURJKSA-N 0 3 314.433 2.182 40 0 DEABHN FC1(F)CCN(CC2CC2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096239701 402073921 /nfs/dbraw/zinc/07/39/21/402073921.db2.gz NDHDKBKKUJDLJW-OAHLLOKOSA-N 0 3 308.376 2.424 40 0 DEABHN Fc1ccc(-c2ncnc3c2CCN([C@H]2CCOC2)CC3)cc1 ZINC000096255295 402075266 /nfs/dbraw/zinc/07/52/66/402075266.db2.gz KJQWEEMJQNCOKH-HNNXBMFYSA-N 0 3 313.376 2.472 40 0 DEABHN CCOC(=O)c1cnc2c(CC)cccc2c1N1CCNCC1 ZINC000064874814 402121938 /nfs/dbraw/zinc/12/19/38/402121938.db2.gz KCBSWYKENNSKPU-UHFFFAOYSA-N 0 3 313.401 2.384 40 0 DEABHN CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 ZINC000096186202 402065930 /nfs/dbraw/zinc/06/59/30/402065930.db2.gz ZROIRHDHKSDEOW-ZIAGYGMSSA-N 0 3 302.374 2.001 40 0 DEABHN COCCN1CCC[C@@]12CCCN(C(=O)c1ccccc1)C2 ZINC000096203230 402068848 /nfs/dbraw/zinc/06/88/48/402068848.db2.gz HYAMIRLZIAWKOM-GOSISDBHSA-N 0 3 302.418 2.404 40 0 DEABHN COc1ccc(N2C(=O)C[C@H](NCC3CCCCC3)C2=O)cc1 ZINC000100619712 402141679 /nfs/dbraw/zinc/14/16/79/402141679.db2.gz ITBAQFJMLZWCFN-INIZCTEOSA-N 0 3 316.401 2.497 40 0 DEABHN OCCN(CCO)CCc1ccc(COc2ccccc2)cc1 ZINC000068606132 402202806 /nfs/dbraw/zinc/20/28/06/402202806.db2.gz MKJULGUFZRFLFY-UHFFFAOYSA-N 0 3 315.413 2.095 40 0 DEABHN Cc1cccc(CN2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)n1 ZINC000107197804 402227327 /nfs/dbraw/zinc/22/73/27/402227327.db2.gz ADRKAIAEQXYDQU-PKOBYXMFSA-N 0 3 324.428 2.123 40 0 DEABHN CC(C)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 ZINC000248148671 402583377 /nfs/dbraw/zinc/58/33/77/402583377.db2.gz FVRRYZJZLFNMDK-IRXDYDNUSA-N 0 3 322.474 2.072 40 0 DEABHN NCc1cn(-c2ccccc2C(=O)NCc2cccs2)cn1 ZINC000257227094 402705331 /nfs/dbraw/zinc/70/53/31/402705331.db2.gz FNPAVHCQLMNYHS-UHFFFAOYSA-N 0 3 312.398 2.323 40 0 DEABHN CNC(=O)CN1CCC[C@H](Cc2ccnc3ccncc23)CC1 ZINC000257247083 402708290 /nfs/dbraw/zinc/70/82/90/402708290.db2.gz IXIZMDYGLOTTFV-AWEZNQCLSA-N 0 3 312.417 2.020 40 0 DEABHN CN1CCC(Nc2nc(Cl)ncc2Br)CC1 ZINC000039957229 273870706 /nfs/dbraw/zinc/87/07/06/273870706.db2.gz RQWMPGNXZKTTBL-UHFFFAOYSA-N 0 3 305.607 2.399 40 0 DEABHN O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccn1 ZINC000306144904 275031383 /nfs/dbraw/zinc/03/13/83/275031383.db2.gz ZRXGLSYBIKUZQH-QZTJIDSGSA-N 0 3 322.412 2.174 40 0 DEABHN CC(C)N(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391131 279274533 /nfs/dbraw/zinc/27/45/33/279274533.db2.gz XCNCNHFCRIYMRE-CHWSQXEVSA-N 0 3 313.442 2.018 40 0 DEABHN Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccccc2)CC3)cn1 ZINC000096199772 279349078 /nfs/dbraw/zinc/34/90/78/279349078.db2.gz ONZOKTAUUFLRBZ-QGZVFWFLSA-N 0 3 324.428 2.058 40 0 DEABHN CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 ZINC000019500570 280221078 /nfs/dbraw/zinc/22/10/78/280221078.db2.gz GMLUXTKWFLFVSC-HNNXBMFYSA-N 0 3 320.485 2.439 40 0 DEABHN CC(C)[C@H](N)C(=O)N(C[C@H]1COc2ccccc2O1)C(C)C ZINC000079418822 280271718 /nfs/dbraw/zinc/27/17/18/280271718.db2.gz JJJFXNXUCQSIRQ-BBRMVZONSA-N 0 3 306.406 2.047 40 0 DEABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](CN3CCCC3=O)[C@H]2C1 ZINC000306140938 534471685 /nfs/dbraw/zinc/47/16/85/534471685.db2.gz VHHTZTVGWSEESK-RBSFLKMASA-N 0 3 320.458 2.126 40 0 DEABHN CN(C[C@@H]1CCCCN1CCO)C(=O)OCc1ccccc1 ZINC000079410970 185169946 /nfs/dbraw/zinc/16/99/46/185169946.db2.gz PCLLJSXFTFBYRJ-INIZCTEOSA-N 0 3 306.406 2.102 40 0 DEABHN CN([C@@H]1CCCNC1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000079440498 185171873 /nfs/dbraw/zinc/17/18/73/185171873.db2.gz WWJKPNOZHODGLN-SNVBAGLBSA-N 0 3 323.245 2.366 40 0 DEABHN Cc1nn(C)c(C)c1CN1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257343246 282259635 /nfs/dbraw/zinc/25/96/35/282259635.db2.gz ZSCHUAMOWFOSBQ-RDJZCZTQSA-N 0 3 304.438 2.060 40 0 DEABHN COc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000072390797 191147990 /nfs/dbraw/zinc/14/79/90/191147990.db2.gz QOIUNUGGCSTIRN-GOSISDBHSA-N 0 3 324.428 2.468 40 0 DEABHN COC(=O)c1cc(NC(=O)[C@H]2CCCN(C)C2)ccc1Cl ZINC000073692199 191341838 /nfs/dbraw/zinc/34/18/38/191341838.db2.gz DPZNNRLIBSGZJQ-JTQLQIEISA-N 0 3 310.781 2.407 40 0 DEABHN CCCCN1CCC[C@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 ZINC000585101146 357332738 /nfs/dbraw/zinc/33/27/38/357332738.db2.gz IUAYWYNMZQBZNB-ZDUSSCGKSA-N 0 3 321.343 2.076 40 0 DEABHN CN1CC[C@H](COc2ccccn2)CC12CN(C1CCC1)C2 ZINC000585102874 357334544 /nfs/dbraw/zinc/33/45/44/357334544.db2.gz LPIMTDBGPKTLHB-HNNXBMFYSA-N 0 3 301.434 2.409 40 0 DEABHN CSCC[C@@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000006825401 181395623 /nfs/dbraw/zinc/39/56/23/181395623.db2.gz FHLNBHBQGFIHKH-GFCCVEGCSA-N 0 3 306.387 2.120 40 0 DEABHN CCCn1cc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)cn1 ZINC000257283960 203011643 /nfs/dbraw/zinc/01/16/43/203011643.db2.gz PAQPUYVPNDUXPM-RDJZCZTQSA-N 0 3 304.438 2.316 40 0 DEABHN Cc1nc2cc(C(=O)N(C)CCN3CCCCC3)ccc2n1C ZINC000019656356 182134033 /nfs/dbraw/zinc/13/40/33/182134033.db2.gz XDAPPHXDPQADDS-UHFFFAOYSA-N 0 3 314.433 2.440 40 0 DEABHN CN1CCN(C(=O)OCc2ccccc2)C[C@@H]1CN1CCCC1 ZINC000021982834 182301612 /nfs/dbraw/zinc/30/16/12/182301612.db2.gz CJZXOTZBKJCQRM-KRWDZBQOSA-N 0 3 317.433 2.035 40 0 DEABHN CN1C(=O)c2ccccc2O[C@H]2CN(CC3CCCC3)C[C@H]21 ZINC000514290116 257215282 /nfs/dbraw/zinc/21/52/82/257215282.db2.gz SDQVFBVKYUPCQE-WBVHZDCISA-N 0 3 300.402 2.394 40 0 biogenic,in-vitro DEABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1C ZINC000006953138 401734487 /nfs/dbraw/zinc/73/44/87/401734487.db2.gz GESQDCNOPKKQJN-GFCCVEGCSA-N 0 3 323.824 2.187 40 0 DEABHN O=C(O[C@@H]1CN2CCC1CC2)[C@@](O)(Cc1ccccc1)C1CC1 ZINC000001640683 401709042 /nfs/dbraw/zinc/70/90/42/401709042.db2.gz CFCSBBISFREYTC-IEBWSBKVSA-N 0 3 315.413 2.008 40 0 DEABHN COc1ccc2nc(NC(CN(C)C)CN(C)C)ccc2c1 ZINC000001596766 401709100 /nfs/dbraw/zinc/70/91/00/401709100.db2.gz WHDHZNZIZJZPMF-UHFFFAOYSA-N 0 3 302.422 2.147 40 0 DEABHN OCCN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072343738 401709210 /nfs/dbraw/zinc/70/92/10/401709210.db2.gz FJFHBKGXFIOJLX-AWEZNQCLSA-N 0 3 301.365 2.454 40 0 DEABHN COc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1OC ZINC000009876564 401766097 /nfs/dbraw/zinc/76/60/97/401766097.db2.gz YEFZHVOUGJSOPY-LBPRGKRZSA-N 0 3 323.462 2.332 40 0 DEABHN O=C(c1ncoc1-c1ccc(F)cc1)N1CCN2CCC[C@@H]2C1 ZINC000012145536 401780621 /nfs/dbraw/zinc/78/06/21/401780621.db2.gz ACJLNOVQJDBYAL-CQSZACIVSA-N 0 3 315.348 2.401 40 0 DEABHN COCCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 ZINC000096046504 402050094 /nfs/dbraw/zinc/05/00/94/402050094.db2.gz GFRWLQZWFKRBOI-GOSISDBHSA-N 0 3 320.408 2.287 40 0 DEABHN c1cncc(COC[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CC2)c1 ZINC000096055314 402052431 /nfs/dbraw/zinc/05/24/31/402052431.db2.gz NWFXXZXNVXZXAQ-RCCFBDPRSA-N 0 3 302.418 2.488 40 0 DEABHN c1coc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC000096055022 402052511 /nfs/dbraw/zinc/05/25/11/402052511.db2.gz ADWRFSHBGVCHRA-WMZOPIPTSA-N 0 3 313.401 2.150 40 0 DEABHN c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CC2)c1 ZINC000096055316 402052768 /nfs/dbraw/zinc/05/27/68/402052768.db2.gz NWFXXZXNVXZXAQ-OKZBNKHCSA-N 0 3 302.418 2.488 40 0 DEABHN c1cc(CN2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)co1 ZINC000096057921 402053537 /nfs/dbraw/zinc/05/35/37/402053537.db2.gz XWRCJFTVSNUEPF-RCCFBDPRSA-N 0 3 320.433 2.124 40 0 DEABHN CC(C)COC[C@@H]1CN(CCN2CCCC2)Cc2ncn(C)c21 ZINC000096068633 402056268 /nfs/dbraw/zinc/05/62/68/402056268.db2.gz XUYOIFBULZRDLY-INIZCTEOSA-N 0 3 320.481 2.088 40 0 DEABHN c1csc(CN2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 ZINC000096072748 402056381 /nfs/dbraw/zinc/05/63/81/402056381.db2.gz HGXPZIRZDGMRHM-BBRMVZONSA-N 0 3 316.430 