smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]([NH3+])c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000095534794 185008604 /nfs/dbraw/zinc/00/86/04/185008604.db2.gz MCLWZLOWZUOCCX-QMMMGPOBSA-N 0 3 285.145 2.483 40 0 CEABHN CCN1CCC2(CCN(Cc3ccco3)CC2)C1=O ZINC000096046733 185071166 /nfs/dbraw/zinc/07/11/66/185071166.db2.gz GWTRTNNVPIASIA-UHFFFAOYSA-N 0 3 262.353 2.114 40 0 CEABHN O[C@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccccc1 ZINC000096069894 185086012 /nfs/dbraw/zinc/08/60/12/185086012.db2.gz WQFUXMMDJKIKSU-IRXDYDNUSA-N 0 3 268.360 2.260 40 0 CEABHN CNc1cc(CN(C)CC(C)(C)C)nc([C@H]2CCCN2)n1 ZINC000019759905 343374566 /nfs/dbraw/zinc/37/45/66/343374566.db2.gz HRVWKINMYXARQC-CYBMUJFWSA-N 0 3 291.443 2.421 40 0 CEABHN COc1cc([C@@H](C)NC(=O)C(C)(C)N)ccc1OC(C)C ZINC000237088220 539307961 /nfs/dbraw/zinc/30/79/61/539307961.db2.gz ZTZDHODVVBLWLQ-LLVKDONJSA-N 0 3 294.395 2.397 40 0 CEABHN CNc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(C)n1 ZINC000329012107 136377333 /nfs/dbraw/zinc/37/73/33/136377333.db2.gz MJLIRJSHIGKKFI-NSHDSACASA-N 0 3 298.390 2.443 40 0 CEABHN c1csc(CN2CCNC[C@@H]2c2ccccc2)n1 ZINC000086177434 179246950 /nfs/dbraw/zinc/24/69/50/179246950.db2.gz XQPAGIKNEWCQKH-CYBMUJFWSA-N 0 3 259.378 2.290 40 0 CEABHN CN1CCC(CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000074921057 363418964 /nfs/dbraw/zinc/41/89/64/363418964.db2.gz PPWKYQKPVJOIHL-UHFFFAOYSA-N 0 3 276.336 2.086 40 0 CEABHN CC(C)N(C[C@H]1CCCN1CCO)C(=O)OC(C)(C)C ZINC000079408078 363595134 /nfs/dbraw/zinc/59/51/34/363595134.db2.gz ZHVLTSMOZCQNNF-CYBMUJFWSA-N 0 3 286.416 2.089 40 0 CEABHN CCN(Cc1c(Cl)cccc1Cl)C(=O)CN ZINC000079420226 363598850 /nfs/dbraw/zinc/59/88/50/363598850.db2.gz WUSCJQWWDARUHD-UHFFFAOYSA-N 0 3 261.152 2.301 40 0 CEABHN CCOC(=O)c1ccccc1NC(=O)CNCC(C)C ZINC000001669921 361215010 /nfs/dbraw/zinc/21/50/10/361215010.db2.gz MWEYZKVBEZINQS-UHFFFAOYSA-N 0 3 278.352 2.047 40 0 CEABHN COc1ccc([C@H](N)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000001666003 361215405 /nfs/dbraw/zinc/21/54/05/361215405.db2.gz DUEBHXGFCXXGHK-HOTGVXAUSA-N 0 3 273.332 2.437 40 0 in-vitro CEABHN CN(C)CCNC(=O)Oc1cccc2ccccc21 ZINC000001747623 361220824 /nfs/dbraw/zinc/22/08/24/361220824.db2.gz CUFWJRJILWTQSE-UHFFFAOYSA-N 0 3 258.321 2.490 40 0 CEABHN CN(C)CCNC(=O)/C=C/c1ccc(Cl)cc1 ZINC000003069598 361262407 /nfs/dbraw/zinc/26/24/07/361262407.db2.gz NIBOJOLRCRKMRM-VMPITWQZSA-N 0 3 252.745 2.031 40 0 CEABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000011789303 361365081 /nfs/dbraw/zinc/36/50/81/361365081.db2.gz HNFWVPHAYZVSIW-CYBMUJFWSA-N 0 3 273.384 2.140 40 0 CEABHN CCn1cc(CN2CC[C@@H](CO)C2)c2cc(OC)ccc21 ZINC000019524745 361541555 /nfs/dbraw/zinc/54/15/55/361541555.db2.gz NFPSIHVMCBYDBF-CYBMUJFWSA-N 0 3 288.391 2.484 40 0 CEABHN O[C@@H](CNCc1ccccc1)COCC(F)(F)C(F)F ZINC000026897860 361647301 /nfs/dbraw/zinc/64/73/01/361647301.db2.gz ZSLJRXCSRDNBFJ-NSHDSACASA-N 0 3 295.276 2.054 40 0 CEABHN CCOC(=O)[C@@H]1[C@H]2CC[C@@H]1N(Cc1ccccc1)C2 ZINC000026895312 361647547 /nfs/dbraw/zinc/64/75/47/361647547.db2.gz HDLAPPYOWZTRFN-SOUVJXGZSA-N 0 3 259.349 2.460 40 0 CEABHN CCn1c(=O)ccc2c1CCN(Cc1ccoc1)CC2 ZINC000096196640 364408731 /nfs/dbraw/zinc/40/87/31/364408731.db2.gz FBHURKMPACZDHD-UHFFFAOYSA-N 0 3 272.348 2.062 40 0 CEABHN O[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096200338 364411387 /nfs/dbraw/zinc/41/13/87/364411387.db2.gz GIRNUCOHFXCUFY-HOTGVXAUSA-N 0 3 257.333 2.458 40 0 CEABHN O=C1[C@H]2CN(Cc3ccco3)C[C@H]2CN1c1ccsc1 ZINC000096245218 364416261 /nfs/dbraw/zinc/41/62/61/364416261.db2.gz DAABTUWJQYZITM-FZMZJTMJSA-N 0 3 288.372 2.436 40 0 CEABHN Cc1nc([C@@H]2CCCN2)nc2c1CCC(=O)N2CC(C)C ZINC000257199848 371608285 /nfs/dbraw/zinc/60/82/85/371608285.db2.gz ABAGGFLHJGYXMQ-ZDUSSCGKSA-N 0 3 288.395 2.145 40 0 CEABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2[nH]cnc2C)C1 ZINC000257228117 190015825 /nfs/dbraw/zinc/01/58/25/190015825.db2.gz FSJCSFONPJAOLG-CYBMUJFWSA-N 0 3 273.384 2.204 40 0 CEABHN COc1ccccc1[C@@H]1CNCCN1Cc1ccccn1 ZINC000257228563 190016263 /nfs/dbraw/zinc/01/62/63/190016263.db2.gz FUHXCFVFRCLHTB-INIZCTEOSA-N 0 3 283.375 2.237 40 0 CEABHN COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2C)cc1 ZINC000257246623 190019183 /nfs/dbraw/zinc/01/91/83/190019183.db2.gz IUYZADBRLKFOOI-ZOBUZTSGSA-N 0 3 288.391 2.499 40 0 CEABHN Cc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257276682 190025769 /nfs/dbraw/zinc/02/57/69/190025769.db2.gz NUSCTFFIZRYISP-HOTGVXAUSA-N 0 3 261.365 2.111 40 0 CEABHN CCOc1ccccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257281390 190026115 /nfs/dbraw/zinc/02/61/15/190026115.db2.gz OOYOEZWWBDIHOT-IRXDYDNUSA-N 0 3 291.391 2.201 40 0 CEABHN O[C@H]1CN(Cc2ccc3[nH]ccc3c2)CC[C@@]12CCCO2 ZINC000257271341 190024369 /nfs/dbraw/zinc/02/43/69/190024369.db2.gz MXXUEQQBPVCWGL-IRXDYDNUSA-N 0 3 286.375 2.284 40 0 CEABHN CO[C@H]1CCN(CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257299866 190029309 /nfs/dbraw/zinc/02/93/09/190029309.db2.gz RRZJJSQOMZLNQS-IRXDYDNUSA-N 0 3 291.391 2.335 40 0 CEABHN Cc1nc(CN2CCNCc3ccc(C)nc32)cs1 ZINC000306140539 376541623 /nfs/dbraw/zinc/54/16/23/376541623.db2.gz UWWDBWZDSBNUOS-UHFFFAOYSA-N 0 3 274.393 2.265 40 0 CEABHN O=C1CC2(CCN1)CCN(Cc1ccccc1)CC2 ZINC000001705553 284782399 /nfs/dbraw/zinc/78/23/99/284782399.db2.gz NDDZYCRYGWSPSJ-UHFFFAOYSA-N 0 3 258.365 2.179 40 0 CEABHN COc1ccc([C@H](O)[C@@H](NCCO)c2ccccc2)cc1 ZINC000001594036 169721424 /nfs/dbraw/zinc/72/14/24/169721424.db2.gz TZIFCSOXBAJUGV-IRXDYDNUSA-N 0 3 287.359 2.052 40 0 CEABHN CCCN1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216224 394593309 /nfs/dbraw/zinc/59/33/09/394593309.db2.gz ZKEHSAHONRMGKA-HNNXBMFYSA-N 0 3 275.396 2.465 40 0 CEABHN CCN1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 ZINC000072225555 394595568 /nfs/dbraw/zinc/59/55/68/394595568.db2.gz VZCUPVFRCXWNGG-GOSISDBHSA-N 0 3 296.418 2.272 40 0 CEABHN CN1CC[C@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096080385 394675605 /nfs/dbraw/zinc/67/56/05/394675605.db2.gz YLCQPSWLMCIPQB-KRWDZBQOSA-N 0 3 281.359 2.247 40 0 CEABHN c1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1 ZINC000096530149 394698224 /nfs/dbraw/zinc/69/82/24/394698224.db2.gz YHVURRGQNGVPRT-CYBMUJFWSA-N 0 3 265.320 2.216 40 0 CEABHN CC(C)N1CCC[C@@H]1c1cnc(-c2ccnn2C)cn1 ZINC000257205893 400317295 /nfs/dbraw/zinc/31/72/95/400317295.db2.gz BAZLQWTWEDRHOI-OAHLLOKOSA-N 0 3 271.368 2.422 40 0 CEABHN COc1cccc([C@H](CN)N2CCC(C)CC2)c1OC ZINC000038785090 174155347 /nfs/dbraw/zinc/15/53/47/174155347.db2.gz KURISMJAGCSGDW-AWEZNQCLSA-N 0 3 278.396 2.436 40 0 CEABHN CCN(CC)[C@H](CN)c1ccc(OC)cc1OC ZINC000038808908 174155961 /nfs/dbraw/zinc/15/59/61/174155961.db2.gz UYYJVSHOUGFOSX-CYBMUJFWSA-N 0 3 252.358 2.045 40 0 CEABHN Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(C)C2)n1 ZINC000072359946 176376744 /nfs/dbraw/zinc/37/67/44/176376744.db2.gz LKOFNRCYYAMZTH-LBPRGKRZSA-N 0 3 284.367 2.128 40 0 CEABHN CCN1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361583 176377315 /nfs/dbraw/zinc/37/73/15/176377315.db2.gz UOXXUOBJMIQXHS-GFCCVEGCSA-N 0 3 284.367 2.210 40 0 CEABHN CC(C)(C)CN1CCC[C@H]1c1cc(CCO)n[nH]1 ZINC000072361186 176377486 /nfs/dbraw/zinc/37/74/86/176377486.db2.gz TVADGCXWYNLUEV-ZDUSSCGKSA-N 0 3 251.374 2.128 40 0 CEABHN CN1CCC[C@@H](c2cncc(NCCc3ccccn3)n2)C1 ZINC000072365199 176380767 /nfs/dbraw/zinc/38/07/67/176380767.db2.gz VVOBNUOHOYQLJD-CQSZACIVSA-N 0 3 297.406 2.335 40 0 CEABHN Cn1nc(C2CN(CCc3ccccc3)C2)c2nccnc21 ZINC000072385010 176389394 /nfs/dbraw/zinc/38/93/94/176389394.db2.gz ZWARHIUAPSDNNC-UHFFFAOYSA-N 0 3 293.374 2.005 40 0 CEABHN Cn1cc(CN2CCC[C@H](Cc3cccnc3)C2)cn1 ZINC000072385811 176390467 /nfs/dbraw/zinc/39/04/67/176390467.db2.gz RHBGBSUMXXQDDZ-OAHLLOKOSA-N 0 3 270.380 2.270 40 0 CEABHN CC[C@]1(C)NC(=N)Nc2nc3cc(C)c(C)cc3n21 ZINC000001560962 273766156 /nfs/dbraw/zinc/76/61/56/273766156.db2.gz BFNBLCZGDVKVHS-CQSZACIVSA-N 0 3 257.341 2.285 40 0 CEABHN CCCNc1ncc(CNC[C@@H](O)c2ccccc2)cn1 ZINC000062717700 333176043 /nfs/dbraw/zinc/17/60/43/333176043.db2.gz NSKWXQRUHWQGNI-OAHLLOKOSA-N 0 3 286.379 2.122 40 0 CEABHN CCn1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000121192002 365533519 /nfs/dbraw/zinc/53/35/19/365533519.db2.gz PXDLOQHUFQZOAH-CYBMUJFWSA-N 0 3 259.357 2.006 40 0 CEABHN OC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000095932014 185032743 /nfs/dbraw/zinc/03/27/43/185032743.db2.gz JVJIYCXIYVNRHB-NWDGAFQWSA-N 0 3 259.271 2.289 40 0 CEABHN CN1CC[C@@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC000096040485 185069102 /nfs/dbraw/zinc/06/91/02/185069102.db2.gz JDMVDVDTOQKFQM-DZGCQCFKSA-N 0 3 280.343 2.100 40 0 CEABHN CO[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048128 185073210 /nfs/dbraw/zinc/07/32/10/185073210.db2.gz VLWKEIQCKFZROM-CYBMUJFWSA-N 0 3 251.326 2.050 40 0 CEABHN CC[C@@H]1N(Cc2cccnc2)CCC[C@]12CCC(=O)N2 ZINC000096052398 185074122 /nfs/dbraw/zinc/07/41/22/185074122.db2.gz KVGWFVNTZZQQSF-HOCLYGCPSA-N 0 3 273.380 2.105 40 0 CEABHN CN1CCOC[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1 ZINC000096076209 185089479 /nfs/dbraw/zinc/08/94/79/185089479.db2.gz DEZZJVDSTPJPQM-QGZVFWFLSA-N 0 3 294.439 2.138 40 0 CEABHN CCN1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076494 185090044 /nfs/dbraw/zinc/09/00/44/185090044.db2.gz CGUCYLYYQCJWEC-HNNXBMFYSA-N 0 3 295.452 2.077 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000037801791 361944536 /nfs/dbraw/zinc/94/45/36/361944536.db2.gz LLRSUAOQVYFGIS-AWEZNQCLSA-N 0 3 264.344 2.300 40 0 CEABHN CCN(CCO)Cc1cccc(Br)c1 ZINC000042222171 362071314 /nfs/dbraw/zinc/07/13/14/362071314.db2.gz DDXHBWFDWWZTHB-UHFFFAOYSA-N 0 3 258.159 2.263 40 0 CEABHN CNc1cc(CN(C)CC(C)(C)C)nc([C@@H]2CCCN2)n1 ZINC000019759902 343374487 /nfs/dbraw/zinc/37/44/87/343374487.db2.gz HRVWKINMYXARQC-ZDUSSCGKSA-N 0 3 291.443 2.421 40 0 CEABHN O=C(C1CC1)N1C[C@@H]2CC[C@H](CC1=O)N2Cc1ccccc1 ZINC000019371554 343374540 /nfs/dbraw/zinc/37/45/40/343374540.db2.gz ROIRYEOBPOJFJK-CVEARBPZSA-N 0 3 298.386 2.189 40 0 CEABHN c1cn([C@H]2CO[C@]3(C2)CCCN(Cc2ccncc2)C3)cn1 ZINC000107731413 186189241 /nfs/dbraw/zinc/18/92/41/186189241.db2.gz QDQCLGDBADXANC-SJORKVTESA-N 0 3 298.390 2.274 40 0 CEABHN O=C1[C@@H]2CN(Cc3cccnc3)C[C@@H]2CN1c1ccccc1 ZINC000107742917 186189284 /nfs/dbraw/zinc/18/92/84/186189284.db2.gz OGHHDTIIPQZBSA-NVXWUHKLSA-N 0 3 293.370 2.176 40 0 CEABHN CCN1CC[C@@]2(CCCN(Cc3ccncc3)CC2)C1=O ZINC000108528550 186221301 /nfs/dbraw/zinc/22/13/01/186221301.db2.gz SDLPMSZZJVONON-KRWDZBQOSA-N 0 3 287.407 2.306 40 0 CEABHN CCN(Cc1cccc(OC)c1)C(=O)[C@@H](N)C(C)C ZINC000079420995 363598263 /nfs/dbraw/zinc/59/82/63/363598263.db2.gz ZTRUPOXJLNDBGA-AWEZNQCLSA-N 0 3 264.369 2.027 40 0 CEABHN CCOc1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000146558435 366574081 /nfs/dbraw/zinc/57/40/81/366574081.db2.gz RAMBSSFQLNCHPW-UHFFFAOYSA-N 0 3 276.380 2.043 40 0 CEABHN CN1[C@@H]2CC[C@H]1CC(O)(c1ccc(Cl)cn1)C2 ZINC000002529347 361237686 /nfs/dbraw/zinc/23/76/86/361237686.db2.gz FESHDPFQCTYRRL-QYJAPNMZSA-N 0 3 252.745 2.179 40 0 CEABHN CC1(C)NC(=N)NC(=N)N1c1cc(Cl)ccc1Cl ZINC000016981852 361500811 /nfs/dbraw/zinc/50/08/11/361500811.db2.gz NSPSLCYVKZBTBT-UHFFFAOYSA-N 0 3 286.166 2.179 40 0 CEABHN COc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000019118457 361519070 /nfs/dbraw/zinc/51/90/70/361519070.db2.gz IRIPJNBZGPCWAX-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccc(C[N@H+]2CC[C@@H](c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000019118457 361519076 /nfs/dbraw/zinc/51/90/76/361519076.db2.gz IRIPJNBZGPCWAX-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN Cc1nc(C)c(C(=O)NCC(C)(C)N2CCCCC2)o1 ZINC000019657729 361546965 /nfs/dbraw/zinc/54/69/65/361546965.db2.gz BITVJIYMWBURAG-UHFFFAOYSA-N 0 3 279.384 2.286 40 0 CEABHN COCCNCc1ccc(OCC(C)C)c(OC)c1 ZINC000032115605 361728176 /nfs/dbraw/zinc/72/81/76/361728176.db2.gz NKHCJWABMKAFNT-UHFFFAOYSA-N 0 3 267.369 2.466 40 0 CEABHN COc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cccnc2)cc1 ZINC000096200100 364409055 /nfs/dbraw/zinc/40/90/55/364409055.db2.gz ZWQJRIHGQLHUGM-ZWKOTPCHSA-N 0 3 298.386 2.268 40 0 CEABHN CCN1CC[C@@]2(c3ccccc3)CCN(C(C)=O)C[C@H]12 ZINC000096251897 364415958 /nfs/dbraw/zinc/41/59/58/364415958.db2.gz ADFKGDUQBPZDFV-IRXDYDNUSA-N 0 3 272.392 2.271 40 0 CEABHN CCC(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251817 364417168 /nfs/dbraw/zinc/41/71/68/364417168.db2.gz BWMHZOIKSIBNDQ-WBVHZDCISA-N 0 3 272.392 2.271 40 0 CEABHN CN(C)c1ncnc2c1CCN(Cc1ccccc1)CC2 ZINC000096255386 364418335 /nfs/dbraw/zinc/41/83/35/364418335.db2.gz BSDIRYLODDUMNC-UHFFFAOYSA-N 0 3 282.391 2.143 40 0 CEABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(CC(C)(C)C)C2 ZINC000225428456 370293900 /nfs/dbraw/zinc/29/39/00/370293900.db2.gz CDBYBHABQUOBKE-HNNXBMFYSA-N 0 3 291.439 2.439 40 0 biogenic,in-vitro CEABHN Cc1cccc(N2CCC[C@H](N(C)Cc3cnc[nH]3)C2)n1 ZINC000257328540 371613367 /nfs/dbraw/zinc/61/33/67/371613367.db2.gz XGCSEJOMVWWDTF-HNNXBMFYSA-N 0 3 285.395 2.214 40 0 CEABHN CCN(CC)CCNCc1cnn(C2CCCC2)c1 ZINC000256053613 190004770 /nfs/dbraw/zinc/00/47/70/190004770.db2.gz SCIIJOHFPVTPMI-UHFFFAOYSA-N 0 3 264.417 2.430 40 0 CEABHN Cc1c[nH]nc1[C@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000257210310 190012545 /nfs/dbraw/zinc/01/25/45/190012545.db2.gz BUBHZMNNGCLVKF-ZDUSSCGKSA-N 0 3 273.384 2.485 40 0 CEABHN O[C@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2F)CC1 ZINC000257213683 190013117 /nfs/dbraw/zinc/01/31/17/190013117.db2.gz CIQPYJJYXVEWKF-CVEARBPZSA-N 0 3 293.382 2.413 40 0 CEABHN Cn1cncc1C1CCN(Cc2ccncc2)CC1 ZINC000257232120 190017118 /nfs/dbraw/zinc/01/71/18/190017118.db2.gz GJMMNXAIBGGQSQ-UHFFFAOYSA-N 0 3 256.353 2.195 40 0 CEABHN CCn1nccc1-c1cc(C)nc([C@@H]2CCCN2)n1 ZINC000257244744 190019071 /nfs/dbraw/zinc/01/90/71/190019071.db2.gz IMPKSXOUYGGGHJ-NSHDSACASA-N 0 3 257.341 2.093 40 0 CEABHN Cc1cc(C)n2ncc(CN3CC[C@@H](c4cc[nH]n4)C3)c2n1 ZINC000257251849 190019787 /nfs/dbraw/zinc/01/97/87/190019787.db2.gz JSNBNUQNOBRHKI-CYBMUJFWSA-N 0 3 296.378 2.059 40 0 CEABHN CN1CCC(Cc2ccccc2)(C(=O)NCC2CC2)CC1 ZINC000257251688 190020346 /nfs/dbraw/zinc/02/03/46/190020346.db2.gz JRTSFTWXWHSVOK-UHFFFAOYSA-N 0 3 286.419 2.467 40 0 CEABHN CCc1nc(C)c(CN2CCC[C@H](c3cc[nH]n3)C2)[nH]1 ZINC000257255009 190021004 /nfs/dbraw/zinc/02/10/04/190021004.db2.gz KFSNPQLOQKEEJX-LBPRGKRZSA-N 0 3 273.384 2.383 40 0 CEABHN Cc1cc(Nc2ccccn2)nc([C@H]2CCCN2)n1 ZINC000257296915 190028751 /nfs/dbraw/zinc/02/87/51/190028751.db2.gz REZSUINLXBZWHH-LLVKDONJSA-N 0 3 255.325 2.348 40 0 CEABHN CC1(C)NC(=N)NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000001666573 394452203 /nfs/dbraw/zinc/45/22/03/394452203.db2.gz FPULLBVUFHTKQQ-UHFFFAOYSA-N 0 3 286.166 2.179 40 0 CEABHN CCOC(=O)[C@@H](CN)C(C)(C)Nc1ccccc1 ZINC000072210414 394592318 /nfs/dbraw/zinc/59/23/18/394592318.db2.gz OLCGLIJGKHIGFG-GFCCVEGCSA-N 0 3 250.342 2.015 40 0 CEABHN CCN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216179 394593142 /nfs/dbraw/zinc/59/31/42/394593142.db2.gz QHNAMJQGCIHUHM-HNNXBMFYSA-N 0 3 275.396 2.465 40 0 CEABHN CCN1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216239 394593261 /nfs/dbraw/zinc/59/32/61/394593261.db2.gz IWONFYSGKVFFII-HNNXBMFYSA-N 0 3 275.396 2.465 40 0 CEABHN CCN1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072225556 394595550 /nfs/dbraw/zinc/59/55/50/394595550.db2.gz VZCUPVFRCXWNGG-SFHVURJKSA-N 0 3 296.418 2.272 40 0 CEABHN CC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccco1 ZINC000096083006 394676922 /nfs/dbraw/zinc/67/69/22/394676922.db2.gz XUEKWUWOAXYEOU-QWHCGFSZSA-N 0 3 262.353 2.224 40 0 CEABHN O=C(CN1CCCCCC1)NCCc1ccc(F)cc1 ZINC000004968565 170046883 /nfs/dbraw/zinc/04/68/83/170046883.db2.gz JHEKGAIZRVGERM-UHFFFAOYSA-N 0 3 278.371 2.360 40 0 CEABHN COc1ccccc1NC(=S)NC[C@H]1CCCN(C)C1 ZINC000009876349 170388502 /nfs/dbraw/zinc/38/85/02/170388502.db2.gz SKZOXFPKXWNCEV-GFCCVEGCSA-N 0 3 293.436 2.323 40 0 CEABHN Cn1cc(CN2CCC(c3ccncc3)CC2)cn1 ZINC000072351195 176374322 /nfs/dbraw/zinc/37/43/22/176374322.db2.gz HUHSLRQQMTXHFT-UHFFFAOYSA-N 0 3 256.353 2.195 40 0 CEABHN CCN(Cc1ccccc1Br)C(=O)[C@H](C)N ZINC000079420905 177488106 /nfs/dbraw/zinc/48/81/06/177488106.db2.gz BISLFWDLRBABJY-VIFPVBQESA-N 0 3 285.185 2.145 40 0 CEABHN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CNC[C@@H]21 ZINC000306143098 280352295 /nfs/dbraw/zinc/35/22/95/280352295.db2.gz XTHKFOQQZHVBNJ-JSGCOSHPSA-N 0 3 291.397 2.258 40 0 CEABHN C=Cn1ncc(CN2CC[C@@]3(O)CCCC[C@H]3C2)c1C