2.384 40 0 DEABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1C ZINC000096261398 402075694 /nfs/dbraw/zinc/07/56/94/402075694.db2.gz BWGJXZJKYYMHLM-UWWQBHOKSA-N 0 3 315.392 2.297 40 0 DEABHN c1cc(CN2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)cs1 ZINC000107713094 402239136 /nfs/dbraw/zinc/23/91/36/402239136.db2.gz NNPIXIRCJRWOOW-BBWFWOEESA-N 0 3 322.474 2.060 40 0 DEABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)N2CCCC2)C1 ZINC000108530566 402256272 /nfs/dbraw/zinc/25/62/72/402256272.db2.gz USZPFIYGXKAXFQ-FUHWJXTLSA-N 0 3 316.449 2.035 40 0 DEABHN OC1(c2csc(CN3CCC3)n2)CCN(CC2CC2)CC1 ZINC000225421946 402317107 /nfs/dbraw/zinc/31/71/07/402317107.db2.gz IXJBNQKZMGKXFX-UHFFFAOYSA-N 0 3 307.463 2.042 40 0 biogenic,in-vitro DEABHN CC(C)CN1CCC(O)(c2csc(CN3CCC3)n2)CC1 ZINC000225421764 402317457 /nfs/dbraw/zinc/31/74/57/402317457.db2.gz NWRRHLSFEVSXQF-UHFFFAOYSA-N 0 3 309.479 2.288 40 0 biogenic,in-vitro DEABHN CCc1nccn1CCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000257224732 402705627 /nfs/dbraw/zinc/70/56/27/402705627.db2.gz FDBQGAHRIXPNPJ-MRXNPFEDSA-N 0 3 312.417 2.009 40 0 DEABHN CCc1nccn1CCC(=O)N1CCC[C@H](c2[nH]ncc2C)C1 ZINC000257231962 402706164 /nfs/dbraw/zinc/70/61/64/402706164.db2.gz GIVMAGLODBWINU-AWEZNQCLSA-N 0 3 315.421 2.273 40 0 DEABHN COCCN1CCC[C@@H](c2cncc(-c3nc(C)c[nH]3)n2)C1 ZINC000257231330 402706469 /nfs/dbraw/zinc/70/64/69/402706469.db2.gz GGFKBNFNWJAVAG-CYBMUJFWSA-N 0 3 301.394 2.001 40 0 DEABHN O=C(NCCN1CCCC1)c1cccnc1-c1cncs1 ZINC000257249204 402707946 /nfs/dbraw/zinc/70/79/46/402707946.db2.gz JHHFJLWGLNUXSP-UHFFFAOYSA-N 0 3 302.403 2.031 40 0 DEABHN CCN1CC[C@@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@@H]12 ZINC000306129725 527811597 /nfs/dbraw/zinc/81/15/97/527811597.db2.gz ILBFFHGIWYITEZ-AEFFLSMTSA-N 0 3 301.434 2.406 40 0 DEABHN CC(C)N(C[C@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411137 185170063 /nfs/dbraw/zinc/17/00/63/185170063.db2.gz DYPVAJXRYQKNMC-KRWDZBQOSA-N 0 3 320.433 2.348 40 0 DEABHN CCN(CC1CCN(CCO)CC1)C(=O)OCc1ccccc1 ZINC000079411075 185170157 /nfs/dbraw/zinc/17/01/57/185170157.db2.gz OPGILNBMAGIJKZ-UHFFFAOYSA-N 0 3 320.433 2.349 40 0 DEABHN O=C(OCc1ccccc1)N1CCC[C@H](N(CCO)C2CC2)C1 ZINC000079391742 185168479 /nfs/dbraw/zinc/16/84/79/185168479.db2.gz OISJMILIJKPZRF-KRWDZBQOSA-N 0 3 318.417 2.244 40 0 DEABHN CCCCN1CCC[C@@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 ZINC000585101145 357333294 /nfs/dbraw/zinc/33/32/94/357333294.db2.gz IUAYWYNMZQBZNB-CYBMUJFWSA-N 0 3 321.343 2.076 40 0 DEABHN CC(C)N1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585105007 357334126 /nfs/dbraw/zinc/33/41/26/357334126.db2.gz XTXCMCOKJVQYED-KRWDZBQOSA-N 0 3 306.381 2.289 40 0 DEABHN O[C@@]1(COc2ccc(Cl)cc2)COCCN(C2CCC2)C1 ZINC000585280867 357343708 /nfs/dbraw/zinc/34/37/08/357343708.db2.gz AZHYYWZVOFPJIA-MRXNPFEDSA-N 0 3 311.809 2.335 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1cccs1 ZINC000019286377 182112404 /nfs/dbraw/zinc/11/24/04/182112404.db2.gz TYXOECIHPVJNOM-NWDGAFQWSA-N 0 3 301.415 2.272 40 0 DEABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1cccs1 ZINC000019286377 182112405 /nfs/dbraw/zinc/11/24/05/182112405.db2.gz TYXOECIHPVJNOM-NWDGAFQWSA-N 0 3 301.415 2.272 40 0 DEABHN CCn1nc(C(C)C)cc1C(=O)NCCN1CCC(C)CC1 ZINC000019524128 182128268 /nfs/dbraw/zinc/12/82/68/182128268.db2.gz AHJVZCKOINBFFM-UHFFFAOYSA-N 0 3 306.454 2.488 40 0 DEABHN CN1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)ncc2C1 ZINC000019590558 182132088 /nfs/dbraw/zinc/13/20/88/182132088.db2.gz LTHALAYGZXLVBN-KRWDZBQOSA-N 0 3 322.412 2.442 40 0 DEABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1 ZINC000019588690 182132565 /nfs/dbraw/zinc/13/25/65/182132565.db2.gz KZJJUCAWRKVMCO-MRXNPFEDSA-N 0 3 323.444 2.239 40 0 DEABHN Cc1c(CN2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cnn1C ZINC000019746710 182142193 /nfs/dbraw/zinc/14/21/93/182142193.db2.gz OGCJNGYKRXIVSZ-GOSISDBHSA-N 0 3 318.465 2.389 40 0 DEABHN CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](O)(CN)c1ccccc1 ZINC000072207949 257128378 /nfs/dbraw/zinc/12/83/78/257128378.db2.gz ZFTLPBPZBWLJAC-YOEHRIQHSA-N 0 3 308.422 2.382 40 0 DEABHN CCCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289657 257215394 /nfs/dbraw/zinc/21/53/94/257215394.db2.gz ASCVCTPLFOXQCK-JENIJYKNSA-N 0 3 316.445 2.489 40 0 biogenic,in-vitro DEABHN COc1ccc2cc(CN3CC[C@H](CO)C3)c(OC)nc2c1 ZINC000012118292 401779959 /nfs/dbraw/zinc/77/99/59/401779959.db2.gz LHWAEPDUWJGDSY-LBPRGKRZSA-N 0 3 302.374 2.066 40 0 DEABHN COc1ccc(N2C(=O)C[C@H](NC3CCC(C)CC3)C2=O)cc1 ZINC000017746971 401820829 /nfs/dbraw/zinc/82/08/29/401820829.db2.gz RLKIPKNDFSNFRW-ZUEPYMLJSA-N 0 3 316.401 2.495 40 0 DEABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCC1 ZINC000022587052 401826959 /nfs/dbraw/zinc/82/69/59/401826959.db2.gz GUFSPRZYMMTPOY-RVKKMQEKSA-N 0 3 307.482 2.003 40 0 DEABHN Cn1cc(CN2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)cn1 ZINC000096106953 402059183 /nfs/dbraw/zinc/05/91/83/402059183.db2.gz XYOUJKFEXQWXFX-QGZVFWFLSA-N 0 3 319.449 2.360 40 0 DEABHN Fc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccn2)COC1 ZINC000096112727 402060388 /nfs/dbraw/zinc/06/03/88/402060388.db2.gz MSWOXLVUOGGVQH-AWEZNQCLSA-N 0 3 312.348 2.432 40 0 biogenic,in-vitro DEABHN CN(C)C(=O)[C@@H]1C[C@@]2(CO1)CCCN(Cc1cccs1)C2 ZINC000096048882 402051206 /nfs/dbraw/zinc/05/12/06/402051206.db2.gz OZCJGGOLIJLVBT-HOCLYGCPSA-N 0 3 308.447 2.207 40 0 DEABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccsc3)C2)O1 ZINC000096052279 402051722 /nfs/dbraw/zinc/05/17/22/402051722.db2.gz NOVMIMVTLUHJPV-HOTGVXAUSA-N 0 3 310.463 2.060 40 0 DEABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1 ZINC000096052286 402051822 /nfs/dbraw/zinc/05/18/22/402051822.db2.gz RQVPTTITIYOFHS-QZTJIDSGSA-N 0 3 322.424 2.137 40 0 DEABHN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C)s1 ZINC000096056488 402052742 /nfs/dbraw/zinc/05/27/42/402052742.db2.gz MHJJTSUEZVZKFI-HUUCEWRRSA-N 0 3 308.447 2.268 40 0 DEABHN Cc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@@H]32)o1 ZINC000096055205 402052936 /nfs/dbraw/zinc/05/29/36/402052936.db2.gz AUVLPZCVMAQXIR-BPQIPLTHSA-N 0 3 322.449 2.146 40 0 DEABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccccc3F)C2)C1 ZINC000096228884 402072687 /nfs/dbraw/zinc/07/26/87/402072687.db2.gz WTKMIOVSUGDRDF-GOSISDBHSA-N 0 3 320.408 2.400 40 0 DEABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)o1 ZINC000096245562 402074239 /nfs/dbraw/zinc/07/42/39/402074239.db2.gz HMANMJYMTFODIK-IYBDPMFKSA-N 0 3 311.385 2.187 40 0 DEABHN c1nnc(N2CC[C@@H]3[C@@H]2CCN3CCc2ccccc2)s1 ZINC000096184893 402065207 /nfs/dbraw/zinc/06/52/07/402065207.db2.gz INDVBTIEZQAKKU-CABCVRRESA-N 0 3 300.431 2.434 40 0 DEABHN OCCN(CCO)Cc1ccc(COc2ccccc2)cc1 ZINC000068606167 402202328 /nfs/dbraw/zinc/20/23/28/402202328.db2.gz FHYGBXUQAQMKII-UHFFFAOYSA-N 0 3 301.386 2.052 40 0 DEABHN Cc1nccc(CN2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)n1 ZINC000257252355 402708966 /nfs/dbraw/zinc/70/89/66/402708966.db2.gz JUNMIWXMLWFFGR-FHLIZLRMSA-N 0 3 310.401 2.469 40 0 DEABHN CC(C)N1CCC[C@@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257205643 402703222 /nfs/dbraw/zinc/70/32/22/402703222.db2.gz AZZPNVAMGBKPLH-CQSZACIVSA-N 0 3 304.438 2.163 40 0 DEABHN OCCNCc1cc(Br)ccc1Oc1ncccn1 ZINC000575424323 406810499 /nfs/dbraw/zinc/81/04/99/406810499.db2.gz YXYKDDLKGIIVKU-UHFFFAOYSA-N 0 3 324.178 2.113 40 0 DEABHN CO[C@H]1CCN(CC2CC2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096206314 274080113 /nfs/dbraw/zinc/08/01/13/274080113.db2.gz VWYJKYSQMGTZKH-KSZLIROESA-N 0 3 301.434 2.013 40 0 DEABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1cscn1 ZINC000072394835 276808297 /nfs/dbraw/zinc/80/82/97/276808297.db2.gz AITQAUQGWDTSHZ-ZDUSSCGKSA-N 0 3 317.414 2.108 40 0 DEABHN CN1CC[C@@](O)(c2ccccc2)[C@H](CCC(=O)N2CCCC2)C1 ZINC000001706797 290184012 /nfs/dbraw/zinc/18/40/12/290184012.db2.gz HEPIYVBFOFFFNE-IEBWSBKVSA-N 0 3 316.445 2.229 40 0 DEABHN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2nc[n-]n2)o1 ZINC000072324540 191123462 /nfs/dbraw/zinc/12/34/62/191123462.db2.gz UVXMCCQSGADFPI-NWDGAFQWSA-N 0 3 319.434 2.217 40 0 DEABHN C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(Sc2nc[n-]n2)o1 ZINC000072324540 191123466 /nfs/dbraw/zinc/12/34/66/191123466.db2.gz UVXMCCQSGADFPI-NWDGAFQWSA-N 0 3 319.434 2.217 40 0 DEABHN CC1CCN(C(=O)c2cnc(C[C@@H]3CCCN(C)C3)cn2)CC1 ZINC000072387199 191145132 /nfs/dbraw/zinc/14/51/32/191145132.db2.gz PZWJUJPTMUHPAT-HNNXBMFYSA-N 0 3 316.449 2.233 40 0 DEABHN Cc1ccccc1OC[C@@]1(O)COCCN(C2CCCC2)C1 ZINC000585277820 357343213 /nfs/dbraw/zinc/34/32/13/357343213.db2.gz YDUGWMUEWWWTNW-SFHVURJKSA-N 0 3 305.418 2.380 40 0 DEABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)CN1Cc1cccc(F)c1 ZINC000585292200 357346157 /nfs/dbraw/zinc/34/61/57/357346157.db2.gz FWWFUKMTSQWBPV-KZNAEPCWSA-N 0 3 319.351 2.286 40 0 DEABHN Cc1noc(C)c1-c1ccc([C@H]2CCCN2CCC(N)=O)nc1 ZINC000257279013 203009187 /nfs/dbraw/zinc/00/91/87/203009187.db2.gz OEPMMRSLTMVWDO-OAHLLOKOSA-N 0 3 314.389 2.366 40 0 DEABHN O=C(NCCN1CCCCC1)c1cccnc1-c1cncs1 ZINC000257282526 203010666 /nfs/dbraw/zinc/01/06/66/203010666.db2.gz OUBSNTSVFLULOH-UHFFFAOYSA-N 0 3 316.430 2.421 40 0 DEABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079409749 284193417 /nfs/dbraw/zinc/19/34/17/284193417.db2.gz JPXOSCKLCVIHBC-YNEHKIRRSA-N 0 3 313.442 2.018 40 0 DEABHN CN1CCN(CCCNC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000022829315 182335883 /nfs/dbraw/zinc/33/58/83/182335883.db2.gz OKWDXIQYTHOVHG-BQYQJAHWSA-N 0 3 321.852 2.107 40 0 DEABHN OCc1ccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)o1 ZINC000049169491 402013128 /nfs/dbraw/zinc/01/31/28/402013128.db2.gz TVZHKMQARUAFOT-NSHDSACASA-N 0 3 315.329 2.404 40 0 biogenic,in-vitro DEABHN CN1CCO[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@@H]2C1 ZINC000096107953 402059749 /nfs/dbraw/zinc/05/97/49/402059749.db2.gz HDYLPVAWWZSSCR-GOEBONIOSA-N 0 3 322.836 2.062 40 0 DEABHN Cn1cc(CN2C[C@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110648 402060448 /nfs/dbraw/zinc/06/04/48/402060448.db2.gz VKKQHANJDGATJF-CALCHBBNSA-N 0 3 314.408 2.123 40 0 DEABHN CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 ZINC000096038552 402048072 /nfs/dbraw/zinc/04/80/72/402048072.db2.gz HQZSSAONFCUARV-JKSUJKDBSA-N 0 3 321.852 2.190 40 0 DEABHN O=C(NCC1CC1)[C@H]1CN(Cc2ccco2)CC12CCOCC2 ZINC000096052121 402051744 /nfs/dbraw/zinc/05/17/44/402051744.db2.gz PDHQGBBTCBOBJU-MRXNPFEDSA-N 0 3 318.417 2.034 40 0 DEABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC000096053923 402052470 /nfs/dbraw/zinc/05/24/70/402052470.db2.gz IJLOLRJWONVDFE-RYUDHWBXSA-N 0 3 319.455 2.409 40 0 DEABHN O=C1[C@H]2CN(Cc3ccco3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054629 402052557 /nfs/dbraw/zinc/05/25/57/402052557.db2.gz MIVBVZHXMYGIHD-RDJZCZTQSA-N 0 3 311.385 2.155 40 0 DEABHN O=C(NCC1CC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057316 402053187 /nfs/dbraw/zinc/05/31/87/402053187.db2.gz DQXAIRXHUSQZRP-OAGGEKHMSA-N 0 3 320.458 2.396 40 0 DEABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21)N1CCCC1 ZINC000096058262 402054095 /nfs/dbraw/zinc/05/40/95/402054095.db2.gz LHUZBCSVBHBHBT-IXDOHACOSA-N 0 3 318.417 2.129 40 0 DEABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cccs3)CC2)O1 ZINC000096061121 402054812 /nfs/dbraw/zinc/05/48/12/402054812.db2.gz UAUXTIXIFPNDSU-CQSZACIVSA-N 0 3 308.447 2.350 40 0 DEABHN Cc1ccc(CN2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)o1 ZINC000096061131 402055027 /nfs/dbraw/zinc/05/50/27/402055027.db2.gz FSUQSDQSPGMOCI-HNNXBMFYSA-N 0 3 306.406 2.190 40 0 DEABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccc(C)s1)CC2 ZINC000096206138 402069013 /nfs/dbraw/zinc/06/90/13/402069013.db2.gz MJKLAZKBHBKDHS-AWEZNQCLSA-N 0 3 308.447 2.031 40 0 DEABHN O=C1CCCN1[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096209544 402070273 /nfs/dbraw/zinc/07/02/73/402070273.db2.gz FNXRXHLIJIPFPX-WMLDXEAASA-N 0 3 320.458 2.494 40 0 DEABHN Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)s1 ZINC000096215367 402070290 /nfs/dbraw/zinc/07/02/90/402070290.db2.gz PGWWKKMURCTZFV-JGGQBBKZSA-N 0 3 320.458 2.315 40 0 DEABHN COCCN1CCCC[C@]12CC(=O)N(c1ccccc1OC)C2 ZINC000096217294 402071073 /nfs/dbraw/zinc/07/10/73/402071073.db2.gz WGJDCVRMFSAGCJ-GOSISDBHSA-N 0 3 318.417 2.303 40 0 DEABHN COCCN1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 ZINC000096228176 402072566 /nfs/dbraw/zinc/07/25/66/402072566.db2.gz BFHXCBDIZPTCED-UHFFFAOYSA-N 0 3 323.462 2.055 40 0 DEABHN O=C(c1ccsc1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096226181 402072612 /nfs/dbraw/zinc/07/26/12/402072612.db2.gz MKGDTKAXIQRUPV-UHFFFAOYSA-N 0 3 320.458 2.465 40 0 DEABHN CCN1CCN(C)C(=O)C12CCN(Cc1cccc(C)c1)CC2 ZINC000096230253 402073243 /nfs/dbraw/zinc/07/32/43/402073243.db2.gz VFUAGJZKNLPVOW-UHFFFAOYSA-N 0 3 315.461 2.124 40 0 DEABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1 ZINC000096261567 402076149 /nfs/dbraw/zinc/07/61/49/402076149.db2.gz JXFOXNNPOTYHLB-UVBSCNOISA-N 0 3 315.392 2.345 40 0 DEABHN Cc1cc(C)cc(CN2CC[C@@H]3[C@@H]2CCN3CC(=O)N(C)C)c1 ZINC000096184384 402064966 /nfs/dbraw/zinc/06/49/66/402064966.db2.gz QJHNUBDWESFBLO-ZWKOTPCHSA-N 0 3 315.461 2.040 40 0 DEABHN Cc1cc(C)cc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)c1 ZINC000096187382 402066208 /nfs/dbraw/zinc/06/62/08/402066208.db2.gz CJKUYJZPWIVDBB-UHFFFAOYSA-N 0 3 312.417 2.287 40 0 DEABHN c1cnn(Cc2cnc3n2CCN(Cc2cccs2)CC3)c1 ZINC000096196931 402067593 /nfs/dbraw/zinc/06/75/93/402067593.db2.gz SPSAMEYVYALYCU-UHFFFAOYSA-N 0 3 313.430 2.248 40 0 DEABHN COc1ccc2c3c1O[C@@H]1C(OC)=CC=C4[C@H](C2)N(C)CC[C@]341 ZINC000066407652 402133109 /nfs/dbraw/zinc/13/31/09/402133109.db2.gz FQXXSQDCDRQNQE-MJXNMMHHSA-N 0 3 311.381 2.425 40 0 biogenic,in-man DEABHN Cc1noc(C)c1CN1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000097971510 402133879 /nfs/dbraw/zinc/13/38/79/402133879.db2.gz CKMRADMOARYKNR-HZPDHXFCSA-N 0 3 312.417 2.250 40 0 DEABHN CN1CCC(NC(=O)Cc2cccc(Br)c2)CC1 ZINC000123914258 402153671 /nfs/dbraw/zinc/15/36/71/402153671.db2.gz PDFAZPWYUOPDBG-UHFFFAOYSA-N 0 3 311.223 2.202 40 0 DEABHN Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccccc2)cn1 ZINC000107206016 402227364 /nfs/dbraw/zinc/22/73/64/402227364.db2.gz OPOKKTCNIBMNCF-IAGOWNOFSA-N 0 3 310.401 2.190 40 0 DEABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 ZINC000107728866 402239523 /nfs/dbraw/zinc/23/95/23/402239523.db2.gz HELMIZKCOVWXMQ-RHSMWYFYSA-N 0 3 314.389 2.224 40 0 DEABHN Cc1cc(C)n2ncc(CN3CCNC[C@H]3c3ccccc3)c2n1 ZINC000257224281 402705790 /nfs/dbraw/zinc/70/57/90/402705790.db2.gz FBCUBIQFCHUZLI-SFHVURJKSA-N 0 3 321.428 2.493 40 0 DEABHN Cc1cc2nccc(C3CCN(Cc4cnn(C)c4C)CC3)n2n1 ZINC000257247951 402708177 /nfs/dbraw/zinc/70/81/77/402708177.db2.gz JBHTZZMGYLOMPU-UHFFFAOYSA-N 0 3 324.432 2.459 40 0 DEABHN CCN1C(=O)CC[C@@H]2N(Cc3c[nH]nc3C)CCCC[C@@]21C ZINC000257249838 402708384 /nfs/dbraw/zinc/70/83/84/402708384.db2.gz JJYXENHPUZGEGF-RDJZCZTQSA-N 0 3 304.438 2.474 40 0 DEABHN CCc1nccn1CC(=O)N1CCCC[C@@H]1c1[nH]ncc1C ZINC000257343141 402712306 /nfs/dbraw/zinc/71/23/06/402712306.db2.gz ZRQPKROIPLDVPC-CYBMUJFWSA-N 0 3 301.394 2.231 40 0 DEABHN c1cc2n(c1)C[C@@H](Oc1cccnc1)CN(C1CCOCC1)C2 ZINC000253588686 402669151 /nfs/dbraw/zinc/66/91/51/402669151.db2.gz ODYUUNHPZHDVPT-GOSISDBHSA-N 0 3 313.401 2.325 40 0 DEABHN