ZINC000257329533 327136611 /nfs/dbraw/zinc/13/66/11/327136611.db2.gz XKJBIGFPYFIZLS-HOTGVXAUSA-N 0 3 275.396 2.419 40 0 CEABHN C[C@H](O)c1ccc(-c2ccc(CNCCO)o2)cc1 ZINC000007540815 230370089 /nfs/dbraw/zinc/37/00/89/230370089.db2.gz HDVUQKABCCYKEW-NSHDSACASA-N 0 3 261.321 2.082 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1scnc1C)C2 ZINC000096065001 185084336 /nfs/dbraw/zinc/08/43/36/185084336.db2.gz MPWGFTVATGFOKA-LSDHHAIUSA-N 0 3 296.436 2.469 40 0 CEABHN COc1ccc(CN2CCC[C@]3(C[C@H](OC)CO3)C2)cc1 ZINC000096107417 185099675 /nfs/dbraw/zinc/09/96/75/185099675.db2.gz RQXYGPPQFBFRSS-IRXDYDNUSA-N 0 3 291.391 2.465 40 0 CEABHN C[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000037798524 361941689 /nfs/dbraw/zinc/94/16/89/361941689.db2.gz JPCJEVPQFWUQTC-ZETCQYMHSA-N 0 3 261.152 2.299 40 0 CEABHN C[C@H](N)C(=O)N(Cc1ccccc1Br)C1CC1 ZINC000037808847 361948464 /nfs/dbraw/zinc/94/84/64/361948464.db2.gz KJBMFOPEJLAKLG-VIFPVBQESA-N 0 3 297.196 2.287 40 0 CEABHN CC(CO)(CO)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001594041 539278701 /nfs/dbraw/zinc/27/87/01/539278701.db2.gz JLJUETCGWJORJT-KRWDZBQOSA-N 0 3 285.387 2.303 40 0 CEABHN CC(C)(C)OC(=O)N([C@@H](C(=N)NO)C1CC1)C1CC1 ZINC000409442012 344889664 /nfs/dbraw/zinc/88/96/64/344889664.db2.gz SGYSTMVSYDDAJN-SNVBAGLBSA-N 0 3 269.345 2.121 40 0 CEABHN CCN(Cc1ccc(Cl)nc1)C(=O)[C@@H](N)C(C)C ZINC000091351803 180137511 /nfs/dbraw/zinc/13/75/11/180137511.db2.gz LXWZRDOVGQLZFX-LBPRGKRZSA-N 0 3 269.776 2.067 40 0 CEABHN O=C(C[C@H]1[C@H]2CN(Cc3ccco3)C[C@@H]12)Nc1cccnc1 ZINC000107745985 186189192 /nfs/dbraw/zinc/18/91/92/186189192.db2.gz DTSITRYRBUPYIU-MUJYYYPQSA-N 0 3 297.358 2.381 40 0 CEABHN Cc1ccc(OC[C@H](C)NC(=O)C2CCN(C)CC2)cc1 ZINC000073100596 363198324 /nfs/dbraw/zinc/19/83/24/363198324.db2.gz FJEKAFBNGOPTLW-AWEZNQCLSA-N 0 3 290.407 2.220 40 0 CEABHN COc1ccc(CCNC(=O)CC2CCN(C)CC2)cc1 ZINC000074920929 363418791 /nfs/dbraw/zinc/41/87/91/363418791.db2.gz MGNHGQQRXUFPOA-UHFFFAOYSA-N 0 3 290.407 2.086 40 0 CEABHN COc1cccc(C[N@@H+]2CC[C@@H](c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000019118472 361520155 /nfs/dbraw/zinc/52/01/55/361520155.db2.gz DJSJTSHPPORLPG-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN COc1cccc(C[N@H+]2CC[C@@H](c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000019118472 361520157 /nfs/dbraw/zinc/52/01/57/361520157.db2.gz DJSJTSHPPORLPG-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN CC(C)c1nc(C[C@@H]([NH3+])c2ccccc2)cc(=O)[n-]1 ZINC000019453538 361536145 /nfs/dbraw/zinc/53/61/45/361536145.db2.gz FMCRTQXUHRSZMX-CYBMUJFWSA-N 0 3 257.337 2.136 40 0 CEABHN CCn1cc(CN2CC[C@H](CO)C2)c2cc(OC)ccc21 ZINC000019524746 361541638 /nfs/dbraw/zinc/54/16/38/361541638.db2.gz NFPSIHVMCBYDBF-ZDUSSCGKSA-N 0 3 288.391 2.484 40 0 CEABHN Cc1noc(C)c1CC(=O)NCC(C)(C)N1CCCCC1 ZINC000019717439 361548324 /nfs/dbraw/zinc/54/83/24/361548324.db2.gz NGJHIVYOXJXBKP-UHFFFAOYSA-N 0 3 293.411 2.215 40 0 CEABHN CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096215944 364412653 /nfs/dbraw/zinc/41/26/53/364412653.db2.gz SBPFMWIHTIFWCI-MRXNPFEDSA-N 0 3 276.380 2.422 40 0 CEABHN O=C1CCC[C@@]2(CCCN(Cc3ccsc3)C2)N1 ZINC000096229651 364414996 /nfs/dbraw/zinc/41/49/96/364414996.db2.gz BGKOFRSCEKCTAY-AWEZNQCLSA-N 0 3 264.394 2.383 40 0 CEABHN O=C1[C@H]2CN(Cc3ccncc3)C[C@H]2CN1c1ccccc1 ZINC000096245158 364416645 /nfs/dbraw/zinc/41/66/45/364416645.db2.gz WUDNXVQDKGVUHG-RDJZCZTQSA-N 0 3 293.370 2.176 40 0 CEABHN CC(C)CN1CCc2c(CN(C)C(C)C)n[nH]c2C1 ZINC000096255854 364419068 /nfs/dbraw/zinc/41/90/68/364419068.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 0 3 264.417 2.264 40 0 CEABHN CC(C)CN1CCc2c(CN(C)C(C)C)[nH]nc2C1 ZINC000096255854 364419070 /nfs/dbraw/zinc/41/90/70/364419070.db2.gz ZEIQSJXDYSJUKQ-UHFFFAOYSA-N 0 3 264.417 2.264 40 0 CEABHN CN1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000096268562 364420928 /nfs/dbraw/zinc/42/09/28/364420928.db2.gz BCNOKJURHQLPAE-INIZCTEOSA-N 0 3 258.365 2.245 40 0 CEABHN O[C@@H]1CNCc2cc(OCc3ccccc3)ccc21 ZINC000199565113 370149133 /nfs/dbraw/zinc/14/91/33/370149133.db2.gz DEOQXIVUWSQHMB-MRXNPFEDSA-N 0 3 255.317 2.402 40 0 CEABHN c1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)cs1 ZINC000253588906 371529817 /nfs/dbraw/zinc/52/98/17/371529817.db2.gz YPRUUDNUVOBELJ-HOTGVXAUSA-N 0 3 292.448 2.433 40 0 CEABHN CNc1cc(C)nc([C@@]2(C)CCCN2C2CCOCC2)n1 ZINC000257306329 371612791 /nfs/dbraw/zinc/61/27/91/371612791.db2.gz STVOUURMJSFTTJ-MRXNPFEDSA-N 0 3 290.411 2.317 40 0 CEABHN COc1ccc2[nH]c(CN3C[C@@H]4C[C@@H](O)C[C@@H]4C3)cc2c1 ZINC000257202777 190010975 /nfs/dbraw/zinc/01/09/75/190010975.db2.gz ANKHLSKJRJCLEW-NHAGDIPZSA-N 0 3 286.375 2.379 40 0 CEABHN CN1CCC[C@@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257212078 190013135 /nfs/dbraw/zinc/01/31/35/190013135.db2.gz CBVIEAUMDWLTSW-LLVKDONJSA-N 0 3 290.367 2.021 40 0 CEABHN Cc1cccc(CN2CCCC[C@]3(C)NC(=O)CC[C@H]23)n1 ZINC000257223517 190014452 /nfs/dbraw/zinc/01/44/52/190014452.db2.gz DXSFHTMQTFJUEG-RDJZCZTQSA-N 0 3 287.407 2.413 40 0 CEABHN CCCn1ccnc1CN1CCNC[C@H]1c1ccccc1 ZINC000257252817 190020467 /nfs/dbraw/zinc/02/04/67/190020467.db2.gz JWFFNQJHZUDVBX-INIZCTEOSA-N 0 3 284.407 2.440 40 0 CEABHN Cc1c(CN2CC[C@H](Cc3nccs3)C2)cnn1C ZINC000257301143 190030666 /nfs/dbraw/zinc/03/06/66/190030666.db2.gz RXDOWZIUABEXGQ-GFCCVEGCSA-N 0 3 276.409 2.250 40 0 CEABHN CN1CCC(c2ccnc(Nc3ccccn3)n2)CC1 ZINC000257316092 190032911 /nfs/dbraw/zinc/03/29/11/190032911.db2.gz VEBUYUQNWKVDEK-UHFFFAOYSA-N 0 3 269.352 2.424 40 0 CEABHN Cc1cccnc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257317110 190032978 /nfs/dbraw/zinc/03/29/78/190032978.db2.gz VILOLMSCECBULV-YOEHRIQHSA-N 0 3 287.407 2.479 40 0 CEABHN O=c1[nH]c2c(s1)CCC[C@@H]2CN1CCCCC1 ZINC000001656004 285197458 /nfs/dbraw/zinc/19/74/58/285197458.db2.gz TWJMLASFDJYHCG-SNVBAGLBSA-N 0 3 252.383 2.342 40 0 CEABHN COc1ccc(CCNCc2cn(C)nc2C)cc1OC ZINC000020312150 171144767 /nfs/dbraw/zinc/14/47/67/171144767.db2.gz URDABDUZXPZCPC-UHFFFAOYSA-N 0 3 289.379 2.078 40 0 CEABHN Cc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000037179889 173012916 /nfs/dbraw/zinc/01/29/16/173012916.db2.gz CMKDMFWNQQCGKG-IJEWVQPXSA-N 0 3 262.397 2.412 40 0 CEABHN COc1ccc(OC)c([C@@H](CN)N2CCC(C)CC2)c1 ZINC000038827645 174156890 /nfs/dbraw/zinc/15/68/90/174156890.db2.gz YMXPDGOMTISLEZ-OAHLLOKOSA-N 0 3 278.396 2.436 40 0 CEABHN Cc1nccn1-c1cccc([C@@H]2CCCN(C)C2)n1 ZINC000072355667 176375151 /nfs/dbraw/zinc/37/51/51/176375151.db2.gz CMHJUKZFOODYNP-CYBMUJFWSA-N 0 3 256.353 2.385 40 0 CEABHN OC[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1 ZINC000072397793 176395675 /nfs/dbraw/zinc/39/56/75/176395675.db2.gz WJIKCWUJUHFSAM-CQSZACIVSA-N 0 3 271.364 2.077 40 0 CEABHN CSc1ccc(CN(C(=O)[C@H](C)N)C2CC2)cc1 ZINC000079420600 177488073 /nfs/dbraw/zinc/48/80/73/177488073.db2.gz ZFXKJZZIPRWPRO-JTQLQIEISA-N 0 3 264.394 2.247 40 0 CEABHN CNC(=O)c1sc2nc([C@H]3CCCN3C)ccc2c1N ZINC000257328139 277262459 /nfs/dbraw/zinc/26/24/59/277262459.db2.gz XEIIAEWHJZFPKD-SNVBAGLBSA-N 0 3 290.392 2.005 40 0 CEABHN N[C@@H]1CCCN(C(=O)C2CC2)[C@H]1c1ccccc1F ZINC000019368244 303454275 /nfs/dbraw/zinc/45/42/75/303454275.db2.gz HNDQZZPVIBEEMQ-KGLIPLIRSA-N 0 3 262.328 2.227 40 0 CEABHN c1coc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)c1 ZINC000096048545 185073037 /nfs/dbraw/zinc/07/30/37/185073037.db2.gz ODJOIXLINXIUPZ-GOEBONIOSA-N 0 3 287.363 2.472 40 0 CEABHN O[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096061599 185082626 /nfs/dbraw/zinc/08/26/26/185082626.db2.gz YPWUYYGQDDDCOQ-LSDHHAIUSA-N 0 3 274.389 2.321 40 0 CEABHN Cc1cc(CN[C@H]2CCc3[nH]c(=O)ccc3C2)oc1C ZINC000096067552 185085645 /nfs/dbraw/zinc/08/56/45/185085645.db2.gz VOGYYKDYRSHRFO-ZDUSSCGKSA-N 0 3 272.348 2.232 40 0 CEABHN CNc1cc(N2CCc3cc(OC)ccc3C2)nc(C)n1 ZINC000328976808 136396986 /nfs/dbraw/zinc/39/69/86/136396986.db2.gz FQGURFJWTFKNNR-UHFFFAOYSA-N 0 3 284.363 2.398 40 0 CEABHN Cc1ccc2cc(CN[C@H](CO)C(C)C)c(=O)[nH]c2c1 ZINC000585295174 345010555 /nfs/dbraw/zinc/01/05/55/345010555.db2.gz OKFOXXZHNYWKKD-OAHLLOKOSA-N 0 3 274.364 2.355 40 0 CEABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccco1)CC2 ZINC000108532381 186222450 /nfs/dbraw/zinc/22/24/50/186222450.db2.gz HNOFPPIXQCVVAP-UHFFFAOYSA-N 0 3 291.395 2.295 40 0 CEABHN CN1CCC(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000074921002 363418703 /nfs/dbraw/zinc/41/87/03/363418703.db2.gz NQCJZXPZEWTVBR-UHFFFAOYSA-N 0 3 250.317 2.496 40 0 CEABHN C1CN[C@H](c2nc([C@H]3CCCSCC3)no2)C1 ZINC000575415043 366281320 /nfs/dbraw/zinc/28/13/20/366281320.db2.gz LXHDUNREGKZGCJ-UWVGGRQHSA-N 0 3 253.371 2.495 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H](C)c1nccs1 ZINC000079436410 363599950 /nfs/dbraw/zinc/59/99/50/363599950.db2.gz ZHKAVAMWGLKIBG-MNOVXSKESA-N 0 3 269.414 2.424 40 0 CEABHN CC(C)(C)OC(=O)N1CCC2(CC1)COCC1(CCC1)N2 ZINC000306145389 540411887 /nfs/dbraw/zinc/41/18/87/540411887.db2.gz DAIYHMGWTMAULF-UHFFFAOYSA-N 0 3 296.411 2.299 40 0 CEABHN CCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000006515816 361337011 /nfs/dbraw/zinc/33/70/11/361337011.db2.gz OGEFYZIATMCIMK-UHFFFAOYSA-N 0 3 261.369 2.177 40 0 CEABHN CCC(=O)N1CCc2cc([C@H](O)CN3CCCC3)ccc21 ZINC000012181080 361374920 /nfs/dbraw/zinc/37/49/20/361374920.db2.gz IZRAIMQFVMKNHJ-MRXNPFEDSA-N 0 3 288.391 2.115 40 0 CEABHN CC(C)(C)OC(=O)NCCC[C@H](N)c1ccccn1 ZINC000012357265 361378980 /nfs/dbraw/zinc/37/89/80/361378980.db2.gz NIWBFVHKDGAWMI-NSHDSACASA-N 0 3 265.357 2.386 40 0 CEABHN COc1cc(OC)cc([C@H](CN)N2CCC(C)CC2)c1 ZINC000019840854 361561586 /nfs/dbraw/zinc/56/15/86/361561586.db2.gz HGVJAWYAYJJGDN-INIZCTEOSA-N 0 3 278.396 2.436 40 0 CEABHN Cc1nc(-c2ccccc2)nc2c1CCN(C)CC2 ZINC000096083789 364400536 /nfs/dbraw/zinc/40/05/36/364400536.db2.gz HBSQPCLIACHKSW-UHFFFAOYSA-N 0 3 253.349 2.482 40 0 CEABHN CC(C)Nc1ncnc2c1CCN(CC1CC1)CC2 ZINC000096255538 364418539 /nfs/dbraw/zinc/41/85/39/364418539.db2.gz VPIAVHZNWDFEFB-UHFFFAOYSA-N 0 3 260.385 2.108 40 0 CEABHN O[C@H]1CNCc2cc(OCc3ccccc3)ccc21 ZINC000199565100 370148999 /nfs/dbraw/zinc/14/89/99/370148999.db2.gz DEOQXIVUWSQHMB-INIZCTEOSA-N 0 3 255.317 2.402 40 0 CEABHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1Cl ZINC000224274113 370277651 /nfs/dbraw/zinc/27/76/51/370277651.db2.gz ICMCHKHQLZPXCU-UHFFFAOYSA-N 0 3 282.771 2.173 40 0 CEABHN CN1CC[C@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC000248021966 371155641 /nfs/dbraw/zinc/15/56/41/371155641.db2.gz JDMVDVDTOQKFQM-HIFRSBDPSA-N 0 3 280.343 2.100 40 0 CEABHN CNc1cc([C@@H]2CCCN2C2CCOCC2)nc(C)n1 ZINC000257205045 371611629 /nfs/dbraw/zinc/61/16/29/371611629.db2.gz AXKFUOFCOBHMBN-AWEZNQCLSA-N 0 3 276.384 2.143 40 0 CEABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2ccnc(C)n2)C1 ZINC000257308613 190031497 /nfs/dbraw/zinc/03/14/97/190031497.db2.gz TXJQPROJDQSXQR-AWEZNQCLSA-N 0 3 285.395 2.271 40 0 CEABHN Nc1nccnc1C[C@@H]1CCCN(CCC(F)(F)F)C1 ZINC000257341417 190037234 /nfs/dbraw/zinc/03/72/34/190037234.db2.gz ZKEZVWAKJDAUJU-JTQLQIEISA-N 0 3 288.317 2.266 40 0 CEABHN Cc1ccc(N2CC[C@H]3[C@H]2CCN3Cc2ccccn2)nn1 ZINC000306127594 376540641 /nfs/dbraw/zinc/54/06/41/376540641.db2.gz GCYODMMXAMATDJ-JKSUJKDBSA-N 0 3 295.390 2.033 40 0 CEABHN O=c1[n-]c(-c2ccc(C(F)(F)F)cc2)nc2c1CC[NH2+]C2 ZINC000072221331 285193583 /nfs/dbraw/zinc/19/35/83/285193583.db2.gz CVJCLRKSXWCYRA-UHFFFAOYSA-N 0 3 295.264 2.101 40 0 CEABHN CN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cccnc1 ZINC000096200840 256821637 /nfs/dbraw/zinc/82/16/37/256821637.db2.gz PXQUWURFPHAROY-CABCVRRESA-N 0 3 299.374 2.062 40 0 CEABHN NCc1ccc(S(=O)(=O)CC2CCCC2)cc1 ZINC000072220986 394594561 /nfs/dbraw/zinc/59/45/61/394594561.db2.gz HVMSUGDYRZCZPE-UHFFFAOYSA-N 0 3 253.367 2.109 40 0 CEABHN O[C@@H](COc1ccccc1)CN1CCc2ccccc2C1 ZINC000006529952 170210896 /nfs/dbraw/zinc/21/08/96/170210896.db2.gz YXZACQIXSNSCCQ-QGZVFWFLSA-N 0 3 283.371 2.485 40 0 CEABHN Cc1cccc(NC(=O)NC[C@@H]2CCCN(C)C2)c1 ZINC000009876662 170388232 /nfs/dbraw/zinc/38/82/32/170388232.db2.gz TYLVPGWQYQRUDW-ZDUSSCGKSA-N 0 3 261.369 2.458 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000022212907 171374552 /nfs/dbraw/zinc/37/45/52/171374552.db2.gz AZNIWJXAYMFWFF-WDMOLILDSA-N 0 3 268.788 2.449 40 0 CEABHN COc1ccc([C@H](CN)N2CCC(C)CC2)c(OC)c1 ZINC000038809023 174156715 /nfs/dbraw/zinc/15/67/15/174156715.db2.gz VKMISRRYXJLXNC-HNNXBMFYSA-N 0 3 278.396 2.436 40 0 CEABHN Cc1nccn1CCNc1cccc([C@@H]2CCCN2C)n1 ZINC000072365342 176380478 /nfs/dbraw/zinc/38/04/78/176380478.db2.gz RHZSXONPDUSARO-HNNXBMFYSA-N 0 3 285.395 2.465 40 0 CEABHN CNc1cncc([C@@H]2CCCN2c2ccncc2)n1 ZINC000072380947 176386983 /nfs/dbraw/zinc/38/69/83/176386983.db2.gz PSRNLKRLDJTRGI-ZDUSSCGKSA-N 0 3 255.325 2.255 40 0 CEABHN CNc1ncccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072386194 176391758 /nfs/dbraw/zinc/39/17/58/176391758.db2.gz YSNOQJADAJMTBT-GFCCVEGCSA-N 0 3 271.368 2.226 40 0 CEABHN CN1CCC[C@@H]1c1cccc(NCC2(C)COC2)n1 ZINC000072386982 176392516 /nfs/dbraw/zinc/39/25/16/176392516.db2.gz FCSPHGXXPUJFSD-CYBMUJFWSA-N 0 3 261.369 2.297 40 0 CEABHN C[C@@H]1CN2CCC[C@H]2CN1Cc1coc2ccccc2c1=O ZINC000072397547 176395022 /nfs/dbraw/zinc/39/50/22/176395022.db2.gz AUCJMMXJAUJMQV-HIFRSBDPSA-N 0 3 298.386 2.462 40 0 CEABHN CC(C)c1cc(C(=O)N(C)CCN2CCCCC2)n(C)n1 ZINC000072398012 176396229 /nfs/dbraw/zinc/39/62/29/176396229.db2.gz CLLPWELPAZPVPO-UHFFFAOYSA-N 0 3 292.427 2.101 40 0 CEABHN CCSc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717336 262299334 /nfs/dbraw/zinc/29/93/34/262299334.db2.gz GAMGTBRFCMHBHL-UHFFFAOYSA-N 0 3 290.392 2.152 40 0 CEABHN C[C@@H](N[C@H](C)C(C)(C)c1ccccc1)c1nnnn1C ZINC000189842269 270265026 /nfs/dbraw/zinc/26/50/26/270265026.db2.gz VKWXDLPYGGFQTL-VXGBXAGGSA-N 0 3 273.384 2.227 40 0 CEABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096106567 276339764 /nfs/dbraw/zinc/33/97/64/276339764.db2.gz ZIUBHNWKFMIABH-AWEZNQCLSA-N 0 3 265.353 2.440 40 0 CEABHN COCCN1CCc2ncnc(-c3ccsc3)c2CC1 ZINC000096084004 277227623 /nfs/dbraw/zinc/22/76/23/277227623.db2.gz LUDXOHQHWFUIRD-UHFFFAOYSA-N 0 3 289.404 2.252 40 0 CEABHN CC(C)N(Cc1nccc2ccccc21)C(=O)[C@H](C)N ZINC000079422200 279464703 /nfs/dbraw/zinc/46/47/03/279464703.db2.gz YFWLBIXHFIYWQW-LBPRGKRZSA-N 0 3 271.364 2.319 40 0 CEABHN CCCCOCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717820 333176090 /nfs/dbraw/zinc/17/60/90/333176090.db2.gz AUBWBXNCCWGOQG-UHFFFAOYSA-N 0 3 292.427 2.373 40 0 CEABHN c1coc(CN2CCC3(CC2)COCCN3CC2CC2)c1 ZINC000096048911 185073110 /nfs/dbraw/zinc/07/31/10/185073110.db2.gz PJNKAWZNVKHRRH-UHFFFAOYSA-N 0 3 290.407 2.356 40 0 CEABHN c1cc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)cs1 ZINC000096054993 185076125 /nfs/dbraw/zinc/07/61/25/185076125.db2.gz YPRUUDNUVOBELJ-HZPDHXFCSA-N 0 3 292.448 2.433 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000096056729 185077199 /nfs/dbraw/zinc/07/71/99/185077199.db2.gz HVXOOPYFHMJWMJ-HOTGVXAUSA-N 0 3 276.380 2.099 40 0 CEABHN Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3c2ncccn2)n1 ZINC000096064032 185083795 /nfs/dbraw/zinc/08/37/95/185083795.db2.gz JURDHVGAHBNIKR-JKSUJKDBSA-N 0 3 295.390 2.033 40 0 CEABHN C[C@H](N)C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000037801851 361944271 /nfs/dbraw/zinc/94/42/71/361944271.db2.gz OBYALXWWXALYKO-QMMMGPOBSA-N 0 3 270.735 2.317 40 0 CEABHN CC(C)(C)OC(=O)N([C@H](C(=N)NO)C1CC1)C1CC1 ZINC000409442010 344889421 /nfs/dbraw/zinc/88/94/21/344889421.db2.gz SGYSTMVSYDDAJN-JTQLQIEISA-N 0 3 269.345 2.121 40 0 CEABHN CC(C)NC(=O)C[C@H]1[C@H]2CN(Cc3ccsc3)C[C@@H]12 ZINC000107745849 186188923 /nfs/dbraw/zinc/18/89/23/186188923.db2.gz ZZQJNSGUJRCUSH-BTTYYORXSA-N 0 3 278.421 2.341 40 0 CEABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccc(C)o1)C2 ZINC000108524165 186220361 /nfs/dbraw/zinc/22/03/61/186220361.db2.gz AADFEFUVLPSMDS-GDBMZVCRSA-N 0 3 276.380 2.326 40 0 CEABHN CCOc1cncc(N2CC[C@@]3(C[C@H]4CCN3C4)C2)c1 ZINC000003937370 361294872 /nfs/dbraw/zinc/29/48/72/361294872.db2.gz LJMVVAMADGFENL-CZUORRHYSA-N 0 3 273.380 2.155 40 0 CEABHN CN1CCC[C@@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000082339218 363767908 /nfs/dbraw/zinc/76/79/08/363767908.db2.gz NFXDAXSOEKSJRV-SECBINFHSA-N 0 3 254.280 2.245 40 0 CEABHN CN1CCC[C@@H](NC(=O)CCCOc2ccccc2F)C1 ZINC000019588506 361545482 /nfs/dbraw/zinc/54/54/82/361545482.db2.gz HJRIFPPCIXSQMB-CYBMUJFWSA-N 0 3 294.370 2.195 40 0 CEABHN O[C@@H](CNCc1ccccc1)COC(F)(F)C(F)F ZINC000026897834 361647342 /nfs/dbraw/zinc/64/73/42/361647342.db2.gz HMVNYQOEKFJZQS-JTQLQIEISA-N 0 3 281.249 2.012 40 0 CEABHN Cc1cc(C)cc(CN2CC[C@@H]3NC(=O)CC[C@@H]32)c1 ZINC000096186179 364407595 /nfs/dbraw/zinc/40/75/95/364407595.db2.gz INRYSUCHTNIHAW-GJZGRUSLSA-N 0 3 258.365 2.156 40 0 CEABHN COc1ccc(CN2CC[C@H](O)[C@@H]2Cc2cccnc2)cc1 ZINC000096200435 364411265 /nfs/dbraw/zinc/41/12/65/364411265.db2.gz ZWQJRIHGQLHUGM-ROUUACIJSA-N 0 3 298.386 2.268 40 0 CEABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251819 364416424 /nfs/dbraw/zinc/41/64/24/364416424.db2.gz KHUQSPQHMNEIHO-WMZOPIPTSA-N 0 3 284.403 2.271 40 0 CEABHN CCC[C@H](C)N1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099698 367178214 /nfs/dbraw/zinc/17/82/14/367178214.db2.gz YMCUZPKWOHVKKM-XJKSGUPXSA-N 0 3 288.395 2.094 40 0 CEABHN CC(C)N1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000248179873 371167837 /nfs/dbraw/zinc/16/78/37/371167837.db2.gz XXWFKWBTPMUWEU-ZDUSSCGKSA-N 0 3 264.394 2.429 40 0 CEABHN CC(C)OCCCNCc1cn(C)nc1C(F)(F)F ZINC000256050970 190003452 /nfs/dbraw/zinc/00/34/52/190003452.db2.gz HFMXLZCDNJZIML-UHFFFAOYSA-N 0 3 279.306 2.344 40 0 CEABHN COc1cccc(CCNCc2cnn(CC(F)F)c2)c1 ZINC000256051892 190003956 /nfs/dbraw/zinc/00/39/56/190003956.db2.gz KYJPAYIWSPNOHE-UHFFFAOYSA-N 0 3 295.333 2.489 40 0 CEABHN CCCn1cc(CN2CCC[C@H](Cc3cc[nH]n3)C2)cn1 ZINC000257208582 190012624 /nfs/dbraw/zinc/01/26/24/190012624.db2.gz BMTJMYIZPJRJCU-CQSZACIVSA-N 0 3 287.411 2.471 40 0 CEABHN CN1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F ZINC000257225431 190015401 /nfs/dbraw/zinc/01/54/01/190015401.db2.gz FGEICAVWEPQOPI-HOCLYGCPSA-N 0 3 276.355 2.411 40 0 CEABHN C[C@@H]1COC(=O)N1c1cccc(C2CCN(C)CC2)n1 ZINC000257216022 190014175 /nfs/dbraw/zinc/01/41/75/190014175.db2.gz CSSUHZCLZUYVAD-LLVKDONJSA-N 0 3 275.352 2.236 40 0 CEABHN COc1cccc(OC)c1CN1CC[C@@H](c2cc[nH]n2)C1 ZINC000257283652 190026496 /nfs/dbraw/zinc/02/64/96/190026496.db2.gz OZFPERYVYYLLSH-GFCCVEGCSA-N 0 3 287.363 2.416 40 0 CEABHN c1ccc(CN2CCOC[C@@H](Cc3cnccn3)C2)cc1 ZINC000257272577 190024384 /nfs/dbraw/zinc/02/43/84/190024384.db2.gz NCXYPTXISOBWIT-INIZCTEOSA-N 0 3 283.375 2.168 40 0 CEABHN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3)n2)n1 ZINC000257310944 190031587 /nfs/dbraw/zinc/03/15/87/190031587.db2.gz UHHKFBAKXNYJMS-GFCCVEGCSA-N 0 3 284.367 2.360 40 0 CEABHN Cc1cnc([C@H]2CCCN(C(=O)C3(N)CCCC3)C2)s1 ZINC000257328590 190035081 /nfs/dbraw/zinc/03/50/81/190035081.db2.gz XGIGHSKPVZGFOZ-LBPRGKRZSA-N 0 3 293.436 2.429 40 0 CEABHN C[C@H]1CCc2c(sc3ncnc(N4CCNCC4)c23)C1 ZINC000013998635 394464631 /nfs/dbraw/zinc/46/46/31/394464631.db2.gz MSQUXTRYROOXEG-JTQLQIEISA-N 0 3 288.420 2.226 40 0 CEABHN CCSc1ncc(CNC[C@H](O)c2ccccc2)cn1 ZINC000062717308 394570816 /nfs/dbraw/zinc/57/08/16/394570816.db2.gz YZNJJJVIHPJPSO-AWEZNQCLSA-N 0 3 289.404 2.412 40 0 CEABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCOCC1 ZINC000072222518 394594455 /nfs/dbraw/zinc/59/44/55/394594455.db2.gz BVGRPPKHIIFBTD-INIZCTEOSA-N 0 3 283.375 2.275 40 0 CEABHN Cc1nc(N2CCOCC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224606 394594547 /nfs/dbraw/zinc/59/45/47/394594547.db2.gz HMMUBKHVCOWOSI-KRWDZBQOSA-N 0 3 283.375 2.275 40 0 CEABHN Cc1cc(C(=O)c2ccccc2)cnc1N1CCNCC1 ZINC000072222532 394594592 /nfs/dbraw/zinc/59/45/92/394594592.db2.gz YTBGFJBKVYBEJI-UHFFFAOYSA-N 0 3 281.359 2.031 40 0 CEABHN NC[C@H](c1cncc(Br)c1)N1CCCCC1 ZINC000096511148 394694263 /nfs/dbraw/zinc/69/42/63/394694263.db2.gz BHZIBFYFRQTFDJ-GFCCVEGCSA-N 0 3 284.201 2.330 40 0 CEABHN COc1cc2cccc3c2c(c1)C(=O)N(CCN(C)C)C3=O ZINC000005640617 170123089 /nfs/dbraw/zinc/12/30/89/170123089.db2.gz GWVMKPSKTUDDQZ-UHFFFAOYSA-N 0 3 298.342 2.006 40 0 CEABHN CN1CCC(c2cccc(N[C@@H]3CCCOC3)n2)CC1 ZINC000072386908 176392120 /nfs/dbraw/zinc/39/21/20/176392120.db2.gz FQYOPVSSXCUVAK-CQSZACIVSA-N 0 3 275.396 2.482 40 0 CEABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000072389560 176393874 /nfs/dbraw/zinc/39/38/74/176393874.db2.gz KBXIYVGKTBFGNP-UHFFFAOYSA-N 0 3 294.358 2.118 40 0 CEABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000072389560 176393875 /nfs/dbraw/zinc/39/38/75/176393875.db2.gz KBXIYVGKTBFGNP-UHFFFAOYSA-N 0 3 294.358 2.118 40 0 CEABHN C[C@@H](N[C@@H](C)C(C)(C)c1ccccc1)c1nnnn1C ZINC000189842227 270265022 /nfs/dbraw/zinc/26/50/22/270265022.db2.gz VKWXDLPYGGFQTL-NEPJUHHUSA-N 0 3 273.384 2.227 40 0 CEABHN CNc1cc([C@H]2CCCN2C2CCOCC2)nc(C)n1 ZINC000257205046 277043426 /nfs/dbraw/zinc/04/34/26/277043426.db2.gz AXKFUOFCOBHMBN-CQSZACIVSA-N 0 3 276.384 2.143 40 0 CEABHN C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C)C1 ZINC000082337167 279019210 /nfs/dbraw/zinc/01/92/10/279019210.db2.gz KQPIBFWLXXQLNF-TZMCWYRMSA-N 0 3 258.365 2.306 40 0 CEABHN Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)cc1 ZINC000072321687 281004868 /nfs/dbraw/zinc/00/48/68/281004868.db2.gz GSIIJLXFIZJLKM-NCXUSEDFSA-N 0 3 297.398 2.363 40 0 biogenic,in-vitro CEABHN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C1CCCC1)C2 ZINC000096111904 290320596 /nfs/dbraw/zinc/32/05/96/290320596.db2.gz ZUDBOSPJAHJYKR-ZFWWWQNUSA-N 0 3 286.375 2.427 40 0 biogenic,in-vitro CEABHN CC(C)[C@@H]([NH3+])c1nnc(COc2ccc(F)cc2)[n-]1 ZINC000095534741 185006612 /nfs/dbraw/zinc/00/66/12/185006612.db2.gz PFJDIKBMKJQSCO-GFCCVEGCSA-N 0 3 264.304 2.179 40 0 CEABHN CC(C)[C@@H]([NH3+])c1nc(COc2ccc(F)cc2)n[n-]1 ZINC000095534741 185006613 /nfs/dbraw/zinc/00/66/13/185006613.db2.gz PFJDIKBMKJQSCO-GFCCVEGCSA-N 0 3 264.304 2.179 40 0 CEABHN COc1ccc(CN2CCC[C@]3(CCCC(=O)N3)C2)cc1 ZINC000096049945 185074459 /nfs/dbraw/zinc/07/44/59/185074459.db2.gz OUKKDIVLTZNWJP-QGZVFWFLSA-N 0 3 288.391 2.330 40 0 CEABHN Fc1cccc(O[C@@H]2C[C@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055157 185075859 /nfs/dbraw/zinc/07/58/59/185075859.db2.gz NJDAHRFTRCEKOQ-DOTOQJQBSA-N 0 3 290.382 2.373 40 0 CEABHN CN1CCC[C@@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000096071569 185086293 /nfs/dbraw/zinc/08/62/93/185086293.db2.gz XCLXNTAOOWJNGR-CQSZACIVSA-N 0 3 264.394 2.306 40 0 CEABHN C[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000037799164 361941496 /nfs/dbraw/zinc/94/14/96/361941496.db2.gz QBXLBNYXAZAXCG-ZETCQYMHSA-N 0 3 261.152 2.299 40 0 CEABHN CSc1ccc(CN(C)C(=O)[C@@H](N)C(C)C)cc1 ZINC000037798957 361941708 /nfs/dbraw/zinc/94/17/08/361941708.db2.gz OHTIXLQFHQVDPZ-ZDUSSCGKSA-N 0 3 266.410 2.350 40 0 CEABHN Cc1ccccc1C[C@H]1CCN(Cc2cnc[nH]2)C[C@H]1O ZINC000585279832 345009745 /nfs/dbraw/zinc/00/97/45/345009745.db2.gz ZLMMOIJULRHYFT-NVXWUHKLSA-N 0 3 285.391 2.144 40 0 CEABHN Cc1oncc1CN1CCN(C2CCCCC2)CC1 ZINC000128943399 365811704 /nfs/dbraw/zinc/81/17/04/365811704.db2.gz LGSQKYBZKROQBV-UHFFFAOYSA-N 0 3 263.385 2.433 40 0 CEABHN c1cnc(NC2CC3(C2)CCN(Cc2cccnc2)C3)nc1 ZINC000108528352 186221500 /nfs/dbraw/zinc/22/15/00/186221500.db2.gz PXOOWTQXGHRPLO-UHFFFAOYSA-N 0 3 295.390 2.338 40 0 CEABHN Brc1cccc2c1ccnc2N1CCNCC1 ZINC000072206976 363120557 /nfs/dbraw/zinc/12/05/57/363120557.db2.gz WIXAPHCCZLLAQL-UHFFFAOYSA-N 0 3 292.180 2.407 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H](C)c1ccccn1 ZINC000079421846 363599383 /nfs/dbraw/zinc/59/93/83/363599383.db2.gz AYHYSKOUAFZWKZ-OCCSQVGLSA-N 0 3 263.385 2.363 40 0 CEABHN CCN(CC)C[C@@]1(C)NN=C2C(n3cccc3)=CC=CN21 ZINC000005759755 361335156 /nfs/dbraw/zinc/33/51/56/361335156.db2.gz GNFHBUATZXYEPB-INIZCTEOSA-N 0 3 285.395 2.133 40 0 CEABHN CN1CCC[C@H](C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000082339217 363767952 /nfs/dbraw/zinc/76/79/52/363767952.db2.gz NFXDAXSOEKSJRV-VIFPVBQESA-N 0 3 254.280 2.245 40 0 CEABHN c1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019372339 361529519 /nfs/dbraw/zinc/52/95/19/361529519.db2.gz VMOKBFZFSYDDDQ-QGZVFWFLSA-N 0 3 294.402 2.459 40 0 CEABHN COc1cc2ccccc2cc1C(=O)NCCN(C)C ZINC000020051081 361575223 /nfs/dbraw/zinc/57/52/23/361575223.db2.gz JXKJEZAVCSMUKP-UHFFFAOYSA-N 0 3 272.348 2.140 40 0 CEABHN O=C(c1cc(Cl)cc(Cl)c1)N1CCCNCC1 ZINC000021958385 361586862 /nfs/dbraw/zinc/58/68/62/361586862.db2.gz XDOZLFNHVDFDGW-UHFFFAOYSA-N 0 3 273.163 2.429 40 0 CEABHN COC[C@@H]1CC2(CO1)CCN(Cc1ccccn1)CC2 ZINC000096206250 364410655 /nfs/dbraw/zinc/41/06/55/364410655.db2.gz XVCXNZXVWNTXJB-HNNXBMFYSA-N 0 3 276.380 2.099 40 0 CEABHN CCOc1cccc2c(N3CCNCC3)cc(C)nc12 ZINC000225322019 370289558 /nfs/dbraw/zinc/28/95/58/370289558.db2.gz FJYLXBOZTOONDX-UHFFFAOYSA-N 0 3 271.364 2.352 40 0 CEABHN CN1CC[C@@H]2OCCC[C@@]2(COc2ncccc2F)C1 ZINC000248021971 371155520 /nfs/dbraw/zinc/15/55/20/371155520.db2.gz JDMVDVDTOQKFQM-ZFWWWQNUSA-N 0 3 280.343 2.100 40 0 CEABHN Cc1c[nH]nc1[C@H]1CCN(Cc2ncccc2C)C1 ZINC000257224483 190015107 /nfs/dbraw/zinc/01/51/07/190015107.db2.gz FBZNHWVFLUHMOC-ZDUSSCGKSA-N 0 3 256.353 2.411 40 0 CEABHN O[C@H]1CN(Cc2ccc3cc[nH]c3c2)CC[C@@]12CCCO2 ZINC000257226188 190015272 /nfs/dbraw/zinc/01/52/72/190015272.db2.gz FJMZZACRXRXYJY-IRXDYDNUSA-N 0 3 286.375 2.284 40 0 CEABHN CC1(c2nccs2)CCN([C@H]2CCOC2)CC1 ZINC000257242603 190018590 /nfs/dbraw/zinc/01/85/90/190018590.db2.gz IDHBCNUNTCOBCA-NSHDSACASA-N 0 3 252.383 2.286 40 0 CEABHN CCN(CC)C(=O)c1cc(C2CCN(C)CC2)nc(C)n1 ZINC000257252552 190021096 /nfs/dbraw/zinc/02/10/96/190021096.db2.gz JVEGOOMWSXWSPG-UHFFFAOYSA-N 0 3 290.411 2.076 40 0 CEABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000257285045 190027350 /nfs/dbraw/zinc/02/73/50/190027350.db2.gz PFKBCBBBYLFGGM-CQSZACIVSA-N 0 3 256.353 2.411 40 0 CEABHN CCn1cc(-c2cnc([C@@H]3CCCN(C)C3)cn2)cn1 ZINC000257331824 190035372 /nfs/dbraw/zinc/03/53/72/190035372.db2.gz XUKPQCADAVDZTB-GFCCVEGCSA-N 0 3 271.368 2.169 40 0 CEABHN CCSc1ncc(CNC[C@@H](O)c2ccccc2)cn1 ZINC000062717309 256722161 /nfs/dbraw/zinc/72/21/61/256722161.db2.gz YZNJJJVIHPJPSO-CQSZACIVSA-N 0 3 289.404 2.412 40 0 CEABHN CSc1ncc(CNCCCOc2ccccn2)cn1 ZINC000062717266 394571078 /nfs/dbraw/zinc/57/10/78/394571078.db2.gz VJKKWTBEAZSOGX-UHFFFAOYSA-N 0 3 290.392 2.152 40 0 CEABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCOCC1 ZINC000072222517 394594509 /nfs/dbraw/zinc/59/45/09/394594509.db2.gz BVGRPPKHIIFBTD-MRXNPFEDSA-N 0 3 283.375 2.275 40 0 CEABHN Cc1cc(-c2cc(C)nc([C@@H]3CCCN(C)C3)n2)n[nH]1 ZINC000257258287 394595583 /nfs/dbraw/zinc/59/55/83/394595583.db2.gz KTEIRCCEZJDBSZ-GFCCVEGCSA-N 0 3 271.368 2.293 40 0 CEABHN CC(C)N(C[C@@H]1CCCN1CCO)C(=O)OC(C)(C)C ZINC000079408072 394631327 /nfs/dbraw/zinc/63/13/27/394631327.db2.gz ZHVLTSMOZCQNNF-ZDUSSCGKSA-N 0 3 286.416 2.089 40 0 CEABHN COC[C@@]12CCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096110320 394677239 /nfs/dbraw/zinc/67/72/39/394677239.db2.gz BOLQCTQFBZFHBM-CVEARBPZSA-N 0 3 279.355 2.453 40 0 CEABHN CCOC(=O)[C@@H]([C@H](C)N1CCCCC1)N1CCCCC1 ZINC000019366258 285854981 /nfs/dbraw/zinc/85/49/81/285854981.db2.gz IRUSQNAIDMLKBQ-LSDHHAIUSA-N 0 3 282.428 2.278 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000022222154 171378962 /nfs/dbraw/zinc/37/89/62/171378962.db2.gz NLAGDHOLDUBGQI-WDMOLILDSA-N 0 3 268.788 2.449 40 0 CEABHN CC[C@H](Oc1ccccc1Cl)C(=O)NCCN(C)C ZINC000022519747 171389567 /nfs/dbraw/zinc/38/95/67/171389567.db2.gz QGSIUIJJGGGSAC-LBPRGKRZSA-N 0 3 284.787 2.175 40 0 CEABHN O[C@@H]1C[C@H](c2ccccc2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000072321630 176368868 /nfs/dbraw/zinc/36/88/68/176368868.db2.gz UXVPONVFEOKGFN-BRSBDYLESA-N 0 3 283.371 2.054 40 0 biogenic,in-vitro CEABHN CN1CCC[C@@H](c2ccnc(C(=O)N3CCCC3)c2)C1 ZINC000072387015 176392893 /nfs/dbraw/zinc/39/28/93/176392893.db2.gz MUKRORNPQQABBI-CQSZACIVSA-N 0 3 273.380 2.127 40 0 CEABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](SC1=NCCN1)C2=O ZINC000006755011 278430656 /nfs/dbraw/zinc/43/06/56/278430656.db2.gz YFDJJLGIQNHJNS-JQEORGNBSA-N 0 3 252.383 2.073 40 0 CEABHN N[C@@H](c1n[nH]c(-c2ccc(O)cc2)n1)c1ccc(F)cc1 ZINC000095533266 185007169 /nfs/dbraw/zinc/00/71/69/185007169.db2.gz BHPXBSYAHRCSEM-CYBMUJFWSA-N 0 3 284.294 2.365 40 0 CEABHN COc1cccc([C@@H](N)c2nnc(C(C)(C)C)[nH]2)c1 ZINC000095533592 185007188 /nfs/dbraw/zinc/00/71/88/185007188.db2.gz YYLQPGMJCYOWCG-LLVKDONJSA-N 0 3 260.341 2.159 40 0 CEABHN COc1cccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)c1 ZINC000095533592 185007190 /nfs/dbraw/zinc/00/71/90/185007190.db2.gz YYLQPGMJCYOWCG-LLVKDONJSA-N 0 3 260.341 2.159 40 0 CEABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000095534070 185007375 /nfs/dbraw/zinc/00/73/75/185007375.db2.gz VIFXVZRNRCQNTO-ZDUSSCGKSA-N 0 3 265.320 2.223 40 0 CEABHN Cc1ccc(CN2CCC3(CCN(C)C3=O)CC2)o1 ZINC000096046712 185071152 /nfs/dbraw/zinc/07/11/52/185071152.db2.gz APQGMOURTRDTKC-UHFFFAOYSA-N 0 3 262.353 2.032 40 0 CEABHN CN1CCC2(CCN(Cc3cccs3)CC2)C1=O ZINC000096046709 185071318 /nfs/dbraw/zinc/07/13/18/185071318.db2.gz CZWLNAKRXOIXHW-UHFFFAOYSA-N 0 3 264.394 2.192 40 0 CEABHN CN1CCC[C@]2(C1)CN(Cc1cccs1)CCO2 ZINC000096049060 185072946 /nfs/dbraw/zinc/07/29/46/185072946.db2.gz KPDQBGYWMBSKGJ-AWEZNQCLSA-N 0 3 266.410 2.045 40 0 CEABHN OC[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000034064128 361787669 /nfs/dbraw/zinc/78/76/69/361787669.db2.gz SOUPGWGAPDMYFM-LJQANCHMSA-N 0 3 296.414 2.365 40 0 CEABHN c1csc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054991 185076759 /nfs/dbraw/zinc/07/67/59/185076759.db2.gz NRAXYOAGABLPCC-HUUCEWRRSA-N 0 3 292.448 2.433 40 0 CEABHN Fc1ccc2nc([C@H]3CCN(Cc4ncc[nH]4)C3)[nH]c2c1 ZINC000049169023 362343015 /nfs/dbraw/zinc/34/30/15/362343015.db2.gz UCJAHDPBOBXGTB-JTQLQIEISA-N 0 3 285.326 2.415 40 0 biogenic,in-vitro CEABHN NCc1ccc(S(=O)(=O)C(F)F)c2ccccc12 ZINC000085390867 179047680 /nfs/dbraw/zinc/04/76/80/179047680.db2.gz YQMNSFDPUBSDHK-UHFFFAOYSA-N 0 3 271.288 2.295 40 0 CEABHN CC(C)(C)OC(=O)N[C@@H]1CCN(CC2CCC2)C1 ZINC000067800945 362925468 /nfs/dbraw/zinc/92/54/68/362925468.db2.gz JAEIGTZUFFYNQO-GFCCVEGCSA-N 0 3 254.374 2.386 40 0 CEABHN CCn1cc(CN2CCNC[C@@H]2c2ccccc2)cn1 ZINC000068696124 362945035 /nfs/dbraw/zinc/94/50/35/362945035.db2.gz VXNQLTBISZVTRH-MRXNPFEDSA-N 0 3 270.380 2.050 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1c(C)noc1C)C2 ZINC000107711051 186188074 /nfs/dbraw/zinc/18/80/74/186188074.db2.gz GZUKRQBPKZRFIF-CVEARBPZSA-N 0 3 294.395 2.309 40 0 CEABHN C[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000072799896 363166550 /nfs/dbraw/zinc/16/65/50/363166550.db2.gz DRMKBFNYKSICJK-LLVKDONJSA-N 0 3 264.344 2.345 40 0 CEABHN COc1cc(C)c(C(=O)NCCN(C)C)cc1C(C)C ZINC000074948317 363426388 /nfs/dbraw/zinc/42/63/88/363426388.db2.gz JEMKQTULIYMVIY-UHFFFAOYSA-N 0 3 278.396 2.418 40 0 CEABHN CC(C)(C)OC(=O)N(CC1CCN(CCO)CC1)C1CC1 ZINC000079408240 363595021 /nfs/dbraw/zinc/59/50/21/363595021.db2.gz JZIRAQHXZCNSLB-UHFFFAOYSA-N 0 3 298.427 2.090 40 0 CEABHN CC(C)(C)OC(=O)N(C[C@@H]1CCCN(CCO)C1)C1CC1 ZINC000079408227 363596223 /nfs/dbraw/zinc/59/62/23/363596223.db2.gz GVONRHMNXDNATN-CYBMUJFWSA-N 0 3 298.427 2.090 40 0 CEABHN CN1CCC(OC(=O)c2ccc3ncccc3c2)CC1 ZINC000001567568 361208917 /nfs/dbraw/zinc/20/89/17/361208917.db2.gz FUSDLEJZURVEAP-UHFFFAOYSA-N 0 3 270.332 2.486 40 0 CEABHN CCOCCCNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000004400749 361316094 /nfs/dbraw/zinc/31/60/94/361316094.db2.gz ADQOVMUDQNVVLB-JJRVBVJISA-N 0 3 296.455 2.334 40 0 CEABHN C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2cccnc2)CC1 ZINC000019339205 361528655 /nfs/dbraw/zinc/52/86/55/361528655.db2.gz CZWLDJFQTDJMFQ-BPQIPLTHSA-N 0 3 283.419 2.411 40 0 CEABHN Cc1nc([C@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc(=O)[n-]1 ZINC000019285256 361526558 /nfs/dbraw/zinc/52/65/58/361526558.db2.gz QFQXWYAXZGLQQN-ZDUSSCGKSA-N 0 3 287.338 2.207 40 0 CEABHN Cc1nc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)cc(=O)[n-]1 ZINC000019285256 361526565 /nfs/dbraw/zinc/52/65/65/361526565.db2.gz QFQXWYAXZGLQQN-ZDUSSCGKSA-N 0 3 287.338 2.207 40 0 CEABHN O=C(c1ccc(Cl)cc1Cl)N1CCCNCC1 ZINC000022145793 361586883 /nfs/dbraw/zinc/58/68/83/361586883.db2.gz XDXMEPHLXUSKIS-UHFFFAOYSA-N 0 3 273.163 2.429 40 0 CEABHN CN1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccsc1)O2 ZINC000096206742 364410139 /nfs/dbraw/zinc/41/01/39/364410139.db2.gz BAIYODQYLBSSFB-UKRRQHHQSA-N 0 3 294.420 2.121 40 0 CEABHN CN1CCC[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096268564 364420178 /nfs/dbraw/zinc/42/01/78/364420178.db2.gz UJMUZCMSWUNXBD-KRWDZBQOSA-N 0 3 272.392 2.173 40 0 CEABHN CCOc1cccc2c(N3CCNCC3)ccnc12 ZINC000225321526 370289875 /nfs/dbraw/zinc/28/98/75/370289875.db2.gz NTASNNLKZVQQSK-UHFFFAOYSA-N 0 3 257.337 2.043 40 0 CEABHN Cc1ccnc([C@@H]2CCN(Cc3cccn3C)C2)n1 ZINC000257212424 190012735 /nfs/dbraw/zinc/01/27/35/190012735.db2.gz CDIOVHLEUBIEFR-CYBMUJFWSA-N 0 3 256.353 2.113 40 0 CEABHN Cc1n[nH]cc1-c1cnc(C[C@@H]2CCCN(C)C2)cn1 ZINC000257257915 