O=C([O-])CN1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416263 185170934 /nfs/dbraw/zinc/17/09/34/185170934.db2.gz JIOQAJQKQSCWIE-INIZCTEOSA-N 0 3 302.418 2.448 40 0 DEABHN O=C([O-])CN1CCC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416263 185170935 /nfs/dbraw/zinc/17/09/35/185170935.db2.gz JIOQAJQKQSCWIE-INIZCTEOSA-N 0 3 302.418 2.448 40 0 DEABHN O=C(C1CCC1)N1CCNC[C@H](COCc2ccccc2)C1 ZINC000072354481 191128890 /nfs/dbraw/zinc/12/88/90/191128890.db2.gz BFJLFLADFHTRKV-INIZCTEOSA-N 0 3 302.418 2.051 40 0 DEABHN Cc1nc([C@H]2CCCN(CCc3ccccc3)C2)ncc1C(N)=O ZINC000072351991 191128464 /nfs/dbraw/zinc/12/84/64/191128464.db2.gz VWRZMUGFDUKOOL-INIZCTEOSA-N 0 3 324.428 2.306 40 0 DEABHN CCc1nccn1-c1cccc([C@@H]2CCCN(CCO)C2)n1 ZINC000072355674 191130640 /nfs/dbraw/zinc/13/06/40/191130640.db2.gz AKPQOEUQKKRGED-CQSZACIVSA-N 0 3 300.406 2.001 40 0 DEABHN Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072366977 191136909 /nfs/dbraw/zinc/13/69/09/191136909.db2.gz ACKYXISJBYYXGL-OAHLLOKOSA-N 0 3 318.465 2.394 40 0 DEABHN Cc1cccc(-c2cc(CNC[C@@H]3CCCO3)c3nnnn3c2)c1 ZINC000072392683 191149568 /nfs/dbraw/zinc/14/95/68/191149568.db2.gz NFGJGANBIMNZLG-KRWDZBQOSA-N 0 3 323.400 2.368 40 0 DEABHN CCn1cc(CN2CCC3(CC2)OCC[C@H]3CCOC)cn1 ZINC000585105500 357334207 /nfs/dbraw/zinc/33/42/07/357334207.db2.gz YDSDGFKEVABEMH-MRXNPFEDSA-N 0 3 307.438 2.311 40 0 DEABHN CC(C)N1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104868 357334412 /nfs/dbraw/zinc/33/44/12/357334412.db2.gz WFNCSSBRSNSUCW-SFHVURJKSA-N 0 3 302.418 2.146 40 0 DEABHN COCCN1CCC[C@@H](c2cn3cccc3c(N(C)C)n2)C1 ZINC000257329200 203052145 /nfs/dbraw/zinc/05/21/45/203052145.db2.gz XIWZQHNQVMDORP-CQSZACIVSA-N 0 3 302.422 2.226 40 0 DEABHN O=C(c1ccccc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019368912 182120322 /nfs/dbraw/zinc/12/03/22/182120322.db2.gz PLGMINNTBCQGAT-INIZCTEOSA-N 0 3 308.385 2.100 40 0 DEABHN CN(CCN1CCCCC1)C(=O)c1cc(-c2ccccn2)n[nH]1 ZINC000019717598 182137213 /nfs/dbraw/zinc/13/72/13/182137213.db2.gz OKXCFFBMCPRILI-UHFFFAOYSA-N 0 3 313.405 2.030 40 0 DEABHN OCCN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072343737 401708942 /nfs/dbraw/zinc/70/89/42/401708942.db2.gz FJFHBKGXFIOJLX-CQSZACIVSA-N 0 3 301.365 2.454 40 0 DEABHN CC[C@@H](OC[C@H](O)CN1CCN(CC)CC1)c1ccccc1 ZINC000022030791 401826391 /nfs/dbraw/zinc/82/63/91/401826391.db2.gz VSEBAVWJBVADMN-QZTJIDSGSA-N 0 3 306.450 2.153 40 0 DEABHN COc1cc(CNC(C)(C)C)c(Cl)cc1OCC(N)=O ZINC000036612311 401905882 /nfs/dbraw/zinc/90/58/82/401905882.db2.gz PMKVEEHSKXABDN-UHFFFAOYSA-N 0 3 300.786 2.101 40 0 DEABHN c1coc(CN2C[C@@H]3COC[C@]3(COCc3cccnc3)C2)c1 ZINC000096108863 402059672 /nfs/dbraw/zinc/05/96/72/402059672.db2.gz JVJRLCZMOXQCOC-SJLPKXTDSA-N 0 3 314.385 2.340 40 0 DEABHN Cn1cc(CN2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096110649 402060419 /nfs/dbraw/zinc/06/04/19/402060419.db2.gz VKKQHANJDGATJF-IAGOWNOFSA-N 0 3 314.408 2.123 40 0 DEABHN COc1ccc(CNC[C@H]2COCc3nc4ccccc4n32)cn1 ZINC000096112715 402060494 /nfs/dbraw/zinc/06/04/94/402060494.db2.gz AIQGTMBVOFGPNA-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C2CCC2)C3)n1 ZINC000096110465 402060572 /nfs/dbraw/zinc/06/05/72/402060572.db2.gz BCFXBKUBUSDVGG-WBVHZDCISA-N 0 3 303.406 2.197 40 0 DEABHN Cn1cc(N2CC[C@]3(CCCN(Cc4ccco4)C3)C2=O)cn1 ZINC000096048776 402050938 /nfs/dbraw/zinc/05/09/38/402050938.db2.gz UXBHKTUFCMRIBR-KRWDZBQOSA-N 0 3 314.389 2.032 40 0 DEABHN Cn1cc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cn1 ZINC000096047775 402051313 /nfs/dbraw/zinc/05/13/13/402051313.db2.gz QTCNDROZUHLWOC-QGZVFWFLSA-N 0 3 312.417 2.354 40 0 DEABHN Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)s1 ZINC000096057470 402053255 /nfs/dbraw/zinc/05/32/55/402053255.db2.gz GUPGIOWPJQVQDN-RBSFLKMASA-N 0 3 308.447 2.267 40 0 DEABHN O=C([C@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCC1 ZINC000096061220 402054870 /nfs/dbraw/zinc/05/48/70/402054870.db2.gz KQAUZWPGFLSHFW-MRXNPFEDSA-N 0 3 318.417 2.416 40 0 DEABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096061134 402055109 /nfs/dbraw/zinc/05/51/09/402055109.db2.gz CGOJBMXTSOEDIP-INIZCTEOSA-N 0 3 320.408 2.428 40 0 DEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096064980 402055918 /nfs/dbraw/zinc/05/59/18/402055918.db2.gz IHXWMLCYEYRLKV-MSOLQXFVSA-N 0 3 319.401 2.433 40 0 DEABHN CC[C@H]1N(Cc2ccc3c(c2)OCO3)CCC[C@]12CCC(=O)N2 ZINC000096070413 402056632 /nfs/dbraw/zinc/05/66/32/402056632.db2.gz IRCZAABQTLDAET-AEFFLSMTSA-N 0 3 316.401 2.439 40 0 DEABHN COCCN1C(=O)CCC12CCC(NCc1nccs1)CC2 ZINC000096075837 402057149 /nfs/dbraw/zinc/05/71/49/402057149.db2.gz UMVVZQSHAOLSBM-UHFFFAOYSA-N 0 3 323.462 2.183 40 0 DEABHN CO[C@@H]1CCN(CC2CC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096205894 402068684 /nfs/dbraw/zinc/06/86/84/402068684.db2.gz QPRPFIMMKKWKRV-RCCFBDPRSA-N 0 3 301.434 2.013 40 0 DEABHN COC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1C ZINC000225799911 402323808 /nfs/dbraw/zinc/32/38/08/402323808.db2.gz JSILBARJHDOJCB-UHFFFAOYSA-N 0 3 321.446 2.162 40 0 DEABHN Fc1cccnc1O[C@H]1CSC2(CN(C3CCOCC3)C2)C1 ZINC000247538565 402571831 /nfs/dbraw/zinc/57/18/31/402571831.db2.gz RJJAJWGQDAYBEX-CYBMUJFWSA-N 0 3 324.421 2.338 40 0 DEABHN CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000252518068 402658051 /nfs/dbraw/zinc/65/80/51/402658051.db2.gz YZKQBYNYTQCHEH-AVGNSLFASA-N 0 3 313.442 2.018 40 0 DEABHN Cc1nc[nH]c1CN1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 ZINC000257208259 402703327 /nfs/dbraw/zinc/70/33/27/402703327.db2.gz BLJFNYKLKUHVLD-CQSZACIVSA-N 0 3 310.405 2.379 40 0 DEABHN CCn1nc(C)c(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1C ZINC000257210952 402703969 /nfs/dbraw/zinc/70/39/69/402703969.db2.gz BWWBYGZWKXFANV-IRXDYDNUSA-N 0 3 307.438 2.290 40 0 DEABHN Cc1ccc(CC(=O)NCc2c[nH]c([C@@H]3CCN(C)C3)n2)s1 ZINC000257237761 402706929 /nfs/dbraw/zinc/70/69/29/402706929.db2.gz HIBDPCIJNHIGPR-GFCCVEGCSA-N 0 3 318.446 2.058 40 0 DEABHN CNc1ccc(C[C@H]2CCCN(Cc3cnn(C)c3C)C2)nn1 ZINC000257250490 402709033 /nfs/dbraw/zinc/70/90/33/402709033.db2.gz JMSQAWHTGKQUII-CQSZACIVSA-N 0 3 314.437 2.015 40 0 DEABHN c1cc2n(c1)C[C@H](Oc1cccnc1)CN(C1CCOCC1)C2 ZINC000253588687 402669303 /nfs/dbraw/zinc/66/93/03/402669303.db2.gz ODYUUNHPZHDVPT-SFHVURJKSA-N 0 3 313.401 2.325 40 0 DEABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2cccc(F)c2)C1 ZINC000256007467 402699486 /nfs/dbraw/zinc/69/94/86/402699486.db2.gz VRYSCJWEGYNXBY-HUUCEWRRSA-N 0 3 323.412 2.425 40 0 DEABHN c1ccc(CN2CCC3(CCN(c4ncccn4)C3)CC2)nc1 ZINC000096046598 275066870 /nfs/dbraw/zinc/06/68/70/275066870.db2.gz OTXDSLBWZUPUOP-UHFFFAOYSA-N 0 3 309.417 2.364 40 0 DEABHN CN(C)C[C@H]1COCCN1C(=O)C1(c2cccs2)CCCC1 ZINC000085470201 289218498 /nfs/dbraw/zinc/21/84/98/289218498.db2.gz CADBQSGMSLXANG-AWEZNQCLSA-N 0 3 322.474 2.349 40 0 DEABHN CC(C)N(C[C@H]1CCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411126 185169821 /nfs/dbraw/zinc/16/98/21/185169821.db2.gz DHKYQQHCVPCWDL-QGZVFWFLSA-N 0 3 320.433 2.490 40 0 DEABHN O=C(OCc1ccccc1)N(C1CC1)C1CCN(CCO)CC1 ZINC000079411272 185170083 /nfs/dbraw/zinc/17/00/83/185170083.db2.gz KBSJYSDJZSAVDO-UHFFFAOYSA-N 0 3 318.417 2.244 40 0 DEABHN CNC(=O)c1ccc([C@@H]2CCCN(C(C)C)C2)nc1N(C)C ZINC000072352896 191129041 /nfs/dbraw/zinc/12/90/41/191129041.db2.gz FALPXFKNNJQXJT-CYBMUJFWSA-N 0 3 304.438 2.095 40 0 DEABHN c1cn(-c2cncc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cn1 ZINC000072355438 191129415 /nfs/dbraw/zinc/12/94/15/191129415.db2.gz BTYSSYTUIZLRBG-MRXNPFEDSA-N 0 3 320.400 2.437 40 0 DEABHN Cc1nc(C2CC[NH+](CC3(O)CCCCC3)CC2)cc(=O)[n-]1 ZINC000072366719 191136422 /nfs/dbraw/zinc/13/64/22/191136422.db2.gz WHYYAUFYOZVCIK-UHFFFAOYSA-N 0 3 305.422 2.365 40 0 DEABHN Cn1nccc1CC1CCN(C(=O)[C@@]2(C)CCCCN2C)CC1 