190021870 /nfs/dbraw/zinc/02/18/70/190021870.db2.gz KRPLVXHAIRBZJG-LBPRGKRZSA-N 0 3 271.368 2.059 40 0 CEABHN Cc1cc(C)nc([C@@H]2CCN(Cc3cccn3C)C2)n1 ZINC000257260439 190022069 /nfs/dbraw/zinc/02/20/69/190022069.db2.gz LCVKBGBIUWNSJL-CQSZACIVSA-N 0 3 270.380 2.421 40 0 CEABHN COc1ccccc1[C@H]1CN(C2CCOCC2)CCN1C ZINC000257300781 190029088 /nfs/dbraw/zinc/02/90/88/190029088.db2.gz RVQPZGCJSLNRQP-MRXNPFEDSA-N 0 3 290.407 2.163 40 0 CEABHN CCn1nc(C)c(CN2CC[C@H](c3cc[nH]n3)C2)c1C ZINC000257304680 190030692 /nfs/dbraw/zinc/03/06/92/190030692.db2.gz SMRZFIRWGUQAHL-ZDUSSCGKSA-N 0 3 273.384 2.232 40 0 CEABHN Nc1nccnc1C[C@H]1CCCN(CCC(F)(F)F)C1 ZINC000257341418 190037442 /nfs/dbraw/zinc/03/74/42/190037442.db2.gz ZKEZVWAKJDAUJU-SNVBAGLBSA-N 0 3 288.317 2.266 40 0 CEABHN CC(C)n1nccc1CN1CC[C@H](c2cc[nH]n2)C1 ZINC000257309926 190032134 /nfs/dbraw/zinc/03/21/34/190032134.db2.gz UCXWGLNYYFUCHC-LBPRGKRZSA-N 0 3 259.357 2.177 40 0 CEABHN COc1ccc([C@@H]2CNCCN2Cc2cc(C)on2)cc1 ZINC000257328919 190034817 /nfs/dbraw/zinc/03/48/17/190034817.db2.gz XHPRBYXGFFJRFX-INIZCTEOSA-N 0 3 287.363 2.138 40 0 CEABHN O=C(NC[C@]1(F)CCCCNC1)OCc1ccccc1 ZINC000261506698 190039899 /nfs/dbraw/zinc/03/98/99/190039899.db2.gz ADWFTSJXLGLNML-HNNXBMFYSA-N 0 3 280.343 2.395 40 0 CEABHN C[C@@H](NC[C@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306078 377563841 /nfs/dbraw/zinc/56/38/41/377563841.db2.gz JLIHSZZEZPONLG-BXUZGUMPSA-N 0 3 251.374 2.012 40 0 CEABHN Cc1nc(COC[C@@H]2CCC[C@@]23CNCCO3)cs1 ZINC000503723256 379071206 /nfs/dbraw/zinc/07/12/06/379071206.db2.gz NTPRQGJZDGNRAN-GXTWGEPZSA-N 0 3 282.409 2.127 40 0 CEABHN O=C1NCCCC12CCN(Cc1cccc(F)c1F)CC2 ZINC000072393748 176394413 /nfs/dbraw/zinc/39/44/13/176394413.db2.gz OLNSVXKRHODBSL-UHFFFAOYSA-N 0 3 294.345 2.457 40 0 CEABHN CN1CCc2nc(NCc3ccccc3)ncc2C1 ZINC000072415043 176399798 /nfs/dbraw/zinc/39/97/98/176399798.db2.gz BETDOHQZWRLVMD-UHFFFAOYSA-N 0 3 254.337 2.077 40 0 CEABHN CCN(Cc1ccc(Cl)cc1Cl)C(=O)CN ZINC000076671722 177053583 /nfs/dbraw/zinc/05/35/83/177053583.db2.gz VCCRLKULYYKFMK-UHFFFAOYSA-N 0 3 261.152 2.301 40 0 CEABHN CC[C@@]1(C)NC(=N)Nc2nc3cc(C)c(C)cc3n21 ZINC000002030136 273739234 /nfs/dbraw/zinc/73/92/34/273739234.db2.gz BFNBLCZGDVKVHS-AWEZNQCLSA-N 0 3 257.341 2.285 40 0 CEABHN CN1CCN(C2CCOCC2)C[C@H]1c1ccccc1 ZINC000257268219 277104140 /nfs/dbraw/zinc/10/41/40/277104140.db2.gz MKSPTYXCZQVDMR-INIZCTEOSA-N 0 3 260.381 2.154 40 0 CEABHN CCN1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC000096040676 185069259 /nfs/dbraw/zinc/06/92/59/185069259.db2.gz CPXYMVKVSJLIQR-IMJJTQAJSA-N 0 3 278.396 2.211 40 0 CEABHN O=C1CC[C@@]2(CCCN(Cc3ccc(F)cc3)CC2)N1 ZINC000096047452 185072925 /nfs/dbraw/zinc/07/29/25/185072925.db2.gz UQIAJWMACFJVBU-MRXNPFEDSA-N 0 3 276.355 2.460 40 0 CEABHN c1coc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053721 185074966 /nfs/dbraw/zinc/07/49/66/185074966.db2.gz BYTKRPZSTBUPQP-HOTGVXAUSA-N 0 3 283.375 2.238 40 0 CEABHN COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)o2)O1 ZINC000096056378 185077104 /nfs/dbraw/zinc/07/71/04/185077104.db2.gz CPQYEYCRSDJMBQ-RBSFLKMASA-N 0 3 265.353 2.356 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccccc1Cl ZINC000037798645 361941592 /nfs/dbraw/zinc/94/15/92/361941592.db2.gz MTVPLCOXNLDOSE-LBPRGKRZSA-N 0 3 254.761 2.282 40 0 CEABHN Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO ZINC000008635313 343362922 /nfs/dbraw/zinc/36/29/22/343362922.db2.gz CBZIFLPQVPNAQM-ZNMIVQPWSA-N 0 3 289.423 2.248 40 0 biogenic,in-vitro CEABHN CNCc1cc(OC)c(SCCF)cc1OC ZINC000085390911 179048137 /nfs/dbraw/zinc/04/81/37/179048137.db2.gz GSQNPELRERADHD-UHFFFAOYSA-N 0 3 259.346 2.485 40 0 CEABHN COc1ccccc1CN1CC[C@]2(CCN(C(C)=O)C2)C1 ZINC000063527619 362768380 /nfs/dbraw/zinc/76/83/80/362768380.db2.gz OOVFTNZHNZQELC-KRWDZBQOSA-N 0 3 288.391 2.140 40 0 CEABHN CN1CCC(c2cnc(N3C(=O)OCC3(C)C)cn2)CC1 ZINC000257250085 282723044 /nfs/dbraw/zinc/72/30/44/282723044.db2.gz JKZAEMMQHYXXEN-UHFFFAOYSA-N 0 3 290.367 2.021 40 0 CEABHN CC[C@H]1CNCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000203815040 540295148 /nfs/dbraw/zinc/29/51/48/540295148.db2.gz NPZTVFQGUQUOKX-LBPRGKRZSA-N 0 3 284.400 2.155 40 0 CEABHN CC(C)N(Cc1ccc(Cl)cc1)C(=O)[C@H](C)N ZINC000079420322 363598554 /nfs/dbraw/zinc/59/85/54/363598554.db2.gz KDZLHMIEYCTQEH-JTQLQIEISA-N 0 3 254.761 2.424 40 0 CEABHN OCCN(CCO)C1c2ccccc2-c2ccccc21 ZINC000001602451 361210809 /nfs/dbraw/zinc/21/08/09/361210809.db2.gz GMXHQOYORGJCHS-UHFFFAOYSA-N 0 3 269.344 2.043 40 0 CEABHN CC(=O)O[C@H]1CCN(Cc2ccco2)[C@@H](C)[C@@H]1C ZINC000004127442 361301155 /nfs/dbraw/zinc/30/11/55/361301155.db2.gz HAVUOHMCCLLASZ-MJVIPROJSA-N 0 3 251.326 2.442 40 0 CEABHN CC(C)(C)OC(=O)NCCC[C@@H](N)c1ccccn1 ZINC000012357264 361379542 /nfs/dbraw/zinc/37/95/42/361379542.db2.gz NIWBFVHKDGAWMI-LLVKDONJSA-N 0 3 265.357 2.386 40 0 CEABHN CCc1ccc(CN[C@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096189599 364407524 /nfs/dbraw/zinc/40/75/24/364407524.db2.gz WGKRDSKNGUUZGA-LBPRGKRZSA-N 0 3 272.348 2.177 40 0 CEABHN O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(C1CCCC1)C2 ZINC000096111766 364400572 /nfs/dbraw/zinc/40/05/72/364400572.db2.gz FVXZRXFNUZZAQF-JSGCOSHPSA-N 0 3 272.348 2.403 40 0 biogenic,in-vitro CEABHN COc1ccc(CN2CCC3(C[C@H](OC)CO3)CC2)cc1 ZINC000096158771 364402498 /nfs/dbraw/zinc/40/24/98/364402498.db2.gz HQMKVCBVJCZRBN-INIZCTEOSA-N 0 3 291.391 2.465 40 0 CEABHN CCO[C@@H]1COC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC000096158720 364402514 /nfs/dbraw/zinc/40/25/14/364402514.db2.gz BXJSUELUQNXEBZ-AWEZNQCLSA-N 0 3 294.395 2.451 40 0 CEABHN Cc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000096157704 364402648 /nfs/dbraw/zinc/40/26/48/364402648.db2.gz YAKUCZUUEWSADC-UHFFFAOYSA-N 0 3 258.365 2.097 40 0 CEABHN O[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1ccccc1 ZINC000096200001 364409038 /nfs/dbraw/zinc/40/90/38/364409038.db2.gz YQWFUKSGKBQPCS-JKSUJKDBSA-N 0 3 257.333 2.458 40 0 CEABHN Cc1ccc(CN2CCC3(CN(C)C3=O)CC2)cc1C ZINC000096202811 364410337 /nfs/dbraw/zinc/41/03/37/364410337.db2.gz BMWFUXRPIDFCKK-UHFFFAOYSA-N 0 3 272.392 2.358 40 0 CEABHN CN1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1ccccc1)O2 ZINC000096208426 364411502 /nfs/dbraw/zinc/41/15/02/364411502.db2.gz DNJQBMXPRMQFSS-NVXWUHKLSA-N 0 3 288.391 2.060 40 0 CEABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251821 364415792 /nfs/dbraw/zinc/41/57/92/364415792.db2.gz KHUQSPQHMNEIHO-FUHWJXTLSA-N 0 3 284.403 2.271 40 0 CEABHN CC(=O)[C@@](C)(O)CN1CCC(Nc2cccc(C)c2)CC1 ZINC000330861218 203324761 /nfs/dbraw/zinc/32/47/61/203324761.db2.gz PUZBEJZNTXXMQU-KRWDZBQOSA-N 0 3 290.407 2.211 40 0 CEABHN Cc1cccc(N2CCC[C@@H](N(C)Cc3cnc[nH]3)C2)n1 ZINC000257328541 371613590 /nfs/dbraw/zinc/61/35/90/371613590.db2.gz XGCSEJOMVWWDTF-OAHLLOKOSA-N 0 3 285.395 2.214 40 0 CEABHN CCn1cc(-c2cncc(C3CCN(C)CC3)n2)cn1 ZINC000257208744 190012542 /nfs/dbraw/zinc/01/25/42/190012542.db2.gz BNLUEKWLGZZXHX-UHFFFAOYSA-N 0 3 271.368 2.169 40 0 CEABHN c1ccc(CCN2CCOC[C@@H](Cc3ncccn3)C2)cc1 ZINC000257230186 190016136 /nfs/dbraw/zinc/01/61/36/190016136.db2.gz GBFIMVOBWJOLCP-KRWDZBQOSA-N 0 3 297.402 2.210 40 0 CEABHN CCn1cc(CN2CCC[C@H](Cc3n[nH]cc3C)C2)cn1 ZINC000257242983 190018248 /nfs/dbraw/zinc/01/82/48/190018248.db2.gz IFBLANPSVXYIEP-CQSZACIVSA-N 0 3 287.411 2.389 40 0 CEABHN OCC[C@H]1CNCc2ccc(Br)cc21 ZINC000095868229 285267212 /nfs/dbraw/zinc/26/72/12/285267212.db2.gz MTEXGWZWBPJLGY-VIFPVBQESA-N 0 3 256.143 2.018 40 0 CEABHN Cc1ccc(NC(=O)[C@H]2CN(C)Cc3cn(C)nc32)c(C)c1 ZINC000019701311 394469534 /nfs/dbraw/zinc/46/95/34/394469534.db2.gz KPUJCUJVBAJJHE-AWEZNQCLSA-N 0 3 298.390 2.205 40 0 CEABHN Cc1cc(N2CCN(C)CC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223612 394594314 /nfs/dbraw/zinc/59/43/14/394594314.db2.gz DTVAIGHJYZXREG-SFHVURJKSA-N 0 3 296.418 2.190 40 0 CEABHN C[C@@](F)(CN)c1ccc(I)cc1 ZINC000201652444 400298779 /nfs/dbraw/zinc/29/87/79/400298779.db2.gz XDIKWYATCBJREJ-SECBINFHSA-N 0 3 279.096 2.435 40 0 CEABHN CCCOc1ccc2nc(N3CCNCC3)sc2c1 ZINC000072209858 176342755 /nfs/dbraw/zinc/34/27/55/176342755.db2.gz MZDAGQIYTXWCOS-UHFFFAOYSA-N 0 3 277.393 2.495 40 0 CEABHN CC(C)Nc1ncc(CNCCCOC(C)C)cn1 ZINC000062717644 262302341 /nfs/dbraw/zinc/30/23/41/262302341.db2.gz AGUWYYCOAODHHO-UHFFFAOYSA-N 0 3 266.389 2.202 40 0 CEABHN Cc1cc(-c2cc([C@@H]3CCCCN3)nc(C)n2)n[nH]1 ZINC000257316946 280284665 /nfs/dbraw/zinc/28/46/65/280284665.db2.gz VHRHEVCAAFDOOJ-NSHDSACASA-N 0 3 257.341 2.298 40 0 CEABHN Cc1ccc(CNCCNc2nc(C)cc(C)n2)o1 ZINC000062717890 333176132 /nfs/dbraw/zinc/17/61/32/333176132.db2.gz OUQDJGVQWSIHHC-UHFFFAOYSA-N 0 3 260.341 2.197 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096038970 185069745 /nfs/dbraw/zinc/06/97/45/185069745.db2.gz RPAIPOFUMNRCFZ-CABCVRRESA-N 0 3 265.353 2.297 40 0 CEABHN c1cncc(O[C@H]2CN(CC3CC3)[C@H]3CCCO[C@H]23)c1 ZINC000096058088 185078857 /nfs/dbraw/zinc/07/88/57/185078857.db2.gz AWBDSCWTNQXCSO-JYJNAYRXSA-N 0 3 274.364 2.102 40 0 CEABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1ccoc1 ZINC000096080733 185091151 /nfs/dbraw/zinc/09/11/51/185091151.db2.gz AHWJNYXLTFRFEF-JSGCOSHPSA-N 0 3 288.372 2.436 40 0 CEABHN Cc1cc(OCC(=O)NC2CCN(C)CC2)ccc1Cl ZINC000061031165 362674448 /nfs/dbraw/zinc/67/44/48/362674448.db2.gz ORWOZLGTGLSQRK-UHFFFAOYSA-N 0 3 296.798 2.238 40 0 CEABHN Cc1cc(C)nc(NCCCNCc2cccnc2)n1 ZINC000062717852 362721510 /nfs/dbraw/zinc/72/15/10/362721510.db2.gz LKOCILOIDKMCTM-UHFFFAOYSA-N 0 3 271.368 2.080 40 0 CEABHN c1coc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)c1 ZINC000107731331 186189364 /nfs/dbraw/zinc/18/93/64/186189364.db2.gz ODJOIXLINXIUPZ-GDBMZVCRSA-N 0 3 287.363 2.472 40 0 CEABHN c1ccc(CN2CCN(c3ccncc3)CC2)cc1 ZINC000006096301 361335282 /nfs/dbraw/zinc/33/52/82/361335282.db2.gz GSKPQNFOPJYZEC-UHFFFAOYSA-N 0 3 253.349 2.404 40 0 CEABHN Clc1cccc(Cl)c1OC[C@@H]1CNCCO1 ZINC000011587467 361359077 /nfs/dbraw/zinc/35/90/77/361359077.db2.gz HRMLRPDFYGVAAF-QMMMGPOBSA-N 0 3 262.136 2.361 40 0 CEABHN COc1cccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285258 361527327 /nfs/dbraw/zinc/52/73/27/361527327.db2.gz PIZJRIXZJITVMN-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN COc1cccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285258 361527330 /nfs/dbraw/zinc/52/73/30/361527330.db2.gz PIZJRIXZJITVMN-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN CCc1noc(C)c1C(=O)NC[C@H]1CCCCN1CC ZINC000019521277 361542089 /nfs/dbraw/zinc/54/20/89/361542089.db2.gz CSAINSJXKBKGSK-GFCCVEGCSA-N 0 3 279.384 2.150 40 0 CEABHN CCN1CCC[C@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097372 364340335 /nfs/dbraw/zinc/34/03/35/364340335.db2.gz SBTACHXIMUIIKD-JTQLQIEISA-N 0 3 265.748 2.137 40 0 CEABHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096215251 364412542 /nfs/dbraw/zinc/41/25/42/364412542.db2.gz YHDWRDSACVMGEU-OAHLLOKOSA-N 0 3 278.421 2.235 40 0 CEABHN CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251818 364415730 /nfs/dbraw/zinc/41/57/30/364415730.db2.gz BWMHZOIKSIBNDQ-NVXWUHKLSA-N 0 3 272.392 2.271 40 0 CEABHN CC(C)Nc1ncnc2c1CCN(Cc1ccncc1)CC2 ZINC000096255514 364418531 /nfs/dbraw/zinc/41/85/31/364418531.db2.gz NKQWTDSHQISKKO-UHFFFAOYSA-N 0 3 297.406 2.293 40 0 CEABHN CCn1c2ncccc2nc1[C@@H](N)CCSC ZINC000111348800 364729394 /nfs/dbraw/zinc/72/93/94/364729394.db2.gz QISXGYYDQAANPY-VIFPVBQESA-N 0 3 250.371 2.204 40 0 CEABHN CO[C@@H]1CC[C@H]2N(C(=O)C3CCN(C)CC3)CC[C@@]2(C)C1 ZINC000257302522 371611004 /nfs/dbraw/zinc/61/10/04/371611004.db2.gz SDFAVDDOKFLYCE-INMHGKMJSA-N 0 3 294.439 2.134 40 0 CEABHN Cc1cncc([C@@H]2CCCN2CC2CCOCC2)n1 ZINC000257344606 371613928 /nfs/dbraw/zinc/61/39/28/371613928.db2.gz ZXYXYUQNIJUPIF-HNNXBMFYSA-N 0 3 261.369 2.349 40 0 CEABHN CC(C)OCCCNCc1cc(C(F)(F)F)nn1C ZINC000256049613 190002589 /nfs/dbraw/zinc/00/25/89/190002589.db2.gz AQQNYWBQTIFRHT-UHFFFAOYSA-N 0 3 279.306 2.344 40 0 CEABHN FC(F)Cn1ccc(CNCCc2ccccc2)n1 ZINC000256049491 190002664 /nfs/dbraw/zinc/00/26/64/190002664.db2.gz AECUVUHAENFOET-UHFFFAOYSA-N 0 3 265.307 2.481 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3cnn(C)c3)C2)c1 ZINC000257217219 190014035 /nfs/dbraw/zinc/01/40/35/190014035.db2.gz CYBRFAPCIWITOP-CQSZACIVSA-N 0 3 285.395 2.155 40 0 CEABHN CC1(c2nccs2)CCN([C@@H]2CCOC2)CC1 ZINC000257242602 190018356 /nfs/dbraw/zinc/01/83/56/190018356.db2.gz IDHBCNUNTCOBCA-LLVKDONJSA-N 0 3 252.383 2.286 40 0 CEABHN COCCN1CCC[C@@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257249942 190019820 /nfs/dbraw/zinc/01/98/20/190019820.db2.gz JKIZXPTUOJHNTF-CYBMUJFWSA-N 0 3 286.379 2.298 40 0 CEABHN CN1CCC(c2cncc(N3C(=O)OCC3(C)C)n2)CC1 ZINC000257284096 190026519 /nfs/dbraw/zinc/02/65/19/190026519.db2.gz PBFFVZPWXUUUFF-UHFFFAOYSA-N 0 3 290.367 2.021 40 0 CEABHN Cc1n[nH]cc1CN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257284971 190026728 /nfs/dbraw/zinc/02/67/28/190026728.db2.gz PFCJBCRZUOXKTH-ZDUSSCGKSA-N 0 3 271.368 2.196 40 0 CEABHN Cc1n[nH]cc1CN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257284970 190027361 /nfs/dbraw/zinc/02/73/61/190027361.db2.gz PFCJBCRZUOXKTH-CYBMUJFWSA-N 0 3 271.368 2.196 40 0 CEABHN CCN1CC[C@]2(c3ccccc3)CCN(C(C)=O)C[C@H]12 ZINC000096251898 256834549 /nfs/dbraw/zinc/83/45/49/256834549.db2.gz ADFKGDUQBPZDFV-DLBZAZTESA-N 0 3 272.392 2.271 40 0 CEABHN CN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216177 394593709 /nfs/dbraw/zinc/59/37/09/394593709.db2.gz PGFVPJUPXFNDRH-AWEZNQCLSA-N 0 3 261.369 2.075 40 0 CEABHN CO[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057403 394675796 /nfs/dbraw/zinc/67/57/96/394675796.db2.gz CBFAJJAPTOIZKT-AGIUHOORSA-N 0 3 253.367 2.126 40 0 CEABHN CC[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(C)n1 ZINC000096081821 394676125 /nfs/dbraw/zinc/67/61/25/394676125.db2.gz YMFCTVLMXBBOSO-UAGQMJEPSA-N 0 3 289.423 2.074 40 0 CEABHN CN1CCc2nc(Cl)c(Br)cc2C1 ZINC000096510601 394694239 /nfs/dbraw/zinc/69/42/39/394694239.db2.gz ZILVJFVRGMGQER-UHFFFAOYSA-N 0 3 261.550 2.485 40 0 CEABHN NC[C@H](c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000022210463 171373380 /nfs/dbraw/zinc/37/33/80/171373380.db2.gz DTMYKPFBKABTRB-GFCCVEGCSA-N 0 3 274.286 2.037 40 0 CEABHN COc1cc(OC)c([C@@H](CN)N2CCCCC2)c(OC)c1 ZINC000037376733 173165145 /nfs/dbraw/zinc/16/51/45/173165145.db2.gz ULBYACIGLSGVRC-CYBMUJFWSA-N 0 3 294.395 2.198 40 0 CEABHN CC(C)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 ZINC000039952248 174176984 /nfs/dbraw/zinc/17/69/84/174176984.db2.gz UHKFCNJIUKFZTO-CQSZACIVSA-N 0 3 262.353 2.253 40 0 CEABHN COc1ccccc1CN1CC[C@@H](c2cc[nH]n2)C1 ZINC000072385092 176389606 /nfs/dbraw/zinc/38/96/06/176389606.db2.gz IIXIIHNJDARDBR-GFCCVEGCSA-N 0 3 257.337 2.408 40 0 CEABHN CN(C)Cc1c[nH]c2nccc(Br)c12 ZINC000095937248 276809940 /nfs/dbraw/zinc/80/99/40/276809940.db2.gz CWTKNCUPGRQULU-UHFFFAOYSA-N 0 3 254.131 2.387 40 0 CEABHN CN(C)C[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245481481 334196411 /nfs/dbraw/zinc/19/64/11/334196411.db2.gz CJYWUBAMFOMXNK-KBXIAJHMSA-N 0 3 264.413 2.365 40 0 CEABHN CN1CCC[C@@]2(C1)CN(Cc1ccc(F)cc1)CCO2 ZINC000096049065 185072304 /nfs/dbraw/zinc/07/23/04/185072304.db2.gz CQZBSGHCUGRSDI-MRXNPFEDSA-N 0 3 278.371 2.122 40 0 CEABHN CCN1CCOC[C@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096049597 185073026 /nfs/dbraw/zinc/07/30/26/185073026.db2.gz WVUBZOQEFIPAAZ-QGZVFWFLSA-N 0 3 289.423 2.016 40 0 CEABHN c1nc(COCC2CC2)c2n1CCCN(CC1CC1)C2 ZINC000096059028 185078864 /nfs/dbraw/zinc/07/88/64/185078864.db2.gz GDKFBLQTNBSZBM-UHFFFAOYSA-N 0 3 275.396 2.425 40 0 CEABHN c1nc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c[nH]1 ZINC000096073008 185088823 /nfs/dbraw/zinc/08/88/23/185088823.db2.gz WXTBMCINQWCSHK-OAHLLOKOSA-N 0 3 298.390 2.343 40 0 CEABHN c1ncc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)[nH]1 ZINC000096073008 185088825 /nfs/dbraw/zinc/08/88/25/185088825.db2.gz WXTBMCINQWCSHK-OAHLLOKOSA-N 0 3 298.390 2.343 40 0 CEABHN CC(C)CN1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096080580 185090685 /nfs/dbraw/zinc/09/06/85/185090685.db2.gz MILOUHMKHQMEJO-HIFRSBDPSA-N 0 3 273.380 2.491 40 0 CEABHN CCOc1ccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036100791 361829218 /nfs/dbraw/zinc/82/92/18/361829218.db2.gz KZMZFCSIRMTEJX-IOASZLSFSA-N 0 3 278.396 2.194 40 0 CEABHN CN1CCC[C@H](Cc2cnc(Br)cn2)C1 ZINC000205706495 539185162 /nfs/dbraw/zinc/18/51/62/539185162.db2.gz XGTIAASFPAIINX-SECBINFHSA-N 0 3 270.174 2.123 40 0 CEABHN Clc1ccc(Cc2nsc(N3CCNCC3)n2)cc1 ZINC000004562323 343353181 /nfs/dbraw/zinc/35/31/81/343353181.db2.gz HPJNPWUVMYTPNJ-UHFFFAOYSA-N 0 3 294.811 2.192 40 0 CEABHN Cc1nc(CN)cc(-c2ccc(Br)o2)n1 ZINC000409439765 344889579 /nfs/dbraw/zinc/88/95/79/344889579.db2.gz UHORAFJVFJCWSS-UHFFFAOYSA-N 0 3 268.114 2.266 40 0 CEABHN Cc1cc(C)nc(NCCNCc2cccs2)n1 ZINC000062717847 362721393 /nfs/dbraw/zinc/72/13/93/362721393.db2.gz DRKXGPQEHSAQRR-UHFFFAOYSA-N 0 3 262.382 2.357 40 0 CEABHN Cc1cc(N2CCNCC2)nc(-c2cccc(F)c2)n1 ZINC000070451616 363084124 /nfs/dbraw/zinc/08/41/24/363084124.db2.gz JXXOWNHJBFQNAK-UHFFFAOYSA-N 0 3 272.327 2.001 40 0 CEABHN C[C@H](c1ccc(F)cc1)N(C(=O)[C@H](C)N)C1CC1 ZINC000079421303 363598731 /nfs/dbraw/zinc/59/87/31/363598731.db2.gz IEEXXKMPAGWLBT-VHSXEESVSA-N 0 3 250.317 2.225 40 0 CEABHN CN(C)CC(CN(C)C)C(=O)c1ccc(Cl)cc1 ZINC000001576480 361209003 /nfs/dbraw/zinc/20/90/03/361209003.db2.gz MNIVXQVWNQBUSH-UHFFFAOYSA-N 0 3 268.788 2.262 40 0 CEABHN O=C(COc1ccc(Cl)cc1)O[C@@H]1CN2CCC1CC2 ZINC000001730902 361219910 /nfs/dbraw/zinc/21/99/10/361219910.db2.gz AKGAGURKPAIOPS-CQSZACIVSA-N 0 3 295.766 2.356 40 0 CEABHN CC(C)(C)OC(=O)Nc1ccc(N2CCNCC2)cc1 ZINC000008699823 361343751 /nfs/dbraw/zinc/34/37/51/361343751.db2.gz UDZIMDHNXUCYAC-UHFFFAOYSA-N 0 3 277.368 2.443 40 0 CEABHN O=C(Nc1ccccc1)N1CCN(c2ccncc2)CC1 ZINC000019141856 361521821 /nfs/dbraw/zinc/52/18/21/361521821.db2.gz CUHHVTMPOPPCEK-UHFFFAOYSA-N 0 3 282.347 2.436 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000019257476 361522483 /nfs/dbraw/zinc/52/24/83/361522483.db2.gz FRPCNYBXDUFELS-RBZYPMLTSA-N 0 3 270.323 2.074 40 0 CEABHN COC(=O)[C@H](CN)c1c[nH]c2cc(Cl)ccc21 ZINC000027762400 361658631 /nfs/dbraw/zinc/65/86/31/361658631.db2.gz QVUWSAQECIFTMS-SECBINFHSA-N 0 3 252.701 2.037 40 0 CEABHN CC(C)N(Cc1cccc(Br)c1)C(=O)CN ZINC000032130458 361731647 /nfs/dbraw/zinc/73/16/47/361731647.db2.gz SAXMJNCDDJRLQM-UHFFFAOYSA-N 0 3 285.185 2.145 40 0 CEABHN c1cnc(NCc2cncc3c2CCN(CC2CC2)C3)nc1 ZINC000096189538 364407233 /nfs/dbraw/zinc/40/72/33/364407233.db2.gz MJHYOSGPQFWXFK-UHFFFAOYSA-N 0 3 295.390 2.252 40 0 CEABHN CC[C@@H](C)N1C[C@@H]2[C@H](C1)OCCN2Cc1cccc(C)n1 ZINC000096081820 364400747 /nfs/dbraw/zinc/40/07/47/364400747.db2.gz YMFCTVLMXBBOSO-OIISXLGYSA-N 0 3 289.423 2.074 40 0 CEABHN CO[C@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200376 364410084 /nfs/dbraw/zinc/41/00/84/364410084.db2.gz NCUFDGSMLJRIFD-IRXDYDNUSA-N 0 3 285.391 2.252 40 0 CEABHN COCC[C@H]1CCOC12CCN(Cc1ccccn1)CC2 ZINC000585102597 367178021 /nfs/dbraw/zinc/17/80/21/367178021.db2.gz BSIGCIBOYNOWIZ-HNNXBMFYSA-N 0 3 290.407 2.489 40 0 CEABHN Cc1ccc(Nc2cc(N3CCNCC3)nc(C)n2)cc1 ZINC000217508435 370196197 /nfs/dbraw/zinc/19/61/97/370196197.db2.gz POKXNDLZWPEIQE-UHFFFAOYSA-N 0 3 283.379 2.247 40 0 CEABHN CCN(CC)CCNCc1cnn(C(C)C)c1C ZINC000256052153 190004035 /nfs/dbraw/zinc/00/40/35/190004035.db2.gz MCBVIKKNFAUEEP-UHFFFAOYSA-N 0 3 252.406 2.204 40 0 CEABHN Cc1cc(C)n2ncc(CN3CC[C@H](c4cc[nH]n4)C3)c2n1 ZINC000257251850 190019919 /nfs/dbraw/zinc/01/99/19/190019919.db2.gz JSNBNUQNOBRHKI-ZDUSSCGKSA-N 0 3 296.378 2.059 40 0 CEABHN CN(C)C(=O)CN1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257256364 190021279 /nfs/dbraw/zinc/02/12/79/190021279.db2.gz KLCJDKOBQAQGAY-CQSZACIVSA-N 0 3 297.402 2.187 40 0 CEABHN CNC(=O)CN1CCC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257301960 190030072 /nfs/dbraw/zinc/03/00/72/190030072.db2.gz SATMQXTYDLJWBH-CQSZACIVSA-N 0 3 297.402 2.235 40 0 CEABHN Cc1c[nH]c([C@@H]2CCN(Cc3cccc(C)n3)C2)n1 ZINC000257314831 190032423 /nfs/dbraw/zinc/03/24/23/190032423.db2.gz UYQYGLOYQGJEBG-CYBMUJFWSA-N 0 3 256.353 2.411 40 0 CEABHN c1csc([N-]c2cnc([C@@H]3CCC[NH2+]C3)cn2)n1 ZINC000257335221 190036145 /nfs/dbraw/zinc/03/61/45/190036145.db2.gz YJELNMAJGQOLNF-SECBINFHSA-N 0 3 261.354 2.144 40 0 CEABHN C[C@H]1C[C@@H](c2nc(Cc3cncs3)no2)CCN1C ZINC000333873858 380169358 /nfs/dbraw/zinc/16/93/58/380169358.db2.gz SLJAEIDRJMUJCP-UWVGGRQHSA-N 0 3 278.381 2.315 40 0 CEABHN COC[C@@H]1COCCC12CCN(Cc1ccncc1)CC2 ZINC000096106262 285305345 /nfs/dbraw/zinc/30/53/45/285305345.db2.gz GGRVZRCDXBICJA-MRXNPFEDSA-N 0 3 290.407 2.347 40 0 CEABHN Cc1cc([C@@H]2CCCCN2C)cnc1N1CCOCC1 ZINC000072219354 256707661 /nfs/dbraw/zinc/70/76/61/256707661.db2.gz PVFLDBQEPOWSBI-HNNXBMFYSA-N 0 3 275.396 2.383 40 0 CEABHN CN1C[C@@H](CO)C[C@H]2c3cccc4[nH]cc(c43)C[C@@H]21 ZINC000005525668 394458161 /nfs/dbraw/zinc/45/81/61/394458161.db2.gz UFKTZIXVYHGAES-XEGUGMAKSA-N 0 3 256.349 2.120 40 0 CEABHN CC(C)N1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216581 394593116 /nfs/dbraw/zinc/59/31/16/394593116.db2.gz URPAHDFOTZAADV-MRXNPFEDSA-N 0 3 288.439 2.379 40 0 CEABHN CC[C@H](O)c1cnc(N2CCN(C(C)C)CC2)cc1C ZINC000072223707 394594684 /nfs/dbraw/zinc/59/46/84/394594684.db2.gz JQOKNYOVQXEUGG-HNNXBMFYSA-N 0 3 277.412 2.364 40 0 CEABHN CN(C)CCn1c(=O)c2ccccc2n1-c1ccccc1 ZINC000005535390 170110165 /nfs/dbraw/zinc/11/01/65/170110165.db2.gz DTJIANJONHUZRK-UHFFFAOYSA-N 0 3 281.359 2.354 40 0 CEABHN N[C@@H](Cc1nc(-c2ccncc2)no1)c1ccccc1 ZINC000020551794 171247396 /nfs/dbraw/zinc/24/73/96/171247396.db2.gz RAEMHQPOHCSLLX-ZDUSSCGKSA-N 0 3 266.304 2.374 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000022212910 171374518 /nfs/dbraw/zinc/37/45/18/171374518.db2.gz AZNIWJXAYMFWFF-JTNHKYCSSA-N 0 3 268.788 2.449 40 0 CEABHN C[C@@H](NCCN[C@H](C)c1cccnc1)c1cccnc1 ZINC000022469030 171388874 /nfs/dbraw/zinc/38/88/74/171388874.db2.gz VJQJDYZVAVUECB-ZIAGYGMSSA-N 0 3 270.380 2.478 40 0 CEABHN Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C)C2)n1 ZINC000072359948 176376640 /nfs/dbraw/zinc/37/66/40/176376640.db2.gz OOWFHNZAELRRSJ-LBPRGKRZSA-N 0 3 284.367 2.128 40 0 CEABHN CC(C)(C)CN1CCC[C@@H]1c1cc(CCO)n[nH]1 ZINC000072361185 176377756 /nfs/dbraw/zinc/37/77/56/176377756.db2.gz TVADGCXWYNLUEV-CYBMUJFWSA-N 0 3 251.374 2.128 40 0 CEABHN COc1ccccc1CN1CC[C@H](c2cc[nH]n2)C1 ZINC000072385091 176389296 /nfs/dbraw/zinc/38/92/96/176389296.db2.gz IIXIIHNJDARDBR-LBPRGKRZSA-N 0 3 257.337 2.408 40 0 CEABHN CNc1cncc([C@@H]2CCCN2CC2CCOCC2)n1 ZINC000072386143 176390939 /nfs/dbraw/zinc/39/09/39/176390939.db2.gz KOCHMYYWFWBQEA-AWEZNQCLSA-N 0 3 276.384 2.082 40 0 CEABHN c1ccc(CCNCc2cnc(N3CCCC3)nc2)cc1 ZINC000062717794 262302902 /nfs/dbraw/zinc/30/29/02/262302902.db2.gz CVISGVQHKYGEIH-UHFFFAOYSA-N 0 3 282.391 2.409 40 0 CEABHN CNC(=O)c1sc2nc([C@@H]3CCCN3C)ccc2c1N ZINC000257328138 277262410 /nfs/dbraw/zinc/26/24/10/277262410.db2.gz XEIIAEWHJZFPKD-JTQLQIEISA-N 0 3 290.392 2.005 40 0 CEABHN Cc1ccc(CN2CCC[C@@]3(CCC(=O)N3)CC2)o1 ZINC000096047446 185073656 /nfs/dbraw/zinc/07/36/56/185073656.db2.gz AGJNDVKMEDECIK-OAHLLOKOSA-N 0 3 262.353 2.223 40 0 CEABHN O=C1N(CC2CC2)CCC12CCN(Cc1cccnc1)CC2 ZINC000096046878 185073672 /nfs/dbraw/zinc/07/36/72/185073672.db2.gz XVNSJFQRFQJFOY-UHFFFAOYSA-N 0 3 299.418 2.306 40 0 CEABHN c1csc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)c1 ZINC000096055860 185076450 /nfs/dbraw/zinc/07/64/50/185076450.db2.gz SGCLYRBCVBYYGT-NEPJUHHUSA-N 0 3 292.433 2.453 40 0 CEABHN COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1ccncc1)C2 ZINC000096089850 185094719 /nfs/dbraw/zinc/09/47/19/185094719.db2.gz HVAHXPKUFJYZSK-IAGOWNOFSA-N 0 3 290.407 2.489 40 0 CEABHN Cc1n[nH]c(C)c1-c1cnc(C2CCN(C)CC2)cn1 ZINC000585180223 345008962 /nfs/dbraw/zinc/00/89/62/345008962.db2.gz ONPDECYKKRAQKI-UHFFFAOYSA-N 0 3 271.368 2.293 40 0 CEABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)C(C)C)ccc12 ZINC000098044081 539958844 /nfs/dbraw/zinc/95/88/44/539958844.db2.gz WIGTYBCYMMYYGJ-CQSZACIVSA-N 0 3 274.320 2.023 40 0 CEABHN COP(=O)(OC)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000073410451 363216390 /nfs/dbraw/zinc/21/63/90/363216390.db2.gz JWIPRQFWGXJFFN-GFCCVEGCSA-N 0 3 268.253 2.481 40 0 CEABHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000098092031 538807625 /nfs/dbraw/zinc/80/76/25/538807625.db2.gz MLILEIUKVIPULY-PSLIRLAXSA-N 0 3 288.347 2.413 40 0 CEABHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000098092033 538808116 /nfs/dbraw/zinc/80/81/16/538808116.db2.gz MLILEIUKVIPULY-BJOHPYRUSA-N 0 3 288.347 2.413 40 0 CEABHN Cc1ccccc1CN(C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079420656 363598740 /nfs/dbraw/zinc/59/87/40/363598740.db2.gz QZSGLVPPOCHIAY-HNNXBMFYSA-N 0 3 260.381 2.469 40 0 CEABHN CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1 ZINC000081223415 363706444 /nfs/dbraw/zinc/70/64/44/363706444.db2.gz BJHHWNNCPGMSSF-ZDUSSCGKSA-N 0 3 290.363 2.144 40 0 CEABHN COc1ccc2c(c1)CCN([C@H]1CCC[C@H](O)C1)C2 ZINC000001672615 361215843 /nfs/dbraw/zinc/21/58/43/361215843.db2.gz FWTBJEAJFRCRAA-GJZGRUSLSA-N 0 3 261.365 2.357 40 0 CEABHN Clc1cccc(Cl)c1OC[C@H]1CNCCO1 ZINC000011587468 361359855 /nfs/dbraw/zinc/35/98/55/361359855.db2.gz HRMLRPDFYGVAAF-MRVPVSSYSA-N 0 3 262.136 2.361 40 0 CEABHN CN1CCC(NC(=S)Nc2ccccc2F)CC1 ZINC000013775540 361442270 /nfs/dbraw/zinc/44/22/70/361442270.db2.gz WGCXRROUSVQABO-UHFFFAOYSA-N 0 3 267.373 2.206 40 0 CEABHN OC[C@@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000019343909 361528408 /nfs/dbraw/zinc/52/84/08/361528408.db2.gz WKDVEJYTSKGIDE-LLVKDONJSA-N 0 3 277.393 2.343 40 0 CEABHN COc1cc(OC)cc([C@@H](CN)N2CCCCC2)c1 ZINC000019840934 361560412 /nfs/dbraw/zinc/56/04/12/361560412.db2.gz FXTOQZJJOJZYFO-OAHLLOKOSA-N 0 3 264.369 2.190 40 0 CEABHN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000030752491 361703146 /nfs/dbraw/zinc/70/31/46/361703146.db2.gz UPOODTYHEQNHSB-AWEZNQCLSA-N 0 3 278.396 2.057 40 0 CEABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@H]12 ZINC000096251832 364415974 /nfs/dbraw/zinc/41/59/74/364415974.db2.gz UHTREDXJIPCEJL-FUHWJXTLSA-N 0 3 299.418 2.206 40 0 CEABHN CN(C)CCNC(=O)c1ccc2sc(Cl)nc2c1 ZINC000225975069 370326163 /nfs/dbraw/zinc/32/61/63/370326163.db2.gz GQFLRAJHRIAZOL-UHFFFAOYSA-N 0 3 283.784 2.241 40 0 CEABHN CC(C)OCCCNCc1cnn(CC(F)(F)F)c1 ZINC000256054084 190004875 /nfs/dbraw/zinc/00/48/75/190004875.db2.gz UWQIRSIZJKEEBS-UHFFFAOYSA-N 0 3 279.306 2.350 40 0 CEABHN CN(C)C(=O)CN1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257256363 190021727 /nfs/dbraw/zinc/02/17/27/190021727.db2.gz KLCJDKOBQAQGAY-AWEZNQCLSA-N 0 3 297.402 2.187 40 0 CEABHN Cc1c[nH]c([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257302311 190030124 /nfs/dbraw/zinc/03/01/24/190030124.db2.gz SCLOOZZVXGRDNI-AWEZNQCLSA-N 0 3 299.374 2.479 40 0 CEABHN CNc1cc([C@H]2CCCN(Cc3c[nH]cn3)C2)ccn1 ZINC000257306601 190031032 /nfs/dbraw/zinc/03/10/32/190031032.db2.gz SUZQPSZYLGEKGB-ZDUSSCGKSA-N 0 3 271.368 2.226 40 0 CEABHN CNc1cc([C@H]2CCCN(Cc3cnc[nH]3)C2)ccn1 ZINC000257306601 190031033 /nfs/dbraw/zinc/03/10/33/190031033.db2.gz SUZQPSZYLGEKGB-ZDUSSCGKSA-N 0 3 271.368 2.226 40 0 CEABHN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN3)n2)n1 ZINC000257310945 190032052 /nfs/dbraw/zinc/03/20/52/190032052.db2.gz UHHKFBAKXNYJMS-LBPRGKRZSA-N 0 3 284.367 2.360 40 0 CEABHN CCCN1CC[C@@](C)(O)[C@@H](NC(C)=O)[C@@H]1c1ccccc1 ZINC000514289045 379130065 /nfs/dbraw/zinc/13/00/65/379130065.db2.gz FKNOUTVFSJYEMD-YESZJQIVSA-N 0 3 290.407 2.099 40 0 biogenic,in-vitro CEABHN O=c1[nH]c2c(s1)CCC[C@H]2CN1CCCCC1 ZINC000004748336 285197859 /nfs/dbraw/zinc/19/78/59/285197859.db2.gz TWJMLASFDJYHCG-JTQLQIEISA-N 0 3 252.383 2.342 40 0 CEABHN CCN1CCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219392 394594304 /nfs/dbraw/zinc/59/43/04/394594304.db2.gz UZIOCKPUEFRHDM-HNNXBMFYSA-N 0 3 275.396 2.383 40 0 CEABHN O=C1[C@@H]2CN(Cc3ccoc3)C[C@H]2CN1c1ccccc1 ZINC000247754059 394535403 /nfs/dbraw/zinc/53/54/03/394535403.db2.gz UYUUZRNEUPLYLI-GOEBONIOSA-N 0 3 282.343 2.374 40 0 CEABHN Cc1cccc2cc(CNC[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000004131502 169936626 /nfs/dbraw/zinc/93/66/26/169936626.db2.gz GCYAJNUTJNAIKT-AWEZNQCLSA-N 0 3 272.348 2.105 40 0 CEABHN CN1CCC[C@H](CNC(=S)NC2CCCCC2)C1 ZINC000009876487 170388474 /nfs/dbraw/zinc/38/84/74/170388474.db2.gz BDYLCLLFPJYFFA-GFCCVEGCSA-N 0 3 269.458 2.125 40 0 CEABHN O[C@@H]1CCCN(Cc2ccc3cc(F)ccc3n2)C1 ZINC000072397881 176395557 /nfs/dbraw/zinc/39/55/57/176395557.db2.gz NLZAFJLPHIHDAB-CQSZACIVSA-N 0 3 260.312 2.331 40 0 CEABHN Brc1ccc2nc(N3CCNCC3)ccc2c1 ZINC000002527449 275372853 /nfs/dbraw/zinc/37/28/53/275372853.db2.gz MKIHFWMBAKJYJL-UHFFFAOYSA-N 0 3 292.180 2.407 40 0 in-vivo CEABHN COc1cc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)ccc1O ZINC000001322220 295026662 /nfs/dbraw/zinc/02/66/62/295026662.db2.gz VIYIGAXHNUOMNI-WQVCFCJDSA-N 0 3 277.364 2.357 40 0 CEABHN OC[C@@H]1CCCN1Cc1ccc2cc(F)ccc2n1 ZINC000096836636 185116051 /nfs/dbraw/zinc/11/60/51/185116051.db2.gz DXORDVFADAXAKL-AWEZNQCLSA-N 0 3 260.312 2.331 40 0 CEABHN Clc1nccc(N2CC[C@@H](N3CCCCC3)C2)n1 ZINC000038579668 361986749 /nfs/dbraw/zinc/98/67/49/361986749.db2.gz GJQUCMCVPMUAFD-LLVKDONJSA-N 0 3 266.776 2.195 40 0 CEABHN CCNc1ncc(CNCCc2nc3ccccc3[nH]2)cn1 ZINC000062718437 343672775 /nfs/dbraw/zinc/67/27/75/343672775.db2.gz YHOFXRLIDCSMBA-UHFFFAOYSA-N 0 3 296.378 2.117 40 0 CEABHN COc1ccccc1-c1nnc([C@H]2CCN(C)C2)o1 ZINC000049170012 362343401 /nfs/dbraw/zinc/34/34/01/362343401.db2.gz NOJIXMROCHCFLR-JTQLQIEISA-N 0 3 259.309 2.164 40 0 biogenic,in-vitro CEABHN CC(C)(C)OC(=O)N[C@H]1CCN(CC2CCC2)C1 ZINC000067800921 362925869 /nfs/dbraw/zinc/92/58/69/362925869.db2.gz JAEIGTZUFFYNQO-LBPRGKRZSA-N 0 3 254.374 2.386 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000108350256 186213350 /nfs/dbraw/zinc/21/33/50/186213350.db2.gz AOEFDDJIKRFNLE-GPCCPHFNSA-N 0 3 270.323 2.074 40 0 CEABHN CC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000074713387 363375078 /nfs/dbraw/zinc/37/50/78/363375078.db2.gz ZKCBSWZUZZMTEI-UHFFFAOYSA-N 0 3 260.337 2.170 40 0 CEABHN O=C(NCCNCc1ccccc1)c1ccccc1 ZINC000001729973 361219874 /nfs/dbraw/zinc/21/98/74/361219874.db2.gz VWIXTNKDGGAXQH-UHFFFAOYSA-N 0 3 254.333 2.206 40 0 CEABHN CCC(=O)c1ccc(OC[C@@H](O)CN(CC)CC)cc1 ZINC000002705558 361245200 /nfs/dbraw/zinc/24/52/00/361245200.db2.gz SKIYQBAKEVTMIE-AWEZNQCLSA-N 0 3 279.380 2.361 40 0 CEABHN Cc1c(CN2CC[C@H](CO)C2)cnn1Cc1ccccc1 ZINC000019554516 361543547 /nfs/dbraw/zinc/54/35/47/361543547.db2.gz OSMQXVRCEJBKQR-INIZCTEOSA-N 0 3 285.391 2.054 40 0 CEABHN Cc1cc(C)n(-c2cccc(CN3CCC(O)CC3)c2)n1 ZINC000019574840 361544229 /nfs/dbraw/zinc/54/42/29/361544229.db2.gz LAVFVLXQNJDZHQ-UHFFFAOYSA-N 0 3 285.391 2.446 40 0 CEABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccccc1F ZINC000019796137 361554374 /nfs/dbraw/zinc/55/43/74/361554374.db2.gz QOOKUBPKAQBBLF-LLVKDONJSA-N 0 3 254.305 2.350 40 0 CEABHN O[C@@H](CNCc1ccccc1)COc1ccc(F)cc1 ZINC000032121579 361730072 /nfs/dbraw/zinc/73/00/72/361730072.db2.gz FHGGAYJIILRRNP-HNNXBMFYSA-N 0 3 275.323 2.355 40 0 CEABHN O=C1N(c2cccnc2)CC12CCN(Cc1ccco1)CC2 ZINC000096202946 364410408 /nfs/dbraw/zinc/41/04/08/364410408.db2.gz PHTFJAQGQBULNY-UHFFFAOYSA-N 0 3 297.358 2.304 40 0 CEABHN c1ccc(-c2cc(N3CCNCC3)nc(C3CC3)n2)cc1 ZINC000096516923 364424995 /nfs/dbraw/zinc/42/49/95/364424995.db2.gz BWKOSUGYRWBGBK-UHFFFAOYSA-N 0 3 280.375 2.431 40 0 CEABHN CCn1c2ncccc2nc1[C@H](N)CCSC ZINC000111348797 364729383 /nfs/dbraw/zinc/72/93/83/364729383.db2.gz QISXGYYDQAANPY-SECBINFHSA-N 0 3 250.371 2.204 40 0 CEABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000248121705 371161736 /nfs/dbraw/zinc/16/17/36/371161736.db2.gz KHUQSPQHMNEIHO-AEFFLSMTSA-N 0 3 284.403 2.271 40 0 CEABHN Cc1cccc(N2CCO[C@H](CCc3ccnc(N)c3)C2)n1 ZINC000257279964 371611090 /nfs/dbraw/zinc/61/10/90/371611090.db2.gz OIXLGPKXHWCVRD-OAHLLOKOSA-N 0 3 298.390 2.205 40 0 CEABHN CCCn1cc(CN2CCNC[C@@H]2c2ccccc2)cn1 ZINC000257203535 190011512 /nfs/dbraw/zinc/01/15/12/190011512.db2.gz AQMMZZGBANNVNY-QGZVFWFLSA-N 0 3 284.407 2.440 40 0 CEABHN CCn1nccc1-c1cc(C)nc([C@H]2CCCN2)n1 ZINC000257244743 190019315 /nfs/dbraw/zinc/01/93/15/190019315.db2.gz IMPKSXOUYGGGHJ-LLVKDONJSA-N 0 3 257.341 2.093 40 0 CEABHN O=C(CN1CCC[C@@H]1CCc1ccncc1)N1CCCC1 ZINC000257272072 190023878 /nfs/dbraw/zinc/02/38/78/190023878.db2.gz NAYZAAWLXWNNJE-MRXNPFEDSA-N 0 3 287.407 2.101 40 0 CEABHN CCN1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216153 394592704 /nfs/dbraw/zinc/59/27/04/394592704.db2.gz AGEWXVOSXOUIDE-CQSZACIVSA-N 0 3 261.369 2.075 40 0 CEABHN Fc1cccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)c1 ZINC000096530158 394697914 /nfs/dbraw/zinc/69/79/14/394697914.db2.gz AFXNEQDSMGCXHQ-CYBMUJFWSA-N 0 3 283.310 2.355 40 0 CEABHN CC(C)Oc1ccc(NC(=S)NCCN(C)C)cc1 ZINC000044194962 175153069 /nfs/dbraw/zinc/15/30/69/175153069.db2.gz FYLSUXVBXVRFSJ-UHFFFAOYSA-N 0 3 281.425 2.322 40 0 CEABHN CCN1CCc2nc(NCc3ccco3)ncc2C1 ZINC000072415047 176399502 /nfs/dbraw/zinc/39/95/02/176399502.db2.gz