ZINC000072367368 191137578 /nfs/dbraw/zinc/13/75/78/191137578.db2.gz QQCJEUDTUHARMF-GOSISDBHSA-N 0 3 318.465 2.076 40 0 DEABHN COc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000072395116 191150144 /nfs/dbraw/zinc/15/01/44/191150144.db2.gz JJJAOMINIJVMJO-RHSMWYFYSA-N 0 3 302.374 2.339 40 0 DEABHN Cc1nnc([C@@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000581356287 357172452 /nfs/dbraw/zinc/17/24/52/357172452.db2.gz GBHPQZCYNJCUTL-CYBMUJFWSA-N 0 3 310.361 2.153 40 0 DEABHN Cc1nnc([C@H]2CCN(Cc3nc(-c4ccccc4)no3)C2)[nH]1 ZINC000581356288 357172976 /nfs/dbraw/zinc/17/29/76/357172976.db2.gz GBHPQZCYNJCUTL-ZDUSSCGKSA-N 0 3 310.361 2.153 40 0 DEABHN CCC[C@@H](C)N1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 ZINC000585099608 357332843 /nfs/dbraw/zinc/33/28/43/357332843.db2.gz SGKQGSAUJFFMBK-RDTXWAMCSA-N 0 3 317.433 2.003 40 0 DEABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(C(C)C)C2)C1 ZINC000585104379 357333960 /nfs/dbraw/zinc/33/39/60/357333960.db2.gz LGRRWOHKCLITCG-LJQANCHMSA-N 0 3 316.445 2.454 40 0 DEABHN O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccco3)CC2)O1 ZINC000096061158 283949127 /nfs/dbraw/zinc/94/91/27/283949127.db2.gz IGHJSQFWORPPKJ-MRXNPFEDSA-N 0 3 318.417 2.319 40 0 DEABHN COCCN1CCC2(C[C@H](N(C)c3ccccc3)CO2)CC1 ZINC000257310414 203034877 /nfs/dbraw/zinc/03/48/77/203034877.db2.gz UEZOOMGTNQSXRN-KRWDZBQOSA-N 0 3 304.434 2.393 40 0 DEABHN COc1ccccc1-c1ccccc1C[C@H]1CNCCNC1=O ZINC000019571852 182130985 /nfs/dbraw/zinc/13/09/85/182130985.db2.gz RJBYVLWQYWHAMV-HNNXBMFYSA-N 0 3 310.397 2.240 40 0 DEABHN COc1ccccc1-c1ccccc1C[C@@H]1CNCCNC1=O ZINC000019571849 182130997 /nfs/dbraw/zinc/13/09/97/182130997.db2.gz RJBYVLWQYWHAMV-OAHLLOKOSA-N 0 3 310.397 2.240 40 0 DEABHN COc1cc(C(=O)OCCN2CCCCC2)cc(OC)c1OC ZINC000000359264 401694793 /nfs/dbraw/zinc/69/47/93/401694793.db2.gz ZJXGIQFNKWWYQP-UHFFFAOYSA-N 0 3 323.389 2.355 40 0 DEABHN CC(C)N(C[C@@H]1CCCCN1CCO)C(=O)OC(C)(C)C ZINC000079408115 401873347 /nfs/dbraw/zinc/87/33/47/401873347.db2.gz FDDULIRXOXTDQS-AWEZNQCLSA-N 0 3 300.443 2.479 40 0 DEABHN c1coc(CN2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1 ZINC000096108984 402059435 /nfs/dbraw/zinc/05/94/35/402059435.db2.gz RMCUXFYGFYJXMI-QAPCUYQASA-N 0 3 314.385 2.340 40 0 DEABHN O=C1CCCN1[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040605 402049109 /nfs/dbraw/zinc/04/91/09/402049109.db2.gz VNFKLQXVGHQYBE-LXZKKBNFSA-N 0 3 320.458 2.350 40 0 DEABHN O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 ZINC000096043031 402049991 /nfs/dbraw/zinc/04/99/91/402049991.db2.gz LFWVHVDRZOCGHM-VBNZEHGJSA-N 0 3 320.458 2.396 40 0 DEABHN O=C(c1cccs1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053828 402051864 /nfs/dbraw/zinc/05/18/64/402051864.db2.gz CAUOMKYEGRQVSW-OKILXGFUSA-N 0 3 313.426 2.347 40 0 DEABHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096053754 402051916 /nfs/dbraw/zinc/05/19/16/402051916.db2.gz PJMNJSOEGZPWTM-HZPDHXFCSA-N 0 3 313.426 2.347 40 0 DEABHN Cc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096053992 402052420 /nfs/dbraw/zinc/05/24/20/402052420.db2.gz MVHKNHOVDSLGRA-KBPBESRZSA-N 0 3 300.431 2.415 40 0 DEABHN O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1 ZINC000096057656 402053380 /nfs/dbraw/zinc/05/33/80/402053380.db2.gz HGQVABQBBURZLI-NWANDNLSSA-N 0 3 306.431 2.006 40 0 DEABHN CCOC[C@@H]1CN(CC2CCOCC2)Cc2cn(CC)nc21 ZINC000096059924 402053945 /nfs/dbraw/zinc/05/39/45/402053945.db2.gz XQFQVBBLXBHYPM-INIZCTEOSA-N 0 3 307.438 2.265 40 0 DEABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(C)s1)CC2 ZINC000096206140 402069084 /nfs/dbraw/zinc/06/90/84/402069084.db2.gz MJKLAZKBHBKDHS-CQSZACIVSA-N 0 3 308.447 2.031 40 0 DEABHN Cn1cccc1CN1CCC2(C1)CCN(c1ncccn1)CC2 ZINC000096157678 402063267 /nfs/dbraw/zinc/06/32/67/402063267.db2.gz LKBIXHLSKBPRNL-UHFFFAOYSA-N 0 3 311.433 2.308 40 0 DEABHN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2N1C(C)C ZINC000096182628 402065453 /nfs/dbraw/zinc/06/54/53/402065453.db2.gz SRBJVBOJBCLYEK-BMFZPTHFSA-N 0 3 321.490 2.086 40 0 DEABHN COC[C@H]1C(=O)NCC12CCN(Cc1sccc1C)CC2 ZINC000096206166 402068645 /nfs/dbraw/zinc/06/86/45/402068645.db2.gz KPCBSLGWCALPBE-ZDUSSCGKSA-N 0 3 308.447 2.031 40 0 DEABHN COCCN1CC2(CCN(Cc3ccc(C)cc3)CC2)C1=O ZINC000096202835 402068710 /nfs/dbraw/zinc/06/87/10/402068710.db2.gz YZIWEWAXCNYFLJ-UHFFFAOYSA-N 0 3 302.418 2.066 40 0 DEABHN Cc1cccnc1CN1CCC2(CC(NC(=O)N(C)C)C2)C1 ZINC000108529948 402256328 /nfs/dbraw/zinc/25/63/28/402256328.db2.gz NISXABAQOIERCV-UHFFFAOYSA-N 0 3 302.422 2.016 40 0 DEABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223252131 402310345 /nfs/dbraw/zinc/31/03/45/402310345.db2.gz ODNXWUXNBOGPDB-GJZGRUSLSA-N 0 3 316.430 2.209 40 0 DEABHN Fc1cccnc1O[C@@H]1CSC2(CN(C3CCOCC3)C2)C1 ZINC000247538572 402571731 /nfs/dbraw/zinc/57/17/31/402571731.db2.gz RJJAJWGQDAYBEX-ZDUSSCGKSA-N 0 3 324.421 2.338 40 0 DEABHN Cc1cc(N(C)C)cc([C@@H]2CN(c3ccnc(C)n3)CCO2)n1 ZINC000257250886 402708921 /nfs/dbraw/zinc/70/89/21/402708921.db2.gz JOLFOHIKPXRFNQ-INIZCTEOSA-N 0 3 313.405 2.132 40 0 DEABHN Cc1cc(C(=O)N2CC[C@H](c3cc(N(C)C)cc(C)n3)C2)no1 ZINC000257268946 402710463 /nfs/dbraw/zinc/71/04/63/402710463.db2.gz MNXAAQANZJTDJX-ZDUSSCGKSA-N 0 3 314.389 2.382 40 0 DEABHN CC(C)[C@@H]1COC(=O)N1c1cncc(C2CCN(C)CC2)n1 ZINC000257325818 402712147 /nfs/dbraw/zinc/71/21/47/402712147.db2.gz WUOFMKVPQJSFRT-AWEZNQCLSA-N 0 3 304.394 2.267 40 0 DEABHN c1cncc(COC[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)c1 ZINC000253591474 402669228 /nfs/dbraw/zinc/66/92/28/402669228.db2.gz NWFXXZXNVXZXAQ-BZSNNMDCSA-N 0 3 302.418 2.488 40 0 DEABHN Cc1nc(NCCO)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000328965635 404184421 /nfs/dbraw/zinc/18/44/21/404184421.db2.gz CEPRDHLZFDQVQK-UHFFFAOYSA-N 0 3 318.808 2.405 40 0 DEABHN CC(C)[C@@H]1NC(=N)NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000001722912 273550005 /nfs/dbraw/zinc/55/00/05/273550005.db2.gz SNLGCLVYDGNJFD-SNVBAGLBSA-N 0 3 300.193 2.425 40 0 DEABHN CC(C)(C)c1cc(CC2(N[C@H]3CC[C@@H](CO)CC3)COC2)no1 ZINC000252675663 526753168 /nfs/dbraw/zinc/75/31/68/526753168.db2.gz UQBOTIUWMHIONT-OKILXGFUSA-N 0 3 322.449 2.424 40 0 biogenic,in-vitro DEABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)O1 ZINC000096052288 282135935 /nfs/dbraw/zinc/13/59/35/282135935.db2.gz RQVPTTITIYOFHS-MSOLQXFVSA-N 0 3 322.424 2.137 40 0 DEABHN CC(C)N(C[C@@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411132 185169931 /nfs/dbraw/zinc/16/99/31/185169931.db2.gz DYPVAJXRYQKNMC-QGZVFWFLSA-N 0 3 320.433 2.348 40 0 DEABHN Cc1nccc([C@@H]2CCCN(C(=O)CN(C)C3CCCC3)C2)n1 ZINC000257210804 282191654 /nfs/dbraw/zinc/19/16/54/282191654.db2.gz BWGHYNDVKPGYBD-OAHLLOKOSA-N 0 3 316.449 2.365 40 0 DEABHN Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CN)n2)n1 ZINC000072382972 191143234 /nfs/dbraw/zinc/14/32/34/191143234.db2.gz AUGLQYRMLZXOJJ-LBPRGKRZSA-N 0 3 317.418 2.212 40 0 DEABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 ZINC000073034463 191272277 /nfs/dbraw/zinc/27/22/77/191272277.db2.gz KSUWGJLLSBNCFC-ZDUSSCGKSA-N 0 3 317.433 2.495 40 0 DEABHN CN1CCC(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000074920938 191387810 /nfs/dbraw/zinc/38/78/10/191387810.db2.gz XUTIOHAAKNDUPU-UHFFFAOYSA-N 0 3 319.424 2.206 40 0 DEABHN O=C(C[C@@H]1Cn2cccc2CN(C2CCC2)C1)N1CCCO1 ZINC000585099096 357333342 /nfs/dbraw/zinc/33/33/42/357333342.db2.gz LWJSIDOGLGQEDP-CQSZACIVSA-N 0 3 303.406 2.026 40 0 DEABHN Cc1cccnc1CN1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294552 357345824 /nfs/dbraw/zinc/34/58/24/357345824.db2.gz IHKREFBGKANHJQ-BHIYHBOVSA-N 0 3 312.413 2.020 40 0 DEABHN CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)C ZINC000224132321 201670218 /nfs/dbraw/zinc/67/02/18/201670218.db2.gz KUELMMZPNMBKMG-KRWDZBQOSA-N 0 3 304.434 2.401 40 0 DEABHN Cc1noc(C)c1-c1ccc([C@@H]2CCCN2CCC(N)=O)nc1 ZINC000257279012 203008073 /nfs/dbraw/zinc/00/80/73/203008073.db2.gz OEPMMRSLTMVWDO-HNNXBMFYSA-N 0 3 314.389 2.366 40 0 DEABHN COc1ncccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257317432 203040846 /nfs/dbraw/zinc/04/08/46/203040846.db2.gz VJSXMYXLPRWHAX-YOEHRIQHSA-N 0 3 303.406 2.179 40 0 DEABHN Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccncc4)C3)o2)cn1 ZINC000019239197 182111106 /nfs/dbraw/zinc/11/11/06/182111106.db2.gz XLBNGUHBYZDEDS-CQSZACIVSA-N 0 3 322.372 2.220 40 0 DEABHN CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccccc3)[C@H](O)[C@H]2O1 ZINC000022115924 182309125 /nfs/dbraw/zinc/30/91/25/182309125.db2.gz FXRSTNMDEDRDHF-DMRKSPOLSA-N 0 3 319.401 2.061 40 0 DEABHN CC[C@H]1CN(C(=O)c2cnc(C)[nH]2)CCN1Cc1ccccc1 ZINC000273840795 211102789 /nfs/dbraw/zinc/10/27/89/211102789.db2.gz GVYXQCGRXFJLLM-INIZCTEOSA-N 0 3 312.417 2.455 40 0 DEABHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](O)(CN)c1ccccc1 ZINC000072207998 257128341 /nfs/dbraw/zinc/12/83/41/257128341.db2.gz DBFWNSCDJLQVOI-WMLDXEAASA-N 0 3 306.406 2.232 40 0 DEABHN CCC(C)(C)N1CCN(C(=O)NCCc2cc(C)no2)CC1 ZINC000685938884 542767839 /nfs/dbraw/zinc/76/78/39/542767839.db2.gz YSEOCVDNLDFMIE-UHFFFAOYSA-N 0 3 308.426 2.041 40 0 DEABHN COc1ccc(OCCN(C)C(=O)[C@@H]2NCCCC2(C)C)cc1 ZINC000261931191 145243411 /nfs/dbraw/zinc/24/34/11/145243411.db2.gz SUUSEGZUBHHVQJ-INIZCTEOSA-N 0 3 320.433 2.311 40 0 DEABHN COc1ccc(CC(=O)N(C)CCN2CCCCC2)cc1C ZINC000012360937 401784077 /nfs/dbraw/zinc/78/40/77/401784077.db2.gz UUAUHYFRVLQZKZ-UHFFFAOYSA-N 0 3 304.434 2.490 40 0 DEABHN CCCn1cc2c(n1)nc(N1CCNCC1)cc2C(F)(F)F ZINC000012398903 401785099 /nfs/dbraw/zinc/78/50/99/401785099.db2.gz ONNBONMUNQLUOS-UHFFFAOYSA-N 0 3 313.327 2.270 40 0 DEABHN CC(C)OC[C@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096040499 402048428 /nfs/dbraw/zinc/04/84/28/402048428.db2.gz NCVIWKLYIGJRTJ-IAGOWNOFSA-N 0 3 307.438 2.216 40 0 DEABHN c1cc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)co1 ZINC000096055029 402052506 /nfs/dbraw/zinc/05/25/06/402052506.db2.gz NJHFQNBCGMPLHH-ZWKOTPCHSA-N 0 3 313.401 2.150 40 0 DEABHN COc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096053994 402052539 /nfs/dbraw/zinc/05/25/39/402052539.db2.gz SSFPKVYRMINHME-IYBDPMFKSA-N 0 3 310.401 2.053 40 0 DEABHN Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)o1 ZINC000096058287 402053902 /nfs/dbraw/zinc/05/39/02/402053902.db2.gz FSFHDOBLIDUMSH-IXDOHACOSA-N 0 3 318.417 2.094 40 0 DEABHN c1ccc(-c2nnn3c2CO[C@@H](CNCc2ccccn2)C3)cc1 ZINC000096061088 402054846 /nfs/dbraw/zinc/05/48/46/402054846.db2.gz CRJFTSUMCNMPLH-INIZCTEOSA-N 0 3 321.384 2.029 40 0 DEABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1 ZINC000096061135 402054853 /nfs/dbraw/zinc/05/48/53/402054853.db2.gz CGOJBMXTSOEDIP-MRXNPFEDSA-N 0 3 320.408 2.428 40 0 DEABHN CCO[C@@H]1CCN(CCOCc2ccccc2)[C@H]2CCO[C@@H]21 ZINC000096217982 402071406 /nfs/dbraw/zinc/07/14/06/402071406.db2.gz WOIDCTBNDOZAKR-KSZLIROESA-N 0 3 305.418 2.472 40 0 DEABHN Cc1cc(C)cc(CN2CC[C@H]3[C@@H]2CCN3CC(=O)N(C)C)c1 ZINC000096184385 402065536 /nfs/dbraw/zinc/06/55/36/402065536.db2.gz QJHNUBDWESFBLO-ROUUACIJSA-N 0 3 315.461 2.040 40 0 DEABHN CO[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@@]12CCCO2 ZINC000257235944 402706869 /nfs/dbraw/zinc/70/68/69/402706869.db2.gz HAEJDOKTQDWFNL-ROUUACIJSA-N 0 3 319.401 2.228 40 0 DEABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096048697 275021378 /nfs/dbraw/zinc/02/13/78/275021378.db2.gz GCGDEQQWMMGJDV-QGZVFWFLSA-N 0 3 312.373 2.089 40 0 DEABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccccc2)C1 ZINC000038536665 277204264 /nfs/dbraw/zinc/20/42/64/277204264.db2.gz HFBDLIGBWDZLIQ-GJZGRUSLSA-N 0 3 305.422 2.285 40 0 DEABHN CNCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000202703904 563689420 /nfs/dbraw/zinc/68/94/20/563689420.db2.gz ZUOCVIUMOFFLTL-UHFFFAOYSA-N 0 3 323.440 2.140 40 0 DEABHN CCN(C[C@@H]1CCCCN1CCO)C(=O)OCc1ccccc1 ZINC000079411057 185169902 /nfs/dbraw/zinc/16/99/02/185169902.db2.gz LFFVDBXMNPABBO-KRWDZBQOSA-N 0 3 320.433 2.492 40 0 DEABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079409742 185169427 /nfs/dbraw/zinc/16/94/27/185169427.db2.gz JPXOSCKLCVIHBC-RWMBFGLXSA-N 0 3 313.442 2.018 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2C(=O)N(c3ccccc3)C[C@@H]2C1 ZINC000096094127 282385146 /nfs/dbraw/zinc/38/51/46/282385146.db2.gz RRAJQHQFHATRPL-YOEHRIQHSA-N 0 3 311.385 2.386 40 0 DEABHN Cc1cc(-c2cccc(C(N)=O)c2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072360753 191131346 /nfs/dbraw/zinc/13/13/46/191131346.db2.gz LUQIUGXSESPRNA-OAHLLOKOSA-N 0 3 310.401 2.360 40 0 DEABHN Cc1cc(-c2cccc(C(N)=O)c2)nc([C@H]2CCCN(C)C2)n1 ZINC000072360754 191131859 /nfs/dbraw/zinc/13/18/59/191131859.db2.gz LUQIUGXSESPRNA-HNNXBMFYSA-N 0 3 310.401 2.360 40 0 DEABHN CCn1cc(CN2CCC3(CC2)OCC[C@@H]3CCOC)cn1 ZINC000585105499 357334420 /nfs/dbraw/zinc/33/44/20/357334420.db2.gz YDSDGFKEVABEMH-INIZCTEOSA-N 0 3 307.438 2.311 40 0 DEABHN Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CC2)c(C(F)F)n1 ZINC000585108127 357335171 /nfs/dbraw/zinc/33/51/71/357335171.db2.gz SKIYPHPHDHMVJY-QWHCGFSZSA-N 0 3 324.375 2.057 40 0 DEABHN CN1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585289000 357344937 /nfs/dbraw/zinc/34/49/37/357344937.db2.gz CTEGJGKSPUWIMD-GVDBMIGSSA-N 0 3 324.852 2.248 40 0 DEABHN CNc1cnc(C[C@H]2CCCN(Cc3c[nH]cn3)CC2)cn1 ZINC000257294099 203018715 /nfs/dbraw/zinc/01/87/15/203018715.db2.gz QSKLTJBOMNZQGB-ZDUSSCGKSA-N 0 3 300.410 2.086 40 0 DEABHN CNc1cnc(C[C@H]2CCCN(Cc3cnc[nH]3)CC2)cn1 ZINC000257294099 203018718 /nfs/dbraw/zinc/01/87/18/203018718.db2.gz QSKLTJBOMNZQGB-ZDUSSCGKSA-N 0 3 300.410 2.086 40 0 DEABHN COCCN1CCC[C@H](c2cn3cccc3c(N(C)C)n2)C1 ZINC000257329199 203053262 /nfs/dbraw/zinc/05/32/62/203053262.db2.gz XIWZQHNQVMDORP-AWEZNQCLSA-N 0 3 302.422 2.226 40 0 DEABHN COc1cc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc(OC)c1 ZINC000257338840 203060289 /nfs/dbraw/zinc/06/02/89/203060289.db2.gz YZDRIXQXLKVSFK-ROUUACIJSA-N 0 3 321.417 2.474 40 0 DEABHN CN(C)CCNC(=S)Nc1cccc(Br)c1 ZINC000016941888 182065372 /nfs/dbraw/zinc/06/53/72/182065372.db2.gz GQLQBTOWWRLLCT-UHFFFAOYSA-N 0 3 302.241 2.297 40 0 DEABHN COc1ccccc1CN[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000019120679 182105243 /nfs/dbraw/zinc/10/52/43/182105243.db2.gz VSTPHKPJVSHLFN-GDBMZVCRSA-N 0 3 302.374 2.339 40 0 DEABHN CN1CCC[C@H](c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1 ZINC000019588692 182132580 /nfs/dbraw/zinc/13/25/80/182132580.db2.gz KZJJUCAWRKVMCO-INIZCTEOSA-N 0 3 323.444 2.239 40 0 DEABHN NCc1cnn(-c2ccccc2C(=O)NCc2cccc(F)c2)c1 ZINC000257331974 256622327 /nfs/dbraw/zinc/62/23/27/256622327.db2.gz XVEGXWZTBFGQSD-UHFFFAOYSA-N 0 3 324.359 2.400 40 0 DEABHN CC(C)(C)OC(=O)NCCCC[C@H](N)NC(=O)c1ccccc1 ZINC000001643531 401708970 /nfs/dbraw/zinc/70/89/70/401708970.db2.gz DHAIQBUXEURGMK-CQSZACIVSA-N 0 3 321.421 2.396 40 0 DEABHN Cc1nccn1-c1cncc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072378810 401710203 /nfs/dbraw/zinc/71/02/03/401710203.db2.gz CFJNXADQYXTHRL-INIZCTEOSA-N 0 3 313.405 2.287 40 0 DEABHN CN1CCC(C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000128620763 401785433 /nfs/dbraw/zinc/78/54/33/401785433.db2.gz USUPXEHPBVZGCK-UHFFFAOYSA-N 0 3 301.390 2.094 40 0 DEABHN CCOc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1OCC ZINC000027932392 401848885 /nfs/dbraw/zinc/84/88/85/401848885.db2.gz RBODBCIRYXWANJ-HNNXBMFYSA-N 0 3 318.417 2.404 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CC2)C1 ZINC000096108715 402059777 /nfs/dbraw/zinc/05/97/77/402059777.db2.gz