ZKQNCPCTZPMNHR-UHFFFAOYSA-N 0 3 258.325 2.060 40 0 CEABHN CCCN1CCC2(CC1)Nc1ccccc1N(C)C2=O ZINC000306124691 276005154 /nfs/dbraw/zinc/00/51/54/276005154.db2.gz BWSVOTIWXHIDIY-UHFFFAOYSA-N 0 3 273.380 2.320 40 0 CEABHN COc1ccc([C@H](N)c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095533877 185007545 /nfs/dbraw/zinc/00/75/45/185007545.db2.gz OYKUNAUZWAWOJI-LBPRGKRZSA-N 0 3 290.367 2.168 40 0 CEABHN COc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OC ZINC000095533877 185007546 /nfs/dbraw/zinc/00/75/46/185007546.db2.gz OYKUNAUZWAWOJI-LBPRGKRZSA-N 0 3 290.367 2.168 40 0 CEABHN CCN1CCC2(CCN(Cc3ccc(C)o3)CC2)C1=O ZINC000096046739 185072003 /nfs/dbraw/zinc/07/20/03/185072003.db2.gz VALOCFUEWHZEFP-UHFFFAOYSA-N 0 3 276.380 2.422 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096056710 185077342 /nfs/dbraw/zinc/07/73/42/185077342.db2.gz MSHWUFSCDKMXQC-HUUCEWRRSA-N 0 3 265.353 2.297 40 0 CEABHN O[C@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1ccncc1 ZINC000096061650 185082193 /nfs/dbraw/zinc/08/21/93/185082193.db2.gz UHQXDVKDSNLODR-IRXDYDNUSA-N 0 3 286.350 2.399 40 0 CEABHN NCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000037817582 361949247 /nfs/dbraw/zinc/94/92/47/361949247.db2.gz DNWJBQMLPPXOBC-UHFFFAOYSA-N 0 3 273.163 2.443 40 0 CEABHN N=C1NC[C@H]2c3ccccc3C(=O)c3ccccc3N12 ZINC000044699761 362154656 /nfs/dbraw/zinc/15/46/56/362154656.db2.gz ZLEUIRBHHWJTHP-AWEZNQCLSA-N 0 3 263.300 2.107 40 0 in-vitro CEABHN CNc1ncc(CNCCCc2nc3ccccc3[nH]2)cn1 ZINC000062718694 343672648 /nfs/dbraw/zinc/67/26/48/343672648.db2.gz CFJNVMVCHMIOCX-UHFFFAOYSA-N 0 3 296.378 2.117 40 0 CEABHN COCC[C@@H]1CCOC12CCN(Cc1cccnc1)CC2 ZINC000585104066 345005636 /nfs/dbraw/zinc/00/56/36/345005636.db2.gz FVQVTLHQUJKLTR-MRXNPFEDSA-N 0 3 290.407 2.489 40 0 CEABHN COc1cccc(CCCNC(=O)C2CCN(C)CC2)c1 ZINC000073306975 363209874 /nfs/dbraw/zinc/20/98/74/363209874.db2.gz VZPVOIDGIFUURA-UHFFFAOYSA-N 0 3 290.407 2.086 40 0 CEABHN NCC(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420864 363598772 /nfs/dbraw/zinc/59/87/72/363598772.db2.gz JNUHAPQJHLNTSE-UHFFFAOYSA-N 0 3 273.163 2.443 40 0 CEABHN C[C@H](N)C(=O)N(Cc1nccc2ccccc21)C1CC1 ZINC000079422206 363599256 /nfs/dbraw/zinc/59/92/56/363599256.db2.gz WKCCOWDAAHBWNM-NSHDSACASA-N 0 3 269.348 2.073 40 0 CEABHN CCN(Cc1cc(Cl)ccc1Cl)C(=O)CN ZINC000079420223 363599415 /nfs/dbraw/zinc/59/94/15/363599415.db2.gz AYRILFUOUFAKQD-UHFFFAOYSA-N 0 3 261.152 2.301 40 0 CEABHN COc1cc(C(=O)NC2CCN(C)CC2)nc2ccccc21 ZINC000000108644 361128706 /nfs/dbraw/zinc/12/87/06/361128706.db2.gz GNJACEGZLYJZMR-UHFFFAOYSA-N 0 3 299.374 2.067 40 0 CEABHN Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000019285267 361526651 /nfs/dbraw/zinc/52/66/51/361526651.db2.gz GSLXRSXVXKOFMX-AWEZNQCLSA-N 0 3 269.348 2.068 40 0 CEABHN Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000019285267 361526654 /nfs/dbraw/zinc/52/66/54/361526654.db2.gz GSLXRSXVXKOFMX-AWEZNQCLSA-N 0 3 269.348 2.068 40 0 CEABHN CN1CCC[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096215249 364413255 /nfs/dbraw/zinc/41/32/55/364413255.db2.gz YHDWRDSACVMGEU-HNNXBMFYSA-N 0 3 278.421 2.235 40 0 CEABHN CC(=O)N1CCC[C@]2(CN(CC3CCCCC3)CCO2)C1 ZINC000096268744 364419854 /nfs/dbraw/zinc/41/98/54/364419854.db2.gz KOZMBNCTBCNIER-KRWDZBQOSA-N 0 3 294.439 2.280 40 0 CEABHN CCn1nccc1CNCCc1cccc(OC)c1 ZINC000160011701 366965977 /nfs/dbraw/zinc/96/59/77/366965977.db2.gz MGTPNDWOCCEHEM-UHFFFAOYSA-N 0 3 259.353 2.244 40 0 CEABHN Brc1ccc2c(c1)CCC1(CNC1)O2 ZINC000409430248 375524264 /nfs/dbraw/zinc/52/42/64/375524264.db2.gz GCTIRWLCMBMDNW-UHFFFAOYSA-N 0 3 254.127 2.116 40 0 CEABHN CCCn1nccc1-c1cnc(C[C@@H]2CCN(C)C2)cn1 ZINC000257221303 190014572 /nfs/dbraw/zinc/01/45/72/190014572.db2.gz DOJMZVLOJYEMNL-ZDUSSCGKSA-N 0 3 285.395 2.244 40 0 CEABHN CNc1ncccc1CN1CCC[C@](C)(c2cc[nH]n2)C1 ZINC000257238681 190017880 /nfs/dbraw/zinc/01/78/80/190017880.db2.gz HMBGDUWHBFKQBM-INIZCTEOSA-N 0 3 285.395 2.400 40 0 CEABHN CNC(=O)CN1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257243910 190018496 /nfs/dbraw/zinc/01/84/96/190018496.db2.gz IJBLKEWCVYDNNA-AWEZNQCLSA-N 0 3 297.402 2.235 40 0 CEABHN Cn1cc(CN2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)cn1 ZINC000257252047 190020321 /nfs/dbraw/zinc/02/03/21/190020321.db2.gz JTIWFHDHVQJXSX-HYVNUMGLSA-N 0 3 298.390 2.105 40 0 CEABHN CN1CCC(c2cccc(NCC3(C)COC3)n2)CC1 ZINC000257259473 190021477 /nfs/dbraw/zinc/02/14/77/190021477.db2.gz KYNWZDQEUQTVAV-UHFFFAOYSA-N 0 3 275.396 2.339 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3cnn(C)c3C)C2)c1 ZINC000257256952 190021943 /nfs/dbraw/zinc/02/19/43/190021943.db2.gz KNNCHKCZQXOZGN-CQSZACIVSA-N 0 3 299.422 2.463 40 0 CEABHN CNc1nccnc1C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000257274537 190024596 /nfs/dbraw/zinc/02/45/96/190024596.db2.gz NLMJIQNKBMDFAG-HNNXBMFYSA-N 0 3 297.406 2.368 40 0 CEABHN CN1CCC[C@H](c2cncc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257307187 190031559 /nfs/dbraw/zinc/03/15/59/190031559.db2.gz SXOIDNAWVLXMKJ-AWEZNQCLSA-N 0 3 296.374 2.052 40 0 CEABHN COc1ccccc1CN1CC[C@H](OC)[C@]2(CCCO2)C1 ZINC000257314843 190032900 /nfs/dbraw/zinc/03/29/00/190032900.db2.gz UYSUSARHPNKGEL-IRXDYDNUSA-N 0 3 291.391 2.465 40 0 CEABHN CN(C)C(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000306136592 376540704 /nfs/dbraw/zinc/54/07/04/376540704.db2.gz PXSZZMGCICPJRP-NVXWUHKLSA-N 0 3 287.407 2.016 40 0 CEABHN CC(C)(N)C(=O)Nc1ccc(Br)cc1 ZINC000005000429 394456569 /nfs/dbraw/zinc/45/65/69/394456569.db2.gz MVYCEYDMKPLAMC-UHFFFAOYSA-N 0 3 257.131 2.125 40 0 CEABHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1O ZINC000005339256 394457661 /nfs/dbraw/zinc/45/76/61/394457661.db2.gz LYDWUTUOAGCHNM-UGFHNGPFSA-N 0 3 291.391 2.394 40 0 CEABHN CCN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216599 394593593 /nfs/dbraw/zinc/59/35/93/394593593.db2.gz HNVBLAOTGGDUMO-INIZCTEOSA-N 0 3 288.439 2.380 40 0 CEABHN CC(=O)Oc1ccc2occ(C(=O)CCN(C)C)c2c1 ZINC000005292008 170083721 /nfs/dbraw/zinc/08/37/21/170083721.db2.gz GBMFUOJPDAIZDH-UHFFFAOYSA-N 0 3 275.304 2.493 40 0 CEABHN C/C=C/[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000005566353 170114229 /nfs/dbraw/zinc/11/42/29/170114229.db2.gz KFIKGORTYFCONO-QLYQFNSRSA-N 0 3 293.407 2.121 40 0 CEABHN C/C=C\[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000005954608 170162169 /nfs/dbraw/zinc/16/21/69/170162169.db2.gz KFIKGORTYFCONO-UHFUNJJMSA-N 0 3 293.407 2.121 40 0 CEABHN CN(CCN1CCCCC1)C(=O)c1cc2c([nH]1)CCCC2 ZINC000019657603 170833665 /nfs/dbraw/zinc/83/36/65/170833665.db2.gz OEYYPOFJJOQTIT-UHFFFAOYSA-N 0 3 289.423 2.451 40 0 CEABHN COc1ccc([C@@H](CN)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215176 171375575 /nfs/dbraw/zinc/37/55/75/171375575.db2.gz SBZBRJHTMRUIII-IUODEOHRSA-N 0 3 278.396 2.436 40 0 CEABHN Cc1ccc([C@@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000037179893 173012637 /nfs/dbraw/zinc/01/26/37/173012637.db2.gz CMKDMFWNQQCGKG-IIAWOOMASA-N 0 3 262.397 2.412 40 0 CEABHN CCOC(=O)C[C@H](c1ccc(OC)cc1)N(C)C ZINC000072210291 176342672 /nfs/dbraw/zinc/34/26/72/176342672.db2.gz DREMLXMADRUZDQ-CYBMUJFWSA-N 0 3 251.326 2.251 40 0 CEABHN Cc1nc([C@@H]2CCCN(C(C)C)C2)ncc1C(=O)N(C)C ZINC000072352004 176374588 /nfs/dbraw/zinc/37/45/88/176374588.db2.gz HMGITVOGNNLUPS-CYBMUJFWSA-N 0 3 290.411 2.075 40 0 CEABHN Cc1cccnc1-n1cccc1CN1CCC[C@@H](CO)C1 ZINC000072397857 176395699 /nfs/dbraw/zinc/39/56/99/176395699.db2.gz LJZSYCIDBKWIJK-OAHLLOKOSA-N 0 3 285.391 2.385 40 0 CEABHN CN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000047837409 277030557 /nfs/dbraw/zinc/03/05/57/277030557.db2.gz SMVFAKWTCCYROH-UHFFFAOYSA-N 0 3 272.392 2.389 40 0 CEABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 ZINC000096056810 185077401 /nfs/dbraw/zinc/07/74/01/185077401.db2.gz QGEMVTUHWNOLFE-DLBZAZTESA-N 0 3 290.407 2.489 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000037799085 361942259 /nfs/dbraw/zinc/94/22/59/361942259.db2.gz ZKFBLLXOPUGHAJ-LBPRGKRZSA-N 0 3 254.761 2.282 40 0 CEABHN C[C@@H](CNCc1ccncc1)C(=O)OC(C)(C)C ZINC000047219066 362201986 /nfs/dbraw/zinc/20/19/86/362201986.db2.gz ZONNEQCMMBVWDY-NSHDSACASA-N 0 3 250.342 2.149 40 0 CEABHN CN1CCC(NC(=O)CSCc2ccccc2F)CC1 ZINC000222714497 530050160 /nfs/dbraw/zinc/05/01/60/530050160.db2.gz MLSHPKZZLBIDFT-UHFFFAOYSA-N 0 3 296.411 2.269 40 0 CEABHN NC[C@H](c1ccc(N2CCCCC2)o1)N1CCCC1 ZINC000409442469 344890057 /nfs/dbraw/zinc/89/00/57/344890057.db2.gz VLSKVHBYOFTMND-CYBMUJFWSA-N 0 3 263.385 2.366 40 0 CEABHN N[C@@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 ZINC000062211077 362714276 /nfs/dbraw/zinc/71/42/76/362714276.db2.gz DEVQHIRVQKIZIX-UKRRQHHQSA-N 0 3 259.353 2.015 40 0 CEABHN CN1CCC(NC(=S)Nc2ccc(F)c(F)c2)CC1 ZINC000063142661 362752150 /nfs/dbraw/zinc/75/21/50/362752150.db2.gz VPAWDGAVVPPRAI-UHFFFAOYSA-N 0 3 285.363 2.345 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)nc1)C(C)C ZINC000079421681 363599369 /nfs/dbraw/zinc/59/93/69/363599369.db2.gz YRGBYEXCKWGZDG-ZDUSSCGKSA-N 0 3 283.803 2.455 40 0 CEABHN COc1ccc([C@@H](N)[C@@H](O)c2ccc(OC)cc2)cc1 ZINC000001666004 361215315 /nfs/dbraw/zinc/21/53/15/361215315.db2.gz DUEBHXGFCXXGHK-CVEARBPZSA-N 0 3 273.332 2.437 40 0 in-vitro CEABHN CCn1cc(CNCCc2ccc(OC)c(OC)c2)cn1 ZINC000002536450 361239175 /nfs/dbraw/zinc/23/91/75/361239175.db2.gz LWKKCDKPIYPZHQ-UHFFFAOYSA-N 0 3 289.379 2.253 40 0 CEABHN Cc1cc(C)cc(CSCC(=O)NCCN(C)C)c1 ZINC000013613212 361434688 /nfs/dbraw/zinc/43/46/88/361434688.db2.gz VCVRHFNNJRVPFV-UHFFFAOYSA-N 0 3 280.437 2.214 40 0 CEABHN Cc1cc(C[N@@H+]2CCc3nc(C)[n-]c(=O)c3CC2)cs1 ZINC000019572072 361542871 /nfs/dbraw/zinc/54/28/71/361542871.db2.gz PFJOVWCRYLTUBS-UHFFFAOYSA-N 0 3 289.404 2.049 40 0 CEABHN Cc1cc(C[N@H+]2CCc3nc(C)[n-]c(=O)c3CC2)cs1 ZINC000019572072 361542873 /nfs/dbraw/zinc/54/28/73/361542873.db2.gz PFJOVWCRYLTUBS-UHFFFAOYSA-N 0 3 289.404 2.049 40 0 CEABHN CN1[C@@H]2CC[C@H]1CC(O)(c1ccc(Cl)nc1)C2 ZINC000027640677 361655860 /nfs/dbraw/zinc/65/58/60/361655860.db2.gz FXMMVMRYFLUIGL-QYJAPNMZSA-N 0 3 252.745 2.179 40 0 CEABHN c1cc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cs1 ZINC000096053986 364400515 /nfs/dbraw/zinc/40/05/15/364400515.db2.gz NODGTYBVIOHWOS-ZIAGYGMSSA-N 0 3 286.404 2.106 40 0 CEABHN Cc1nc(CN2CCC3(CN(CC4CC4)C3)C2)cs1 ZINC000096202516 364411513 /nfs/dbraw/zinc/41/15/13/364411513.db2.gz MXTFSBWIOXKOEW-UHFFFAOYSA-N 0 3 277.437 2.369 40 0 CEABHN COc1ccc(CCCNC(=O)C2CCN(C)CC2)cc1 ZINC000174731531 368061270 /nfs/dbraw/zinc/06/12/70/368061270.db2.gz HOVNDLYWTXVRIG-UHFFFAOYSA-N 0 3 290.407 2.086 40 0 CEABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2ccnn2C(C)C)C1 ZINC000257210309 190012487 /nfs/dbraw/zinc/01/24/87/190012487.db2.gz BUBHZMNNGCLVKF-CYBMUJFWSA-N 0 3 273.384 2.485 40 0 CEABHN Cc1ncoc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257220895 190014766 /nfs/dbraw/zinc/01/47/66/190014766.db2.gz DMRFOBKAPUKTGI-WFASDCNBSA-N 0 3 277.368 2.072 40 0 CEABHN CCn1nccc1-c1cnc([C@H]2CCCN2C)cn1 ZINC000257224548 190015173 /nfs/dbraw/zinc/01/51/73/190015173.db2.gz FCGINBSAMSOYLW-CYBMUJFWSA-N 0 3 257.341 2.127 40 0 CEABHN CNC(=O)CN1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000257243911 190018285 /nfs/dbraw/zinc/01/82/85/190018285.db2.gz IJBLKEWCVYDNNA-CQSZACIVSA-N 0 3 297.402 2.235 40 0 CEABHN O=C(CN1CCC[C@H]1CCc1ccncc1)N1CCCC1 ZINC000257272071 190023784 /nfs/dbraw/zinc/02/37/84/190023784.db2.gz NAYZAAWLXWNNJE-INIZCTEOSA-N 0 3 287.407 2.101 40 0 CEABHN Cc1c[nH]c([C@H]2CCCN(Cc3[nH]cnc3C)C2)n1 ZINC000257283066 190026527 /nfs/dbraw/zinc/02/65/27/190026527.db2.gz OWQFAIRSPFEVBH-LBPRGKRZSA-N 0 3 259.357 2.129 40 0 CEABHN O[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccccc1 ZINC000096200006 256820008 /nfs/dbraw/zinc/82/00/08/256820008.db2.gz WQFUXMMDJKIKSU-DLBZAZTESA-N 0 3 268.360 2.260 40 0 CEABHN CCOC(=O)[C@H](CN)[C@](C)(CC)Nc1ccccc1 ZINC000072210422 394592359 /nfs/dbraw/zinc/59/23/59/394592359.db2.gz CSLWMWGDLMDQTK-ZFWWWQNUSA-N 0 3 264.369 2.405 40 0 CEABHN N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1=O ZINC000255190361 394579698 /nfs/dbraw/zinc/57/96/98/394579698.db2.gz WTSGVPRAOMQIAR-SNVBAGLBSA-N 0 3 259.136 2.053 40 0 CEABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000257327490 286379077 /nfs/dbraw/zinc/37/90/77/286379077.db2.gz XBNXWXMTEAOEET-BRWVUGGUSA-N 0 3 288.391 2.104 40 0 CEABHN C/C=C\[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000005954609 170162062 /nfs/dbraw/zinc/16/20/62/170162062.db2.gz KFIKGORTYFCONO-HXMLOBCXSA-N 0 3 293.407 2.121 40 0 CEABHN CC[C@@H](Oc1ccccc1Cl)C(=O)NCCN(C)C ZINC000022519739 171389718 /nfs/dbraw/zinc/38/97/18/171389718.db2.gz QGSIUIJJGGGSAC-GFCCVEGCSA-N 0 3 284.787 2.175 40 0 CEABHN CCN(CC)[C@H](CN)c1cccc(OC)c1OC ZINC000038827649 174156931 /nfs/dbraw/zinc/15/69/31/174156931.db2.gz LAZWVOJYBIMUMK-GFCCVEGCSA-N 0 3 252.358 2.045 40 0 CEABHN Cc1ccnc(NC(=O)c2cc([C@@H]3CCCN3)nc(C)n2)c1 ZINC000072365653 176380983 /nfs/dbraw/zinc/38/09/83/176380983.db2.gz RJDNRHOMFSYCNR-LBPRGKRZSA-N 0 3 297.362 2.165 40 0 CEABHN c1ccc(N2CCC[C@@]3(CCN([C@H]4CCOC4)C3)C2)nc1 ZINC000253596880 275067686 /nfs/dbraw/zinc/06/76/86/275067686.db2.gz XHXQCHGEJUTSKP-RDJZCZTQSA-N 0 3 287.407 2.163 40 0 CEABHN CN1CCN(C2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257268220 277103979 /nfs/dbraw/zinc/10/39/79/277103979.db2.gz MKSPTYXCZQVDMR-MRXNPFEDSA-N 0 3 260.381 2.154 40 0 CEABHN NC(=O)c1cccc([C@H]2CCCN2C2CCCC2)n1 ZINC000257333332 295189302 /nfs/dbraw/zinc/18/93/02/295189302.db2.gz YBCYZOPJQIADGX-CQSZACIVSA-N 0 3 259.353 2.260 40 0 CEABHN COC(=O)[C@H](CN)c1c[nH]c2ccc(Cl)cc21 ZINC000027852062 333207741 /nfs/dbraw/zinc/20/77/41/333207741.db2.gz HWVJWLYZXNIOBW-SECBINFHSA-N 0 3 252.701 2.037 40 0 CEABHN COc1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000013775541 534181319 /nfs/dbraw/zinc/18/13/19/534181319.db2.gz OCXBSAROVDDHOW-UHFFFAOYSA-N 0 3 279.409 2.076 40 0 CEABHN COc1ccc([C@@H](N)c2nc(C(C)(C)C)n[nH]2)cc1 ZINC000095533734 185007602 /nfs/dbraw/zinc/00/76/02/185007602.db2.gz DUCWNSLQBGTMGI-LLVKDONJSA-N 0 3 260.341 2.159 40 0 CEABHN COc1ccc([C@@H](N)c2nnc(C(C)(C)C)[nH]2)cc1 ZINC000095533734 185007603 /nfs/dbraw/zinc/00/76/03/185007603.db2.gz DUCWNSLQBGTMGI-LLVKDONJSA-N 0 3 260.341 2.159 40 0 CEABHN COc1ccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)cc1 ZINC000095533734 185007604 /nfs/dbraw/zinc/00/76/04/185007604.db2.gz DUCWNSLQBGTMGI-LLVKDONJSA-N 0 3 260.341 2.159 40 0 CEABHN CC(C)N(C)Cc1cnc2n1CCN(Cc1cccnc1)C2 ZINC000096061778 185083044 /nfs/dbraw/zinc/08/30/44/185083044.db2.gz AQRQVDIXQMBOAT-UHFFFAOYSA-N 0 3 299.422 2.134 40 0 CEABHN Cc1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2ccccn2)nn1 ZINC000096064062 185083748 /nfs/dbraw/zinc/08/37/48/185083748.db2.gz GCYODMMXAMATDJ-HOTGVXAUSA-N 0 3 295.390 2.033 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1scnc1C)C2 ZINC000096065000 185084255 /nfs/dbraw/zinc/08/42/55/185084255.db2.gz MPWGFTVATGFOKA-HUUCEWRRSA-N 0 3 296.436 2.469 40 0 CEABHN CCOc1ccccc1[C@@H](CN)N1C[C@@H](C)O[C@H](C)C1 ZINC000036100782 361827479 /nfs/dbraw/zinc/82/74/79/361827479.db2.gz KUHBBCHKJVKJPO-UMVBOHGHSA-N 0 3 278.396 2.194 40 0 CEABHN Cc1ccc(CN(C(=O)[C@@H](N)C(C)C)C2CC2)cc1 ZINC000037809011 361948451 /nfs/dbraw/zinc/94/84/51/361948451.db2.gz UVAPSFMVSQCWIL-HNNXBMFYSA-N 0 3 260.381 2.469 40 0 CEABHN COCC[C@H]1CCOC12CCN(Cc1cccnc1)CC2 ZINC000585104065 345005601 /nfs/dbraw/zinc/00/56/01/345005601.db2.gz FVQVTLHQUJKLTR-INIZCTEOSA-N 0 3 290.407 2.489 40 0 CEABHN Cc1n[nH]c(C)c1CN1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278792 345009942 /nfs/dbraw/zinc/00/99/42/345009942.db2.gz GHKMUWRCSTYQFK-SJLPKXTDSA-N 0 3 299.418 2.452 40 0 CEABHN CCNc1ncc(CNCCc2ccc(OC)cc2)cn1 ZINC000062717544 362721101 /nfs/dbraw/zinc/72/11/01/362721101.db2.gz OINAAJPCKIYMER-UHFFFAOYSA-N 0 3 286.379 2.249 40 0 CEABHN O=C1[C@@H]2CN(Cc3ccco3)C[C@@H]2CN1c1ccccc1 ZINC000107742831 186189197 /nfs/dbraw/zinc/18/91/97/186189197.db2.gz BGDQONXEAPMOTO-CZUORRHYSA-N 0 3 282.343 2.374 40 0 CEABHN O=C1CCC2(CCN(Cc3ccsc3)CC2)CN1 ZINC000108530932 186221708 /nfs/dbraw/zinc/22/17/08/186221708.db2.gz PGXVZIJZTAFBAE-UHFFFAOYSA-N 0 3 264.394 2.240 40 0 CEABHN C[C@H](NC(=O)C1CCN(C)CC1)c1ccc(F)cc1 ZINC000072799893 363166089 /nfs/dbraw/zinc/16/60/89/363166089.db2.gz DRMKBFNYKSICJK-NSHDSACASA-N 0 3 264.344 2.345 40 0 CEABHN O=C([O-])CN1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416236 363598422 /nfs/dbraw/zinc/59/84/22/363598422.db2.gz ZBXQQJHMZLWEKY-OAHLLOKOSA-N 0 3 288.391 2.058 40 0 CEABHN O=C([O-])CN1CC[C@@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416236 363598427 /nfs/dbraw/zinc/59/84/27/363598427.db2.gz ZBXQQJHMZLWEKY-OAHLLOKOSA-N 0 3 288.391 2.058 40 0 CEABHN NCC(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000079420240 363598447 /nfs/dbraw/zinc/59/84/47/363598447.db2.gz CZEWNKFXIWUCJC-UHFFFAOYSA-N 0 3 273.163 2.443 40 0 CEABHN O=C(CSC1=NCCN1)c1ccc(Cl)cc1 ZINC000000374911 361167430 /nfs/dbraw/zinc/16/74/30/361167430.db2.gz VOGONKKGJKGMBS-UHFFFAOYSA-N 0 3 254.742 2.215 40 0 CEABHN CCn1nc2nc(N3CCNCC3)cc(C(F)F)c2c1C ZINC000012398890 361383137 /nfs/dbraw/zinc/38/31/37/361383137.db2.gz PWLKHXNYZLWMEE-UHFFFAOYSA-N 0 3 295.337 2.107 40 0 CEABHN COC(=O)[C@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000029483542 361685251 /nfs/dbraw/zinc/68/52/51/361685251.db2.gz OSKZYLPFYNARRX-NJZAAPMLSA-N 0 3 284.359 2.301 40 0 CEABHN Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCN(C)C)c1 ZINC000030752487 361702725 /nfs/dbraw/zinc/70/27/25/361702725.db2.gz UPOODTYHEQNHSB-CQSZACIVSA-N 0 3 278.396 2.057 40 0 CEABHN CN(Cc1ccco1)[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096185988 364407411 /nfs/dbraw/zinc/40/74/11/364407411.db2.gz QWTOXKXZQXKRJH-ZACQAIPSSA-N 0 3 290.407 2.353 40 0 CEABHN c1ccc(CN2C[C@@H]3CN(c4cccnc4)CC[C@@H]3C2)nc1 ZINC000096081459 364399254 /nfs/dbraw/zinc/39/92/54/364399254.db2.gz OEFKMRUZQSFEIH-HZPDHXFCSA-N 0 3 294.402 2.435 40 0 CEABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2C1CCC1)C1CC1 ZINC000096065782 364399819 /nfs/dbraw/zinc/39/98/19/364399819.db2.gz JBYROLVYWAISFN-RRFJBIMHSA-N 0 3 251.370 2.197 40 0 CEABHN COc1ccc(CN2C[C@H](OC)[C@H]3OCCC[C@H]32)cc1 ZINC000096057409 364400661 /nfs/dbraw/zinc/40/06/61/364400661.db2.gz WZEPJAZABBYNLP-PMPSAXMXSA-N 0 3 277.364 2.073 40 0 CEABHN COc1ccc(CN2CCC3(CCCC(=O)N3)CC2)cc1 ZINC000096158567 364402993 /nfs/dbraw/zinc/40/29/93/364402993.db2.gz PIEKAZXANDMLFC-UHFFFAOYSA-N 0 3 288.391 2.330 40 0 CEABHN O=C1CCCC2(CCN(Cc3ccsc3)CC2)N1 ZINC000096158561 364403336 /nfs/dbraw/zinc/40/33/36/364403336.db2.gz HXDCWBXUNKKOTA-UHFFFAOYSA-N 0 3 264.394 2.383 40 0 CEABHN c1ncn2c1CN(CC1CC1)C[C@@H](COc1cccnc1)C2 ZINC000096209343 364412916 /nfs/dbraw/zinc/41/29/16/364412916.db2.gz ZOWFYNIPKFWMFH-OAHLLOKOSA-N 0 3 298.390 2.199 40 0 CEABHN CN1CCCC[C@]12CCCN(C(=O)c1cccnc1)C2 ZINC000096217572 364413236 /nfs/dbraw/zinc/41/32/36/364413236.db2.gz NMTDSXGPBCBHBM-MRXNPFEDSA-N 0 3 273.380 2.172 40 0 CEABHN Cc1nc(C)c2c(n1)CCN(Cc1ccco1)CC2 ZINC000096254508 364418047 /nfs/dbraw/zinc/41/80/47/364418047.db2.gz JOSAGRRBRNCWFB-UHFFFAOYSA-N 0 3 257.337 2.287 40 0 CEABHN Cc1ncnc2c1CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096254955 364418189 /nfs/dbraw/zinc/41/81/89/364418189.db2.gz QBZYIMXAJNBSEX-UHFFFAOYSA-N 0 3 297.358 2.115 40 0 CEABHN CC(=O)N1CCC[C@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096268728 364419776 /nfs/dbraw/zinc/41/97/76/364419776.db2.gz MMIILQJHOYMBLC-OAHLLOKOSA-N 0 3 262.353 2.114 40 0 CEABHN COc1cccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000096268566 364420005 /nfs/dbraw/zinc/42/00/05/364420005.db2.gz PDEJUARFCIHTIZ-KRWDZBQOSA-N 0 3 288.391 2.253 40 0 CEABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cccn2C)C1 ZINC000257344015 371612684 /nfs/dbraw/zinc/61/26/84/371612684.db2.gz ZVLBDGVHJKFUBZ-ZDUSSCGKSA-N 0 3 258.369 2.436 40 0 CEABHN COc1cccc(CCNCc2c(C)nn(C)c2F)c1 ZINC000256053315 190004853 /nfs/dbraw/zinc/00/48/53/190004853.db2.gz QYRPHKLHYPDEIW-UHFFFAOYSA-N 0 3 277.343 2.209 40 0 CEABHN Cc1c(CNCCCOC(C)C)cnn1CC(F)F ZINC000256053584 190004988 /nfs/dbraw/zinc/00/49/88/190004988.db2.gz SAOOAMFRRLCQTA-UHFFFAOYSA-N 0 3 275.343 2.361 40 0 CEABHN COc1ccccc1[C@@H]1CNCCN1Cc1nccs1 ZINC000257206304 190011530 /nfs/dbraw/zinc/01/15/30/190011530.db2.gz BCTLXZPJGMTFRS-ZDUSSCGKSA-N 0 3 289.404 2.298 40 0 CEABHN c1cn2c(n1)nccc2[C@@H]1CCN(Cc2cccnc2)C1 ZINC000257276849 190025315 /nfs/dbraw/zinc/02/53/15/190025315.db2.gz NVJLWZFDALSBOM-CQSZACIVSA-N 0 3 279.347 2.114 40 0 CEABHN Cc1nc(N)sc1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000257327227 190034841 /nfs/dbraw/zinc/03/48/41/190034841.db2.gz XAOFQNFTSRRGKC-SNVBAGLBSA-N 0 3 289.408 2.300 40 0 CEABHN O=C1[C@@H]2CN(Cc3ccco3)C[C@H]2CN1c1ccccc1 ZINC000247703188 394534670 /nfs/dbraw/zinc/53/46/70/394534670.db2.gz BGDQONXEAPMOTO-XJKSGUPXSA-N 0 3 282.343 2.374 40 0 CEABHN CCOC(=O)[C@H](CN)C(C)(C)Nc1ccc(OC)cc1 ZINC000072210417 394592289 /nfs/dbraw/zinc/59/22/89/394592289.db2.gz FFONIHQOCSNMJJ-ZDUSSCGKSA-N 0 3 280.368 2.024 40 0 CEABHN COc1cc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)ccc1O ZINC000006641590 170221243 /nfs/dbraw/zinc/22/12/43/170221243.db2.gz VIYIGAXHNUOMNI-MAZHCROVSA-N 0 3 277.364 2.357 40 0 CEABHN O=C(NCCN1CCCCCC1)c1cccc(F)c1 ZINC000038641939 174150829 /nfs/dbraw/zinc/15/08/29/174150829.db2.gz KBZTVLYHVBAUQA-UHFFFAOYSA-N 0 3 264.344 2.432 40 0 CEABHN COc1ccc(OC)c([C@H](CN)N2CCC(C)CC2)c1 ZINC000038827644 174157479 /nfs/dbraw/zinc/15/74/79/174157479.db2.gz YMXPDGOMTISLEZ-HNNXBMFYSA-N 0 3 278.396 2.436 40 0 CEABHN Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072359947 176377088 /nfs/dbraw/zinc/37/70/88/176377088.db2.gz OOWFHNZAELRRSJ-GFCCVEGCSA-N 0 3 284.367 2.128 40 0 CEABHN Cn1ccnc1CNc1cccc(C2CCN(C)CC2)n1 ZINC000072365424 176380377 /nfs/dbraw/zinc/38/03/77/176380377.db2.gz LKQMNENBOMTBDO-UHFFFAOYSA-N 0 3 285.395 2.236 40 0 CEABHN c1cn2c(n1)nccc2[C@@H]1CCN(Cc2ccncc2)C1 ZINC000072367947 176382130 /nfs/dbraw/zinc/38/21/30/176382130.db2.gz LNYRJIPXBSYOCP-CQSZACIVSA-N 0 3 279.347 2.114 40 0 CEABHN Cc1cccnc1-n1cccc1CN1CCC[C@H](CO)C1 ZINC000072397856 176395369 /nfs/dbraw/zinc/39/53/69/176395369.db2.gz LJZSYCIDBKWIJK-HNNXBMFYSA-N 0 3 285.391 2.385 40 0 CEABHN CC(=O)N1c2ccc(Br)cc2C(=O)C1C ZINC000104092095 277021369 /nfs/dbraw/zinc/02/13/69/277021369.db2.gz ROGCZEILBBXWBX-ZCFIWIBFSA-N 0 3 268.110 2.387 40 0 CEABHN CC(=O)NCc1cc([C@H]2CCCN2C(C)C)ccn1 ZINC000257284344 278124075 /nfs/dbraw/zinc/12/40/75/278124075.db2.gz PCHGPFRHCHSVDU-OAHLLOKOSA-N 0 3 261.369 2.263 40 0 CEABHN CCOC[C@@H]1CCC[C@@]12CN(CC1CCOCC1)CCO2 ZINC000096051878 185074251 /nfs/dbraw/zinc/07/42/51/185074251.db2.gz YWEOLEHBYKGXFN-DLBZAZTESA-N 0 3 297.439 2.321 40 0 CEABHN COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1ccncc1)C2 ZINC000096089853 185094989 /nfs/dbraw/zinc/09/49/89/185094989.db2.gz HVAHXPKUFJYZSK-IRXDYDNUSA-N 0 3 290.407 2.489 40 0 CEABHN COc1cccc([C@H](CN)N2CCC[C@H](C)C2)c1OC ZINC000036100775 361828374 /nfs/dbraw/zinc/82/83/74/361828374.db2.gz IBVVTNVBRHXFIS-JSGCOSHPSA-N 0 3 278.396 2.436 40 0 CEABHN CNc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(C)n1 ZINC000329012106 136377435 /nfs/dbraw/zinc/37/74/35/136377435.db2.gz MJLIRJSHIGKKFI-LLVKDONJSA-N 0 3 298.390 2.443 40 0 CEABHN O=C(CNCCc1ccccc1)c1cccc(O)c1 ZINC000071618574 343801457 /nfs/dbraw/zinc/80/14/57/343801457.db2.gz IUZZTUAFPBHQOS-UHFFFAOYSA-N 0 3 255.317 2.407 40 0 CEABHN CN(C(=O)OC(C)(C)C)[C@H](C(=N)NO)C1CCCC1 ZINC000409437566 344889142 /nfs/dbraw/zinc/88/91/42/344889142.db2.gz ACUQGUCVBMTTAJ-JTQLQIEISA-N 0 3 271.361 2.368 40 0 CEABHN CN(C(=O)OC(C)(C)C)C1(C(=N)NO)CCCC1 ZINC000409438429 344889523 /nfs/dbraw/zinc/88/95/23/344889523.db2.gz COYWJVGSZORAQF-UHFFFAOYSA-N 0 3 257.334 2.122 40 0 CEABHN Cc1cc(C)nc(NCCCNCc2ccncc2)n1 ZINC000062717850 362721466 /nfs/dbraw/zinc/72/14/66/362721466.db2.gz KBVFVQFRYCDTEM-UHFFFAOYSA-N 0 3 271.368 2.080 40 0 CEABHN CC(C)(C)OC(=O)Nc1ncnc2sc(CN)cc21 ZINC000090608982 180011778 /nfs/dbraw/zinc/01/17/78/180011778.db2.gz RKHJVOREMMOXOH-UHFFFAOYSA-N 0 3 280.353 2.497 40 0 CEABHN CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000108526821 186221314 /nfs/dbraw/zinc/22/13/14/186221314.db2.gz FQJZGXQTMMNVHU-NVXWUHKLSA-N 0 3 287.407 2.162 40 0 CEABHN CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000108535621 186221899 /nfs/dbraw/zinc/22/18/99/186221899.db2.gz NJSPWOZGJRDLMX-NVXWUHKLSA-N 0 3 287.407 2.162 40 0 CEABHN COc1ccc(C)cc1NC(=O)C1CCN(C)CC1 ZINC000074713367 363375731 /nfs/dbraw/zinc/37/57/31/363375731.db2.gz LYPOIYFPYGYJMO-UHFFFAOYSA-N 0 3 262.353 2.284 40 0 CEABHN CCc1ccc(-c2ccc(N3CCNCC3)nn2)cc1 ZINC000011567978 361359331 /nfs/dbraw/zinc/35/93/31/361359331.db2.gz LYDVWNRHPWQTAN-UHFFFAOYSA-N 0 3 268.364 2.116 40 0 CEABHN COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C)C1 ZINC000082326191 363765399 /nfs/dbraw/zinc/76/53/99/363765399.db2.gz NOMUHRXMJSXSEN-LBPRGKRZSA-N 0 3 262.353 2.284 40 0 CEABHN C=Cn1ncc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1C ZINC000012146534 361374703 /nfs/dbraw/zinc/37/47/03/361374703.db2.gz XKJBIGFPYFIZLS-CVEARBPZSA-N 0 3 275.396 2.419 40 0 CEABHN Cc1ccc2[nH]c3nc(SCCN(C)C)nnc3c2c1 ZINC000018996408 361520088 /nfs/dbraw/zinc/52/00/88/361520088.db2.gz YYWNDWIQENDYAP-UHFFFAOYSA-N 0 3 287.392 2.468 40 0 CEABHN Cc1ccc2[n-]c3nc(SCC[NH+](C)C)nnc3c2c1 ZINC000018996408 361520091 /nfs/dbraw/zinc/52/00/91/361520091.db2.gz YYWNDWIQENDYAP-UHFFFAOYSA-N 0 3 287.392 2.468 40 0 CEABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000019285244 361525665 /nfs/dbraw/zinc/52/56/65/361525665.db2.gz WBMJTKMHUYYTFG-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000019285244 361525671 /nfs/dbraw/zinc/52/56/71/361525671.db2.gz WBMJTKMHUYYTFG-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN CCc1noc(C)c1C(=O)NC[C@@H]1CCCCN1CC ZINC000019521278 361541971 /nfs/dbraw/zinc/54/19/71/361541971.db2.gz CSAINSJXKBKGSK-LBPRGKRZSA-N 0 3 279.384 2.150 40 0 CEABHN CCOC(=N)c1ccc(CN2CCC(O)CC2)cc1 ZINC000089212571 363950047 /nfs/dbraw/zinc/95/00/47/363950047.db2.gz QTRYTQBOQQEMAJ-UHFFFAOYSA-N 0 3 262.353 2.005 40 0 CEABHN CN1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccsc1)O2 ZINC000096208639 364412860 /nfs/dbraw/zinc/41/28/60/364412860.db2.gz BAIYODQYLBSSFB-DZGCQCFKSA-N 0 3 294.420 2.121 40 0 CEABHN Cc1ccc(CN2CCC3(C[C@@H]3C(=O)N(C)C)CC2)o1 ZINC000096227792 364414277 /nfs/dbraw/zinc/41/42/77/364414277.db2.gz ASZXKMFDJPCCOU-CQSZACIVSA-N 0 3 276.380 2.278 40 0 CEABHN CCN1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244282 364416862 /nfs/dbraw/zinc/41/68/62/364416862.db2.gz DUUDUSBRGORMPC-QGZVFWFLSA-N 0 3 296.374 2.032 40 0 CEABHN O=C1C[C@H]2[C@H](CCN2Cc2ccsc2)N1CC1CC1 ZINC000096245874 364416986 /nfs/dbraw/zinc/41/69/86/364416986.db2.gz PSBXRYJPWORANQ-KBPBESRZSA-N 0 3 276.405 2.333 40 0 CEABHN O=C(Nc1ccccc1)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096253405 364417322 /nfs/dbraw/zinc/41/73/22/364417322.db2.gz NHHKKJZQVBRHEV-OWCLPIDISA-N 0 3 286.375 2.124 40 0 CEABHN c1ccc(-c2ncnc3c2CCN([C@H]2CCOC2)CC3)cc1 ZINC000096255375 364418944 /nfs/dbraw/zinc/41/89/44/364418944.db2.gz BRSYLANQGCFRAR-HNNXBMFYSA-N 0 3 295.386 2.333 40 0 CEABHN COc1ccc2c3c1O[C@@H]1C=CC=C4[C@H](C2)N(C)CC[C@]341 ZINC000096316386 364420991 /nfs/dbraw/zinc/42/09/91/364420991.db2.gz UYDXNVYSAYJCMN-JOQOYGCGSA-N 0 3 281.355 2.450 40 0 biogenic,in-vitro CEABHN COc1ccccc1CCNC(=O)[C@H]1NCCCC1(C)C ZINC000230293973 370451548 /nfs/dbraw/zinc/45/15/48/370451548.db2.gz PORPMUBLYNLMKT-OAHLLOKOSA-N 0 3 290.407 2.132 40 0 CEABHN CNc1cc(C)nc([C@H]2CN(c3ccnc(C)n3)CCO2)c1 ZINC000257241779 371609582 /nfs/dbraw/zinc/60/95/82/371609582.db2.gz HZOGDGDBZVPGOA-OAHLLOKOSA-N 0 3 299.378 2.108 40 0 CEABHN CC(C)OCCCNCc1cnn(C)c1C(F)(F)F ZINC000256052060 190003591 /nfs/dbraw/zinc/00/35/91/190003591.db2.gz LTBBJBFXDXTMBK-UHFFFAOYSA-N 0 3 279.306 2.344 40 0 CEABHN Cc1cn(C)c([C@@H]2CCCN(Cc3[nH]cnc3C)C2)n1 ZINC000257272261 190023967 /nfs/dbraw/zinc/02/39/67/190023967.db2.gz NBRRDXRGHAQQFD-CYBMUJFWSA-N 0 3 273.384 2.140 40 0 CEABHN Cc1nc[nH]c1CN1CCC[C@@H](c2ccc3c[nH]nc3n2)C1 ZINC000257317848 190032767 /nfs/dbraw/zinc/03/27/67/190032767.db2.gz VLLGSVSFJHNQKH-CYBMUJFWSA-N 0 3 296.378 2.369 40 0 CEABHN CN(C)c1cc([C@@H]2CCCN(Cc3cnn(C)c3)C2)ccn1 ZINC000257314577 190032889 /nfs/dbraw/zinc/03/28/89/190032889.db2.gz UXOOSTUIZGVYKV-MRXNPFEDSA-N 0 3 299.422 2.261 40 0 CEABHN O=C(NC[C@@]1(F)CCCCNC1)OCc1ccccc1 ZINC000261506699 190039815 /nfs/dbraw/zinc/03/98/15/190039815.db2.gz ADWFTSJXLGLNML-OAHLLOKOSA-N 0 3 280.343 2.395 40 0 CEABHN CN(C[C@@H]1CCCCC1=O)C[C@@H]1CCCCC1=O ZINC000001706455 394452044 /nfs/dbraw/zinc/45/20/44/394452044.db2.gz AHSWXWCMUKTJBE-STQMWFEESA-N 0 3 251.370 2.437 40 0 CEABHN Fc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1 ZINC000096530153 394697941 /nfs/dbraw/zinc/69/79/41/394697941.db2.gz BIGHEBJOYZMDHX-CYBMUJFWSA-N 0 3 283.310 2.355 40 0 CEABHN CC(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408604103 395302067 /nfs/dbraw/zinc/30/20/67/395302067.db2.gz DJJKNZXVUDAVQI-MRXNPFEDSA-N 0 3 258.365 2.056 40 0 CEABHN CC(C)(C)c1nc(N2CCNCC2)cc(C(F)(F)F)n1 ZINC000026898592 273503417 /nfs/dbraw/zinc/50/34/17/273503417.db2.gz LNKWEXSUCTYYAC-UHFFFAOYSA-N 0 3 288.317 2.203 40 0 CEABHN NCc1c(Br)cncc1Br ZINC000199464727 295276738 /nfs/dbraw/zinc/27/67/38/295276738.db2.gz DXYIPLPXKPOBID-UHFFFAOYSA-N 0 3 265.936 2.065 40 0 CEABHN C[C@]12CCCN(Cc3ccccc3)[C@H]1CCC(=O)N2 ZINC000095951582 185039692 /nfs/dbraw/zinc/03/96/92/185039692.db2.gz OUVJUMLVGZIMIZ-HOCLYGCPSA-N 0 3 258.365 2.320 40 0 CEABHN CN1CCOCC12CCN(Cc1cccs1)CC2 ZINC000096048899 185073249 /nfs/dbraw/zinc/07/32/49/185073249.db2.gz RNCUGQVVYJNKQG-UHFFFAOYSA-N 0 3 266.410 2.045 40 0 CEABHN c1coc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053720 185074505 /nfs/dbraw/zinc/07/45/05/185074505.db2.gz BYTKRPZSTBUPQP-IYBDPMFKSA-N 0 3 283.375 2.238 40 0 CEABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000096056813 185077963 /nfs/dbraw/zinc/07/79/63/185077963.db2.gz PBORYDSXKKSBKD-IRXDYDNUSA-N 0 3 290.407 2.489 40 0 CEABHN CC(C)N(C)Cc1cnc2n1CCN(c1ccccn1)CC2 ZINC000096067884 185085750 /nfs/dbraw/zinc/08/57/50/185085750.db2.gz WFCWKGBVQHYAAT-UHFFFAOYSA-N 0 3 299.422 2.181 40 0 CEABHN CN(C(=O)OC(C)(C)C)[C@@H](C(=N)NO)C1CCCC1 ZINC000409437568 344888947 /nfs/dbraw/zinc/88/89/47/344888947.db2.gz ACUQGUCVBMTTAJ-SNVBAGLBSA-N 0 3 271.361 2.368 40 0 CEABHN CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260303 186164837 /nfs/dbraw/zinc/16/48/37/186164837.db2.gz BWMHZOIKSIBNDQ-DOTOQJQBSA-N 0 3 272.392 2.271 40 0 CEABHN CC(C)Oc1cccc(CNC(=O)C2CCN(C)CC2)c1 ZINC000081265714 363708791 /nfs/dbraw/zinc/70/87/91/363708791.db2.gz NGEWIFXIZHSQGF-UHFFFAOYSA-N 0 3 290.407 2.432 40 0 CEABHN O[C@H](COc1ccccc1Cl)CN1CCCC1 ZINC000001575355 361209216 /nfs/dbraw/zinc/20/92/16/361209216.db2.gz YQRCLZCHNCXIGR-NSHDSACASA-N 0 3 255.745 2.176 40 0 CEABHN CC(C)n1cc2c(n1)nc(N1CCNCC1)cc2C(F)F ZINC000012398893 361382419 /nfs/dbraw/zinc/38/24/19/361382419.db2.gz RFWQUZMVPGNCDR-UHFFFAOYSA-N 0 3 295.337 2.359 40 0 CEABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000019285245 361525336 /nfs/dbraw/zinc/52/53/36/361525336.db2.gz WBMJTKMHUYYTFG-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000019285245 361525341 /nfs/dbraw/zinc/52/53/41/361525341.db2.gz WBMJTKMHUYYTFG-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN O=C(CNC1CC1)Nc1ccc(Br)cc1 ZINC000019398179 361531376 /nfs/dbraw/zinc/53/13/76/361531376.db2.gz QIIURLXPUBGWBU-UHFFFAOYSA-N 0 3 269.142 2.140 40 0 CEABHN O[C@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096200434 364410899 /nfs/dbraw/zinc/41/08/99/364410899.db2.gz YAEWDXCHBMSKBU-IRXDYDNUSA-N 0 3 286.350 2.399 40 0 CEABHN Cc1nc(N2CCCC2)nc2c1CN(C(C)C)CC2 ZINC000096253838 364416010 /nfs/dbraw/zinc/41/60/10/364416010.db2.gz ODOFMQJHHZCKBW-UHFFFAOYSA-N 0 3 260.385 2.152 40 0 CEABHN C[C@@H](N[C@@H](C)c1nnnn1C)C(C)(C)c1ccccc1 ZINC000189842248 296152787 /nfs/dbraw/zinc/15/27/87/296152787.db2.gz VKWXDLPYGGFQTL-NWDGAFQWSA-N 0 3 273.384 2.227 40 0 CEABHN c1csc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588672 371530384 /nfs/dbraw/zinc/53/03/84/371530384.db2.gz NRAXYOAGABLPCC-LSDHHAIUSA-N 0 3 292.448 2.433 40 0 CEABHN CCCn1cc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)cn1 ZINC000257208581 190012553 /nfs/dbraw/zinc/01/25/53/190012553.db2.gz BMTJMYIZPJRJCU-AWEZNQCLSA-N 0 3 287.411 2.471 40 0 CEABHN Fc1ccc(OCCN2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000257215229 190013409 /nfs/dbraw/zinc/01/34/09/190013409.db2.gz CPFBIBJORCNXFG-LBPRGKRZSA-N 0 3 275.327 2.417 40 0 CEABHN C[C@H]1COC(=O)N1c1cccc(C2CCN(C)CC2)n1 ZINC000257216023 190013656 /nfs/dbraw/zinc/01/36/56/190013656.db2.gz CSSUHZCLZUYVAD-NSHDSACASA-N 0 3 275.352 2.236 40 0 CEABHN CCn1nccc1-c1cc(C)nc([C@@H]2CCCN(C)C2)n1 ZINC000257235786 190016693 /nfs/dbraw/zinc/01/66/93/190016693.db2.gz GZLNZXIDNNTHNX-CYBMUJFWSA-N 0 3 285.395 2.478 40 0 CEABHN CCn1nccc1-c1cc([C@H]2CCCN2C)nc(C)n1 ZINC000257223444 190014579 /nfs/dbraw/zinc/01/45/79/190014579.db2.gz DXJFVLHENFHJTA-CQSZACIVSA-N 0 3 271.368 2.435 40 0 