AOFFZGVYMCYQHP-NVXWUHKLSA-N 0 3 306.406 2.166 40 0 DEABHN COc1ccc([C@H](N)c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095533648 402033561 /nfs/dbraw/zinc/03/35/61/402033561.db2.gz SHHIZVSNSNPTCQ-INIZCTEOSA-N 0 3 310.357 2.440 40 0 DEABHN Cc1nc([C@H]2C[C@@H]3CCN(Cc4scnc4C)C[C@H]3O2)n[nH]1 ZINC000096046226 402050404 /nfs/dbraw/zinc/05/04/04/402050404.db2.gz ADROXMIBEVJDLY-YNEHKIRRSA-N 0 3 319.434 2.230 40 0 DEABHN c1cc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cs1 ZINC000096047712 402050692 /nfs/dbraw/zinc/05/06/92/402050692.db2.gz PABDGCHCXFCCED-GDBMZVCRSA-N 0 3 316.430 2.384 40 0 DEABHN O=C(c1cccs1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053764 402051585 /nfs/dbraw/zinc/05/15/85/402051585.db2.gz ZIPALYZFYJXZID-GASCZTMLSA-N 0 3 313.426 2.347 40 0 DEABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052273 402051712 /nfs/dbraw/zinc/05/17/12/402051712.db2.gz YUIPJUFKZGTYBD-GOEBONIOSA-N 0 3 310.463 2.060 40 0 DEABHN c1cc(CN2CCN3C[C@H](OCc4ccccn4)C[C@H]3C2)co1 ZINC000096055116 402052502 /nfs/dbraw/zinc/05/25/02/402052502.db2.gz ZTYRPVKALQMTBF-ZWKOTPCHSA-N 0 3 313.401 2.150 40 0 DEABHN Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096053991 402052917 /nfs/dbraw/zinc/05/29/17/402052917.db2.gz MVHKNHOVDSLGRA-OKILXGFUSA-N 0 3 300.431 2.415 40 0 DEABHN O=C(NC1CCC1)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096065578 402055527 /nfs/dbraw/zinc/05/55/27/402055527.db2.gz QQPQWVLRSBAZTG-HRCADAONSA-N 0 3 320.458 2.254 40 0 DEABHN O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 ZINC000096066068 402055588 /nfs/dbraw/zinc/05/55/88/402055588.db2.gz IRTWMMXXPWDVEM-RCCFBDPRSA-N 0 3 314.429 2.192 40 0 DEABHN CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3ccccc3)C1)COC2 ZINC000096100220 402058313 /nfs/dbraw/zinc/05/83/13/402058313.db2.gz JCODWVZWEUWPTI-LJQANCHMSA-N 0 3 324.428 2.217 40 0 DEABHN O=C(c1cccs1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096246140 402073948 /nfs/dbraw/zinc/07/39/48/402073948.db2.gz QAXMHWHLVVZNCN-RRFJBIMHSA-N 0 3 320.458 2.321 40 0 DEABHN O=C1C[C@@]2(CCN(Cc3ccccc3)C2)CN1c1cncnc1 ZINC000096239206 402074297 /nfs/dbraw/zinc/07/42/97/402074297.db2.gz LOHVREUUXBZTJO-GOSISDBHSA-N 0 3 308.385 2.106 40 0 DEABHN CCN1CCO[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]2C1 ZINC000096249569 402075032 /nfs/dbraw/zinc/07/50/32/402075032.db2.gz ZEJQXYWCLNEMOT-ZIAGYGMSSA-N 0 3 308.447 2.239 40 0 DEABHN O=C1COC2(CCN(Cc3cccs3)CC2)CN1CC1CC1 ZINC000096201382 402068752 /nfs/dbraw/zinc/06/87/52/402068752.db2.gz XWEZRHZGRLFKLF-UHFFFAOYSA-N 0 3 320.458 2.352 40 0 DEABHN Cc1noc(C)c1CN1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000097971511 402133830 /nfs/dbraw/zinc/13/38/30/402133830.db2.gz CKMRADMOARYKNR-HOTGVXAUSA-N 0 3 312.417 2.250 40 0 DEABHN Cc1nccc([C@H]2CCCN(C(=O)CN(C)C3CCCC3)C2)n1 ZINC000257210803 402703574 /nfs/dbraw/zinc/70/35/74/402703574.db2.gz BWGHYNDVKPGYBD-HNNXBMFYSA-N 0 3 316.449 2.365 40 0 DEABHN COCCN1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257261863 402709993 /nfs/dbraw/zinc/70/99/93/402709993.db2.gz LJBDWFXKEUHJLM-LBPRGKRZSA-N 0 3 319.434 2.421 40 0 DEABHN CC(=O)N1CCN(CC2CCOCC2)[C@H](c2ccccc2)C1 ZINC000257269713 402711466 /nfs/dbraw/zinc/71/14/66/402711466.db2.gz MRBKPOJQKGXPNZ-SFHVURJKSA-N 0 3 302.418 2.318 40 0 DEABHN COCCN1CCC[C@@H](c2cccc(-c3ccnn3C)n2)C1 ZINC000257326958 402712287 /nfs/dbraw/zinc/71/22/87/402712287.db2.gz WZGFNDMSYRXOPC-CQSZACIVSA-N 0 3 300.406 2.308 40 0 DEABHN c1cncc(O[C@H]2CSC3(CN(CC4CCOCC4)C3)C2)c1 ZINC000253477032 402667553 /nfs/dbraw/zinc/66/75/53/402667553.db2.gz CNDSGABQNOFNKD-MRXNPFEDSA-N 0 3 320.458 2.447 40 0 DEABHN C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@H]2N ZINC000253591735 402669973 /nfs/dbraw/zinc/66/99/73/402669973.db2.gz TWXVMGOZCGGXHQ-GGPKGHCWSA-N 0 3 321.424 2.321 40 0 DEABHN CN(C)Cc1cnc([C@H]2CN(Cc3ccsc3)CCO2)[nH]1 ZINC000257207408 402703255 /nfs/dbraw/zinc/70/32/55/402703255.db2.gz BHPQIONZSOWFDM-CQSZACIVSA-N 0 3 306.435 2.106 40 0 DEABHN C[C@H]1Cc2ccccc2CN1c1cc(NCCN(C)C)ncn1 ZINC000329023045 404205624 /nfs/dbraw/zinc/20/56/24/404205624.db2.gz ORFHOERUMUPGOZ-AWEZNQCLSA-N 0 3 311.433 2.401 40 0 DEABHN Cc1c[nH]nc1[C@H]1CCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000257200509 424888975 /nfs/dbraw/zinc/88/89/75/424888975.db2.gz ADPSANIWSHOVEG-INIZCTEOSA-N 0 3 312.417 2.409 40 0 DEABHN COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000333853807 268997250 /nfs/dbraw/zinc/99/72/50/268997250.db2.gz QNANDSWZDMVTSN-SWLSCSKDSA-N 0 3 304.390 2.005 40 0 DEABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccncc1)COC3 ZINC000096112632 274143925 /nfs/dbraw/zinc/14/39/25/274143925.db2.gz OEJIRYATWACSSM-AWEZNQCLSA-N 0 3 324.384 2.301 40 0 biogenic,in-vitro DEABHN Cc1cc(N2CCN(C[C@H](C)O)CC2)c2cc(F)ccc2n1 ZINC000274993344 274707579 /nfs/dbraw/zinc/70/75/79/274707579.db2.gz DZOZZZDKNWNMGJ-ZDUSSCGKSA-N 0 3 303.381 2.185 40 0 DEABHN CN1c2ncccc2C(=O)NC12CCN(Cc1ccccc1)CC2 ZINC000012182232 277219058 /nfs/dbraw/zinc/21/90/58/277219058.db2.gz RPPYOXMVGUNWLS-UHFFFAOYSA-N 0 3 322.412 2.254 40 0 DEABHN CN(C)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O ZINC000005525831 289160000 /nfs/dbraw/zinc/16/00/00/289160000.db2.gz JRBXXARYECIAQB-UHFFFAOYSA-N 0 3 323.396 2.485 40 0 DEABHN CN(CCN1CCCCC1)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012325901 289651618 /nfs/dbraw/zinc/65/16/18/289651618.db2.gz DVHHLHUZHLUMFM-OAHLLOKOSA-N 0 3 315.417 2.057 40 0 DEABHN COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)cc1 ZINC000072321629 191120924 /nfs/dbraw/zinc/12/09/24/191120924.db2.gz VJBXUYLIUGRUBI-NCXUSEDFSA-N 0 3 313.397 2.063 40 0 biogenic,in-vitro DEABHN CN1CC[C@@H](COc2ccccn2)CC12CN(C1CCC1)C2 ZINC000585102875 357333713 /nfs/dbraw/zinc/33/37/13/357333713.db2.gz LPIMTDBGPKTLHB-OAHLLOKOSA-N 0 3 301.434 2.409 40 0 DEABHN CN(C)CCNc1nc(Nc2ccccc2F)cc(C2CC2)n1 ZINC000328989768 257231165 /nfs/dbraw/zinc/23/11/65/257231165.db2.gz IMMRKQZCCLYENK-UHFFFAOYSA-N 0 3 315.396 2.054 40 0 DEABHN CN(C)CCOC(=O)[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000001668935 401709582 /nfs/dbraw/zinc/70/95/82/401709582.db2.gz YPVKSOYSHKHDNW-IBGZPJMESA-N 0 3 313.397 2.222 40 0 DEABHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC000096040644 402048827 /nfs/dbraw/zinc/04/88/27/402048827.db2.gz JZCLUHGJPZZPCG-KSZLIROESA-N 0 3 314.429 2.192 40 0 DEABHN c1cncc(CN2CCC3(CC2)COCCN3CC2CC2)c1 ZINC000096048919 402051331 /nfs/dbraw/zinc/05/13/31/402051331.db2.gz SSNSOZLQNOCQMJ-UHFFFAOYSA-N 0 3 301.434 2.158 40 0 DEABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 ZINC000096052275 402051452 /nfs/dbraw/zinc/05/14/52/402051452.db2.gz YUIPJUFKZGTYBD-HOCLYGCPSA-N 0 3 310.463 2.060 40 0 DEABHN O=C(c1ccsc1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053813 402052002 /nfs/dbraw/zinc/05/20/02/402052002.db2.gz QMXPNEVRFAAXFV-GASCZTMLSA-N 0 3 313.426 2.347 40 0 DEABHN Cc1cccc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CCN3C2)n1 ZINC000096055106 402053074 /nfs/dbraw/zinc/05/30/74/402053074.db2.gz PLAAWENGSOKAHA-QZTJIDSGSA-N 0 3 301.434 2.075 40 0 DEABHN Cn1cc(CN2CCC[C@]3(CCN(c4ccccc4)C3=O)C2)cn1 ZINC000096224480 402071789 /nfs/dbraw/zinc/07/17/89/402071789.db2.gz KWAKZBZYOMNHSV-IBGZPJMESA-N 0 3 324.428 2.439 40 0 DEABHN CC(C)CN1CCNC(=O)C12CCN(Cc1cccs1)CC2 ZINC000096230167 402073158 /nfs/dbraw/zinc/07/31/58/402073158.db2.gz IIBOLIOLMVGWNU-UHFFFAOYSA-N 0 3 321.490 2.171 40 0 DEABHN O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1cccnc1 ZINC000096239101 402073198 /nfs/dbraw/zinc/07/31/98/402073198.db2.gz OUWDZAZORWTELD-SFHVURJKSA-N 0 3 308.385 2.106 40 0 DEABHN CCN(C(=O)c1ccc2nnc([C@H]3CCN(C)C3)n2c1)C(C)C ZINC000096156121 402062760 /nfs/dbraw/zinc/06/27/60/402062760.db2.gz YLYGDAZBNFVLGA-ZDUSSCGKSA-N 0 3 315.421 2.019 40 0 DEABHN Cn1cccc1C(=O)NCc1cncc2c1CCN(CC1CC1)C2 ZINC000096189502 402066734 /nfs/dbraw/zinc/06/67/34/402066734.db2.gz JNRNMMQQDMFJCO-UHFFFAOYSA-N 0 3 324.428 2.118 40 0 DEABHN Cc1ccc(CN2CCc3ncc(CN(C)C)n3CC2)s1 ZINC000096196780 402067319 /nfs/dbraw/zinc/06/73/19/402067319.db2.gz HQWLCKVRYJSUKB-UHFFFAOYSA-N 0 3 304.463 2.373 40 0 DEABHN CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cccnc1 ZINC000096200861 402068215 /nfs/dbraw/zinc/06/82/15/402068215.db2.gz NOLUCLRSWNAMBL-SJORKVTESA-N 0 3 316.449 2.281 40 0 DEABHN CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCc1ccccn1 ZINC000067889756 402177239 /nfs/dbraw/zinc/17/72/39/402177239.db2.gz OJIYHPMSUAVMQP-DYVFJYSZSA-N 0 3 315.417 2.351 40 0 biogenic,in-vitro DEABHN O=C(C[C@H]1[C@H]2CN(Cc3ccncc3)C[C@@H]12)Nc1cccnc1 ZINC000107746021 402239618 /nfs/dbraw/zinc/23/96/18/402239618.db2.gz IVTJSVWJOZEGIH-BJWYYQGGSA-N 0 3 308.385 2.183 40 0 DEABHN O=C(C[C@H]1[C@H]2CN(Cc3ccncc3)C[C@@H]12)NCc1ccco1 ZINC000107745971 402240278 /nfs/dbraw/zinc/24/02/78/402240278.db2.gz XNFAYSJXINVGIJ-BJWYYQGGSA-N 0 3 311.385 2.059 40 0 DEABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 ZINC000223252194 402309950 /nfs/dbraw/zinc/30/99/50/402309950.db2.gz ODNXWUXNBOGPDB-CABCVRRESA-N 0 3 316.430 2.209 40 0 DEABHN CC(=O)Nc1ncc(-c2cnc(C3CCN(C)CC3)cn2)s1 ZINC000257256123 402709360 /nfs/dbraw/zinc/70/93/60/402709360.db2.gz KKEFXJPDCPETAO-UHFFFAOYSA-N 0 3 317.418 2.368 40 0 DEABHN CC(C)N(C(=O)OC(C)(C)C)C1CCC(NC(=O)CN)CC1 ZINC000079409307 279299310 /nfs/dbraw/zinc/29/93/10/279299310.db2.gz ATIZSGOWKDTQIO-UHFFFAOYSA-N 0 3 313.442 2.018 40 0 DEABHN O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCN(CCO)C1 ZINC000079411265 185170021 /nfs/dbraw/zinc/17/00/21/185170021.db2.gz RVKFWGKRCHJUPE-KRWDZBQOSA-N 0 3 318.417 2.244 40 0 DEABHN Cc1nnc2n1C1(CCN(Cc3cccs3)CC1)CN(C)C2 ZINC000306124259 231083869 /nfs/dbraw/zinc/08/38/69/231083869.db2.gz BKVJWIHOYYFYAH-UHFFFAOYSA-N 0 3 317.462 2.085 40 0 DEABHN Cc1nscc1C(=O)NCC1(N2CCCCC2)CCOCC1 ZINC000179689465 186205862 /nfs/dbraw/zinc/20/58/62/186205862.db2.gz TZJHMEIYUASTQY-UHFFFAOYSA-N 0 3 323.462 2.216 40 0 DEABHN CN1CCCC[C@]1(C)C(=O)N1CCC(Cc2cccnn2)CC1 ZINC000072367354 191136550 /nfs/dbraw/zinc/13/65/50/191136550.db2.gz HNYXRCLJROKXNC-GOSISDBHSA-N 0 3 316.449 2.132 40 0 DEABHN Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CN)n2)s1 ZINC000072382975 191143098 /nfs/dbraw/zinc/14/30/98/191143098.db2.gz STLQNMQOLVOGNW-GFCCVEGCSA-N 0 3 317.418 2.212 40 0 DEABHN O[C@]1(COc2ccc(Cl)cc2)COCCN(C2CCC2)C1 ZINC000585280866 357343743 /nfs/dbraw/zinc/34/37/43/357343743.db2.gz AZHYYWZVOFPJIA-INIZCTEOSA-N 0 3 311.809 2.335 40 0 DEABHN COCCC(=O)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 ZINC000257273636 203002046 /nfs/dbraw/zinc/00/20/46/203002046.db2.gz NHMYGYZCSYRZHO-QGZVFWFLSA-N 0 3 317.433 2.377 40 0 DEABHN NCc1cn(-c2ccccc2C(=O)NCc2cccc(F)c2)cn1 ZINC000257300401 203025296 /nfs/dbraw/zinc/02/52/96/203025296.db2.gz RUDHPHSHMMOIPB-UHFFFAOYSA-N 0 3 324.359 2.400 40 0 DEABHN O[C@H]1CCCOC12CCN(CC1=Cc3ccccc3OC1)CC2 ZINC000257332406 203055036 /nfs/dbraw/zinc/05/50/36/203055036.db2.gz XXFJBGWFSMSZMG-SFHVURJKSA-N 0 3 315.413 2.468 40 0 DEABHN O=C(Cc1ccccc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019370289 182119974 /nfs/dbraw/zinc/11/99/74/182119974.db2.gz QWQHUSWJOUAKBN-KRWDZBQOSA-N 0 3 322.412 2.029 40 0 DEABHN Cc1nn(C)cc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 ZINC000019583746 182132521 /nfs/dbraw/zinc/13/25/21/182132521.db2.gz YYRGCSQCMRMMDT-AWEZNQCLSA-N 0 3 324.388 2.163 40 0 DEABHN COc1ccc(OCc2n[nH]c([C@@H](N)c3ccccc3)n2)cc1 ZINC000095533421 257137078 /nfs/dbraw/zinc/13/70/78/257137078.db2.gz NEVOSSGFXFRUBG-INIZCTEOSA-N 0 3 310.357 2.440 40 0 DEABHN Cc1c2ccccc2oc1C(=O)OC(CN(C)C)CN(C)C ZINC000012651049 401789686 /nfs/dbraw/zinc/78/96/86/401789686.db2.gz QSGBSXMMWXICRD-UHFFFAOYSA-N 0 3 304.390 2.390 40 0 DEABHN Cc1cc2nc([C@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 ZINC000019129365 401821564 /nfs/dbraw/zinc/82/15/64/401821564.db2.gz YTULZVIRZWXXJO-HNNXBMFYSA-N 0 3 322.416 2.395 40 0 DEABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4cncn4C)o3)C2)o1 ZINC000049170475 402013734 /nfs/dbraw/zinc/01/37/34/402013734.db2.gz IDHUYDLBRPCOSQ-LBPRGKRZSA-N 0 3 313.361 2.361 40 0 biogenic,in-vitro DEABHN COc1ccc(OCc2n[nH]c([C@H](N)c3ccccc3)n2)cc1 ZINC000095533420 402033584 /nfs/dbraw/zinc/03/35/84/402033584.db2.gz NEVOSSGFXFRUBG-MRXNPFEDSA-N 0 3 310.357 2.440 40 0 DEABHN c1cnc(N2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 ZINC000096047158 402050349 /nfs/dbraw/zinc/05/03/49/402050349.db2.gz ABFYUKILRKSJIT-SFHVURJKSA-N 0 3 309.417 2.364 40 0 DEABHN O=C([C@@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCCC1 ZINC000096052172 402052069 /nfs/dbraw/zinc/05/20/69/402052069.db2.gz LIJYGAKGQCGZSP-INIZCTEOSA-N 0 3 318.417 2.131 40 0 DEABHN c1coc(CN2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC000096055020 402052790 /nfs/dbraw/zinc/05/27/90/402052790.db2.gz ADWRFSHBGVCHRA-AEFFLSMTSA-N 0 3 313.401 2.150 40 0 DEABHN CCCN1Cc2nccn2C[C@@H](CN(C)Cc2ccco2)C1 ZINC000096067117 402055553 /nfs/dbraw/zinc/05/55/53/402055553.db2.gz RQKKRRAXLRNSJU-HNNXBMFYSA-N 0 3 302.422 2.450 40 0 DEABHN COCCC(=O)N1CC[C@@]2(CCN(Cc3ccc(C)o3)C2)C1 ZINC000096071117 402056294 /nfs/dbraw/zinc/05/62/94/402056294.db2.gz HEYMHNMECJDRGE-QGZVFWFLSA-N 0 3 306.406 2.049 40 0 DEABHN Cn1cc(CN2CC[C@]3(CC(=O)N(c4ccccc4)C3)C2)cn1 ZINC000096238419 402073384 /nfs/dbraw/zinc/07/33/84/402073384.db2.gz JRGXSOCJBOYWJX-SFHVURJKSA-N 0 3 310.401 2.049 40 0 DEABHN O=C(c1cccs1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096246139 402074012 /nfs/dbraw/zinc/07/40/12/402074012.db2.gz QAXMHWHLVVZNCN-ZNMIVQPWSA-N 0 3 320.458 2.321 40 0 DEABHN CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000097953600 402133977 /nfs/dbraw/zinc/13/39/77/402133977.db2.gz NWEYDZJOTSJOBT-BZSNNMDCSA-N 0 3 316.445 2.233 40 0 DEABHN c1ccc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 ZINC000107226460 402228000 /nfs/dbraw/zinc/22/80/00/402228000.db2.gz BLLLVAZJEIVAGU-AEFFLSMTSA-N 0 3 310.401 2.322 40 0 DEABHN Cn1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 ZINC000107711937 402239241 /nfs/dbraw/zinc/23/92/41/402239241.db2.gz TUDBNEXZGGSTBJ-MSOLQXFVSA-N 0 3 319.449 2.218 40 0 DEABHN COc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cc1 ZINC000247874315 402577437 /nfs/dbraw/zinc/57/74/37/402577437.db2.gz GASPNUSGLRSTIH-PKOBYXMFSA-N 0 3 316.445 2.380 40 0 DEABHN CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000252517185 402657806 /nfs/dbraw/zinc/65/78/06/402657806.db2.gz BSBDPKZEEHABGV-AVGNSLFASA-N 0 3 313.442 2.018 40 0 DEABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000257220530 402704775 /nfs/dbraw/zinc/70/47/75/402704775.db2.gz DLDDWLVQAPQHED-INIZCTEOSA-N 0 3 304.415 2.040 40 0 DEABHN O[C@@H]1CCCOC12CCN(CCOc1ccc(F)cc1)CC2 ZINC000257201429 402702625 /nfs/dbraw/zinc/70/26/25/402702625.db2.gz AHRAPAWICKILSP-MRXNPFEDSA-N 0 3 309.381 2.210 40 0 DEABHN Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)CN)C2)nc1 ZINC000257206905 402703278 /nfs/dbraw/zinc/70/32/78/402703278.db2.gz BFJZOXQPVNWNFW-CQSZACIVSA-N 0 3 314.389 2.018 40 0 DEABHN CN1C[C@@H]2CCCN(C(=O)c3ccccc3OC3CC3)[C@@H]2C1 ZINC000425068814 405243086 /nfs/dbraw/zinc/24/30/86/405243086.db2.gz UQLQEMFIECIPCV-XJKSGUPXSA-N 0 3 300.402 2.394 40 0 DEABHN COc1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2N)cc1 ZINC000015830344 274117805 /nfs/dbraw/zinc/11/78/05/274117805.db2.gz IWWSVINQONJVDG-ZACQAIPSSA-N 0 3 321.384 2.370 40 0 DEABHN CC(C)CN1C(=O)CC2(CCN(CCO)CC2)c2ccccc21 ZINC000096243952 277381824 /nfs/dbraw/zinc/38/18/24/277381824.db2.gz DFMMEJJASHYAND-UHFFFAOYSA-N 0 3 316.445 2.405 40 0 DEABHN