CEABHN CCn1nccc1-c1cncc([C@H]2CCCN2C)n1 ZINC000257243294 190018717 /nfs/dbraw/zinc/01/87/17/190018717.db2.gz IGGJMFCIBRWUQO-CYBMUJFWSA-N 0 3 257.341 2.127 40 0 CEABHN Cc1nn(C)c(C)c1-c1cnc([C@@H]2CCCN(C)C2)cn1 ZINC000257247901 190018969 /nfs/dbraw/zinc/01/89/69/190018969.db2.gz JBBYOXWLKRNODH-CYBMUJFWSA-N 0 3 285.395 2.303 40 0 CEABHN Cc1ccccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257307675 190031494 /nfs/dbraw/zinc/03/14/94/190031494.db2.gz SZTWLWZWDWTSMS-HOTGVXAUSA-N 0 3 261.365 2.111 40 0 CEABHN COc1ccc([C@@H]2CNCCN2Cc2cccnc2)cc1 ZINC000257311094 190032048 /nfs/dbraw/zinc/03/20/48/190032048.db2.gz UHXRRWOUOGKQGS-KRWDZBQOSA-N 0 3 283.375 2.237 40 0 CEABHN COc1ccccc1CN1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257333836 190035600 /nfs/dbraw/zinc/03/56/00/190035600.db2.gz YDGXOVSXTUCOMP-IRXDYDNUSA-N 0 3 291.391 2.465 40 0 CEABHN Cc1cccnc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C)C2 ZINC000257330931 190035747 /nfs/dbraw/zinc/03/57/47/190035747.db2.gz XQQLDWRDFSEIMW-JTOWHCCKSA-N 0 3 299.418 2.477 40 0 CEABHN OCC[C@H]1CNCc2cccc(Br)c21 ZINC000095868225 285267032 /nfs/dbraw/zinc/26/70/32/285267032.db2.gz HMQHPXCWBYYQCA-VIFPVBQESA-N 0 3 256.143 2.018 40 0 CEABHN Cc1cccc(CN2CCc3ncnc(C)c3CC2)n1 ZINC000096254961 256835433 /nfs/dbraw/zinc/83/54/33/256835433.db2.gz BGWDFMASZAXVDR-UHFFFAOYSA-N 0 3 268.364 2.089 40 0 CEABHN CN1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216236 394592761 /nfs/dbraw/zinc/59/27/61/394592761.db2.gz SFHHAQJPVLWVON-CQSZACIVSA-N 0 3 261.369 2.075 40 0 CEABHN CCN1CCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219616 394594500 /nfs/dbraw/zinc/59/45/00/394594500.db2.gz UCVIXKWXANQIQC-OAHLLOKOSA-N 0 3 275.396 2.383 40 0 CEABHN C[C@](F)(CN)c1ccc(I)cc1 ZINC000201652476 400298750 /nfs/dbraw/zinc/29/87/50/400298750.db2.gz XDIKWYATCBJREJ-VIFPVBQESA-N 0 3 279.096 2.435 40 0 CEABHN COC(=O)[C@H](c1ccccc1)[C@@]1(O)C[C@H](C)N(C)C[C@H]1C ZINC000004474246 169970436 /nfs/dbraw/zinc/97/04/36/169970436.db2.gz XGFOAXWEGYBKCA-RPCCPQHDSA-N 0 3 291.391 2.034 40 0 CEABHN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)C ZINC000010111496 170397718 /nfs/dbraw/zinc/39/77/18/170397718.db2.gz ARHWIZNXDCLEKH-JTQLQIEISA-N 0 3 286.828 2.498 40 0 CEABHN CCOc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022166632 171366381 /nfs/dbraw/zinc/36/63/81/171366381.db2.gz KZMZFCSIRMTEJX-DVOMOZLQSA-N 0 3 278.396 2.194 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2cc(F)ccc2F)C[C@@H](C)O1 ZINC000037233461 173052075 /nfs/dbraw/zinc/05/20/75/173052075.db2.gz AOEFDDJIKRFNLE-RULNRJAQSA-N 0 3 270.323 2.074 40 0 CEABHN CCc1nccn1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000072355466 176375006 /nfs/dbraw/zinc/37/50/06/176375006.db2.gz OJSXZGGKDZJOIR-LBPRGKRZSA-N 0 3 271.368 2.034 40 0 CEABHN CNc1ccc(C[C@@H]2CCCN(Cc3cccnc3)C2)nn1 ZINC000072387311 176392497 /nfs/dbraw/zinc/39/24/97/176392497.db2.gz UKEPVTDTKSSVIU-AWEZNQCLSA-N 0 3 297.406 2.368 40 0 CEABHN CN1CCC(c2ccc(N[C@H]3CCCOC3)cn2)CC1 ZINC000072386911 176392703 /nfs/dbraw/zinc/39/27/03/176392703.db2.gz KIRRDGXEFCOMCW-HNNXBMFYSA-N 0 3 275.396 2.482 40 0 CEABHN CN1CCC[C@H](C(=O)N2CCCc3ccccc32)C1 ZINC000078578577 277073161 /nfs/dbraw/zinc/07/31/61/277073161.db2.gz UWAWCIPZQWWYAG-AWEZNQCLSA-N 0 3 258.365 2.308 40 0 CEABHN CCNc1ncc(CNCCc2ccccc2OC)cn1 ZINC000062717565 333175816 /nfs/dbraw/zinc/17/58/16/333175816.db2.gz FHIFNMXVBHKZGJ-UHFFFAOYSA-N 0 3 286.379 2.249 40 0 CEABHN CCN1CCC[C@@H]1CNc1cc(Cl)nc(C)n1 ZINC000052835978 521640996 /nfs/dbraw/zinc/64/09/96/521640996.db2.gz OLQNRDUNSFETGB-SNVBAGLBSA-N 0 3 254.765 2.335 40 0 CEABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1c1ccsc1 ZINC000096053680 185074392 /nfs/dbraw/zinc/07/43/92/185074392.db2.gz HTCMTAUQLQUVPH-JSGCOSHPSA-N 0 3 288.372 2.436 40 0 CEABHN c1cncc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)c1 ZINC000096057993 185078656 /nfs/dbraw/zinc/07/86/56/185078656.db2.gz LOOQGPKFTYJUDD-GVDBMIGSSA-N 0 3 288.391 2.240 40 0 CEABHN CCO[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096106566 185098542 /nfs/dbraw/zinc/09/85/42/185098542.db2.gz ZIUBHNWKFMIABH-CQSZACIVSA-N 0 3 265.353 2.440 40 0 CEABHN COC[C@@]12CCO[C@@H]1CCN(Cc1ccccc1F)C2 ZINC000096110329 185101293 /nfs/dbraw/zinc/10/12/93/185101293.db2.gz NHAGCVKGIQROMW-CVEARBPZSA-N 0 3 279.355 2.453 40 0 CEABHN COc1ccccc1CN1CC[C@H](c2nnc(C)o2)C1 ZINC000049169215 362343385 /nfs/dbraw/zinc/34/33/85/362343385.db2.gz JKFFBJOKGRLYDF-ZDUSSCGKSA-N 0 3 273.336 2.376 40 0 biogenic,in-vitro CEABHN Cc1ccc(CNC(=O)OC(C)(C)C)c(CN)c1 ZINC000090608764 180012124 /nfs/dbraw/zinc/01/21/24/180012124.db2.gz INZVSBLPAGWEDC-UHFFFAOYSA-N 0 3 250.342 2.478 40 0 CEABHN C[C@@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnn(C)c1 ZINC000134788444 366360151 /nfs/dbraw/zinc/36/01/51/366360151.db2.gz IMPVPRPJPBOPHW-SAXRGWBVSA-N 0 3 261.369 2.028 40 0 CEABHN O=C([O-])CN1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416241 363598979 /nfs/dbraw/zinc/59/89/79/363598979.db2.gz ZBXQQJHMZLWEKY-HNNXBMFYSA-N 0 3 288.391 2.058 40 0 CEABHN O=C([O-])CN1CC[C@H](C[N@@H+](Cc2ccccc2)C2CC2)C1 ZINC000079416241 363598984 /nfs/dbraw/zinc/59/89/84/363598984.db2.gz ZBXQQJHMZLWEKY-HNNXBMFYSA-N 0 3 288.391 2.058 40 0 CEABHN CC(C)N(CCO)Cc1ccc(Br)nc1 ZINC000079421508 363598656 /nfs/dbraw/zinc/59/86/56/363598656.db2.gz IBKZNHOTNHVJNQ-UHFFFAOYSA-N 0 3 273.174 2.047 40 0 CEABHN CC(C)N(Cc1ccccc1Cl)C(=O)[C@H](C)N ZINC000079420565 363598828 /nfs/dbraw/zinc/59/88/28/363598828.db2.gz WSLNYNKTMLIDLF-JTQLQIEISA-N 0 3 254.761 2.424 40 0 CEABHN C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2ccncc2)CC1 ZINC000019405270 361531415 /nfs/dbraw/zinc/53/14/15/361531415.db2.gz PRYFOBKVCOFJMK-FGTMMUONSA-N 0 3 283.419 2.411 40 0 CEABHN O[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccccc1 ZINC000096200005 364408977 /nfs/dbraw/zinc/40/89/77/364408977.db2.gz SHHJJYVUXFXGRJ-DLBZAZTESA-N 0 3 268.360 2.260 40 0 CEABHN COc1ccc(CN2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000096157721 364403135 /nfs/dbraw/zinc/40/31/35/364403135.db2.gz JTEVKIXTTRQJRM-UHFFFAOYSA-N 0 3 288.391 2.140 40 0 CEABHN CCN1C(=O)CCC12CCN(Cc1ccncc1)CC2 ZINC000096228022 364414850 /nfs/dbraw/zinc/41/48/50/364414850.db2.gz OEMGZJPNTLLCPD-UHFFFAOYSA-N 0 3 273.380 2.059 40 0 CEABHN CN1CC[C@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC000096244836 364416738 /nfs/dbraw/zinc/41/67/38/364416738.db2.gz FFJBFTAHQQYHIP-INIZCTEOSA-N 0 3 256.349 2.017 40 0 CEABHN Cc1cc(C)c(C(=O)NC2CCN(C)CC2)cc1C ZINC000225652255 370309830 /nfs/dbraw/zinc/30/98/30/370309830.db2.gz MSVNJTNDMGPHTG-UHFFFAOYSA-N 0 3 260.381 2.436 40 0 CEABHN NCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ccc(F)cc1 ZINC000257223985 371610919 /nfs/dbraw/zinc/61/09/19/371610919.db2.gz DZTWPTNJEOLBKL-IIAWOOMASA-N 0 3 290.382 2.202 40 0 CEABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000257201154 190010824 /nfs/dbraw/zinc/01/08/24/190010824.db2.gz AGNOWOWNIJNTCS-CQSZACIVSA-N 0 3 287.411 2.215 40 0 CEABHN Cc1cccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)n1 ZINC000257232190 190016665 /nfs/dbraw/zinc/01/66/65/190016665.db2.gz GJTVZEZVWIBBEI-SCNOPHJPSA-N 0 3 299.418 2.477 40 0 CEABHN COCCN1CCC[C@H](c2cccc(-c3cc[nH]n3)n2)C1 ZINC000257249943 190019843 /nfs/dbraw/zinc/01/98/43/190019843.db2.gz JKIZXPTUOJHNTF-ZDUSSCGKSA-N 0 3 286.379 2.298 40 0 CEABHN COc1ccc([C@H]2CNCCN2Cc2ccncc2)cc1 ZINC000257268309 190023647 /nfs/dbraw/zinc/02/36/47/190023647.db2.gz MLBVLUIQIGYIJG-QGZVFWFLSA-N 0 3 283.375 2.237 40 0 CEABHN CCn1nccc1-c1nccnc1[C@H]1CCCN(C)C1 ZINC000257287782 190026710 /nfs/dbraw/zinc/02/67/10/190026710.db2.gz PRMRUMBIKSOESD-LBPRGKRZSA-N 0 3 271.368 2.169 40 0 CEABHN Cc1cc(-c2cnc(C[C@H]3CCCN(C)C3)cn2)n[nH]1 ZINC000257329383 190035058 /nfs/dbraw/zinc/03/50/58/190035058.db2.gz XJTOTBKNTIVXLA-GFCCVEGCSA-N 0 3 271.368 2.059 40 0 CEABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)o1 ZINC000096184801 256814083 /nfs/dbraw/zinc/81/40/83/256814083.db2.gz KWKMQUNPKHCCEZ-CABCVRRESA-N 0 3 284.363 2.231 40 0 CEABHN CCOC(=O)[C@H]1[C@H]2CC[C@@H]1N(Cc1ccccc1)C2 ZINC000026895315 394479322 /nfs/dbraw/zinc/47/93/22/394479322.db2.gz HDLAPPYOWZTRFN-KKUMJFAQSA-N 0 3 259.349 2.460 40 0 CEABHN Cc1cc(NC(=O)CNCC2CCCCC2)no1 ZINC000004969198 170046940 /nfs/dbraw/zinc/04/69/40/170046940.db2.gz ZZGYLLKOEOPZMB-UHFFFAOYSA-N 0 3 251.330 2.091 40 0 CEABHN CCOc1ccc(C(=O)OCCN(C)C)cc1OCC ZINC000005466643 170102022 /nfs/dbraw/zinc/10/20/22/170102022.db2.gz RDKFSYZTMBLRNQ-UHFFFAOYSA-N 0 3 281.352 2.202 40 0 CEABHN CC(C)c1ccccc1O[C@H](C)C(=O)NCCN(C)C ZINC000022510519 171389200 /nfs/dbraw/zinc/38/92/00/171389200.db2.gz FQONHXVUAQUKMD-CYBMUJFWSA-N 0 3 278.396 2.255 40 0 CEABHN Oc1ccc(CN2CCOC[C@@H](Cc3ccccn3)C2)cc1 ZINC000072385362 176389888 /nfs/dbraw/zinc/38/98/88/176389888.db2.gz CKJCFSNUPYUEMQ-INIZCTEOSA-N 0 3 298.386 2.478 40 0 CEABHN Cc1ccc(/C=C/C(=O)NC2CCN(C)CC2)cc1 ZINC000078473070 177344322 /nfs/dbraw/zinc/34/43/22/177344322.db2.gz SZUITUCCEPTDKU-BQYQJAHWSA-N 0 3 258.365 2.219 40 0 CEABHN COc1ccc(C2=CNC(C(F)(F)F)=C[C@H]2N)cc1 ZINC000101027460 277884613 /nfs/dbraw/zinc/88/46/13/277884613.db2.gz SKCOAIUEIJDDRM-LLVKDONJSA-N 0 3 270.254 2.413 40 0 CEABHN COc1ccc(Cl)c2c(N3CCNCC3)ccnc12 ZINC000225321653 277903377 /nfs/dbraw/zinc/90/33/77/277903377.db2.gz AMSNSJDYRRBTPY-UHFFFAOYSA-N 0 3 277.755 2.306 40 0 CEABHN COc1ccc([C@@H](N)c2nnc(C(C)(C)C)[nH]2)cc1OC ZINC000095533876 185007038 /nfs/dbraw/zinc/00/70/38/185007038.db2.gz OYKUNAUZWAWOJI-GFCCVEGCSA-N 0 3 290.367 2.168 40 0 CEABHN COc1ccc([C@@H](N)c2n[nH]c(C(C)(C)C)n2)cc1OC ZINC000095533876 185007040 /nfs/dbraw/zinc/00/70/40/185007040.db2.gz OYKUNAUZWAWOJI-GFCCVEGCSA-N 0 3 290.367 2.168 40 0 CEABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccncc3)n2)cc1 ZINC000095534071 185007125 /nfs/dbraw/zinc/00/71/25/185007125.db2.gz VIFXVZRNRCQNTO-CYBMUJFWSA-N 0 3 265.320 2.223 40 0 CEABHN N[C@H](Cc1ccccc1)c1nc(-c2ccccn2)n[nH]1 ZINC000095534855 185008580 /nfs/dbraw/zinc/00/85/80/185008580.db2.gz ZNZKYOXYLNDPRV-GFCCVEGCSA-N 0 3 265.320 2.109 40 0 CEABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC000096047932 185072577 /nfs/dbraw/zinc/07/25/77/185072577.db2.gz XYEPWIGOPNCTIG-GFCCVEGCSA-N 0 3 294.420 2.073 40 0 CEABHN O=C1CCC[C@]2(CCCN(Cc3cccs3)C2)N1 ZINC000096049931 185075119 /nfs/dbraw/zinc/07/51/19/185075119.db2.gz RKQNOLQBNYLTTP-CQSZACIVSA-N 0 3 264.394 2.383 40 0 CEABHN CNc1cc(N2CCc3ccccc3C2)nc(C)n1 ZINC000122757283 365631710 /nfs/dbraw/zinc/63/17/10/365631710.db2.gz OCROGTACMRJOAG-UHFFFAOYSA-N 0 3 254.337 2.389 40 0 CEABHN CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1 ZINC000096629294 185108033 /nfs/dbraw/zinc/10/80/33/185108033.db2.gz ZBDYBEQJLPNGRN-CYBMUJFWSA-N 0 3 290.363 2.144 40 0 CEABHN Clc1nccc(N2CC[C@H](N3CCCCC3)C2)n1 ZINC000038579667 361986560 /nfs/dbraw/zinc/98/65/60/361986560.db2.gz GJQUCMCVPMUAFD-NSHDSACASA-N 0 3 266.776 2.195 40 0 CEABHN CC(C)[C@H](N)C(=O)NCc1ccccc1Br ZINC000042419468 362093346 /nfs/dbraw/zinc/09/33/46/362093346.db2.gz JSXGBEZTXIXIOQ-NSHDSACASA-N 0 3 285.185 2.049 40 0 CEABHN COc1ccc(CN2CC[C@H](c3nnc(C)o3)C2)cc1 ZINC000049169157 362342782 /nfs/dbraw/zinc/34/27/82/362342782.db2.gz VBPPIUKSGHNGDF-ZDUSSCGKSA-N 0 3 273.336 2.376 40 0 biogenic,in-vitro CEABHN COc1ccc([C@@H](CN)N2CCC[C@H](C)C2)c(OC)c1 ZINC000108349949 344264737 /nfs/dbraw/zinc/26/47/37/344264737.db2.gz SBZBRJHTMRUIII-SWLSCSKDSA-N 0 3 278.396 2.436 40 0 CEABHN CCN1CCN[C@@H](c2cccc(Br)c2)C1 ZINC000056894805 362564482 /nfs/dbraw/zinc/56/44/82/362564482.db2.gz BZUDSMCRMQDHGH-GFCCVEGCSA-N 0 3 269.186 2.415 40 0 CEABHN Cc1cc(C)nc(NCCNCc2ccccc2)n1 ZINC000062717842 362721296 /nfs/dbraw/zinc/72/12/96/362721296.db2.gz CZFWXHMRCHNXJI-UHFFFAOYSA-N 0 3 256.353 2.295 40 0 CEABHN COc1ccc(C[C@@H](N)C(=O)Nc2ccccc2)cc1 ZINC000001594226 540298611 /nfs/dbraw/zinc/29/86/11/540298611.db2.gz SSYPBMLUAFBZQI-OAHLLOKOSA-N 0 3 270.332 2.204 40 0 CEABHN COc1ccc([C@@H](N)CNC(=O)OC(C)(C)C)cc1OC ZINC000012357115 361378747 /nfs/dbraw/zinc/37/87/47/361378747.db2.gz CBRLLEQPSYHBMS-NSHDSACASA-N 0 3 296.367 2.228 40 0 CEABHN Cc1ccc(NC(=S)NCCN(C)C)c(C)c1 ZINC000013765457 361442709 /nfs/dbraw/zinc/44/27/09/361442709.db2.gz PVUHVUKGYFPAJO-UHFFFAOYSA-N 0 3 251.399 2.151 40 0 CEABHN COc1cccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285257 361527211 /nfs/dbraw/zinc/52/72/11/361527211.db2.gz PIZJRIXZJITVMN-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN COc1cccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000019285257 361527215 /nfs/dbraw/zinc/52/72/15/361527215.db2.gz PIZJRIXZJITVMN-CQSZACIVSA-N 0 3 299.374 2.076 40 0 CEABHN CC(C)[C@H](N)C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000019479346 361537179 /nfs/dbraw/zinc/53/71/79/361537179.db2.gz ACEIVLAZNMBOKD-NSHDSACASA-N 0 3 274.286 2.305 40 0 CEABHN CCO[C@H]1COC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC000096158719 364403548 /nfs/dbraw/zinc/40/35/48/364403548.db2.gz BXJSUELUQNXEBZ-CQSZACIVSA-N 0 3 294.395 2.451 40 0 CEABHN Fc1cccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096161690 364404708 /nfs/dbraw/zinc/40/47/08/364404708.db2.gz ALEBMQQYHNWJTG-GASCZTMLSA-N 0 3 298.365 2.184 40 0 CEABHN Cc1cccc(CN2CCC3(C[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000096227796 364414067 /nfs/dbraw/zinc/41/40/67/364414067.db2.gz VLLWNQYLGUCFOP-OAHLLOKOSA-N 0 3 287.407 2.080 40 0 CEABHN CC(C)CN1c2ccccc2[C@@]2(CCN(C)C2)C1=O ZINC000096244820 364416353 /nfs/dbraw/zinc/41/63/53/364416353.db2.gz AJZUFCQOSPEPBC-INIZCTEOSA-N 0 3 258.365 2.263 40 0 CEABHN C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCN(C)C ZINC000225563989 189757424 /nfs/dbraw/zinc/75/74/24/189757424.db2.gz BNYFBFVEJUXPIV-CYBMUJFWSA-N 0 3 290.407 2.011 40 0 CEABHN CC[C@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225601696 370306906 /nfs/dbraw/zinc/30/69/06/370306906.db2.gz GDRZQERMPANLFV-INIZCTEOSA-N 0 3 294.395 2.381 40 0 CEABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccsc1)C2 ZINC000247957426 371150560 /nfs/dbraw/zinc/15/05/60/371150560.db2.gz PCOOAHQOSIDBAW-ZFWWWQNUSA-N 0 3 278.421 2.486 40 0 CEABHN CN1C(=O)CCC[C@H]2CN(CCC(F)(F)F)CC[C@H]21 ZINC000257306404 371612992 /nfs/dbraw/zinc/61/29/92/371612992.db2.gz SUEJAJGXNHZRHN-WDEREUQCSA-N 0 3 278.318 2.272 40 0 CEABHN Cc1cnc([N-]c2nccnc2[C@H]2CCC[NH2+]C2)s1 ZINC000257238503 190017969 /nfs/dbraw/zinc/01/79/69/190017969.db2.gz HLHMZDVAWNXIPX-JTQLQIEISA-N 0 3 275.381 2.452 40 0 CEABHN Cc1nn(C)c(C)c1-c1cnc([C@H]2CCCN(C)C2)cn1 ZINC000257247902 190019124 /nfs/dbraw/zinc/01/91/24/190019124.db2.gz JBBYOXWLKRNODH-ZDUSSCGKSA-N 0 3 285.395 2.303 40 0 CEABHN CN1CCC[C@H](c2ccnc(C(=O)NCC3CC3)c2)C1 ZINC000257245183 190019179 /nfs/dbraw/zinc/01/91/79/190019179.db2.gz IOKONQJFVQYGPM-AWEZNQCLSA-N 0 3 273.380 2.031 40 0 CEABHN CCn1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257251164 190020167 /nfs/dbraw/zinc/02/01/67/190020167.db2.gz JPRYTVGHTSREFD-AWEZNQCLSA-N 0 3 273.384 2.314 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3cncn3C)C2)c1 ZINC000257271532 190023834 /nfs/dbraw/zinc/02/38/34/190023834.db2.gz MYRNTEVPBFDTBB-ZDUSSCGKSA-N 0 3 285.395 2.155 40 0 CEABHN CN1CCN(CC2CCOCC2)C[C@@H]1c1ccccc1 ZINC000257276968 190025377 /nfs/dbraw/zinc/02/53/77/190025377.db2.gz NVXIWKSFLGNMOR-QGZVFWFLSA-N 0 3 274.408 2.402 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3c[nH]cn3)C2)c1 ZINC000257274130 190025079 /nfs/dbraw/zinc/02/50/79/190025079.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 0 3 271.368 2.144 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3cnc[nH]3)C2)c1 ZINC000257274130 190025080 /nfs/dbraw/zinc/02/50/80/190025080.db2.gz NJRLTDPFJWPQDG-GFCCVEGCSA-N 0 3 271.368 2.144 40 0 CEABHN Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C)C2)n1 ZINC000257326440 190035104 /nfs/dbraw/zinc/03/51/04/190035104.db2.gz WXFQOWZEHGEQRD-SNVBAGLBSA-N 0 3 275.381 2.404 40 0 CEABHN CCN(C[C@H]1CCCCN1CCO)C(=O)OC(C)(C)C ZINC000079408014 285083249 /nfs/dbraw/zinc/08/32/49/285083249.db2.gz MDVPSSCHAXHKJZ-CYBMUJFWSA-N 0 3 286.416 2.090 40 0 CEABHN CCCN1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216223 394593755 /nfs/dbraw/zinc/59/37/55/394593755.db2.gz ZKEHSAHONRMGKA-OAHLLOKOSA-N 0 3 275.396 2.465 40 0 CEABHN CC[C@H]1N(Cc2scnc2C)CCC[C@]12CCC(=O)N2 ZINC000096045692 394675966 /nfs/dbraw/zinc/67/59/66/394675966.db2.gz FESZVCFWLDMAKC-HIFRSBDPSA-N 0 3 293.436 2.475 40 0 CEABHN C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2ccccn2)CC1 ZINC000019831745 400106054 /nfs/dbraw/zinc/10/60/54/400106054.db2.gz YTCPQGGPLXYDOA-IXDOHACOSA-N 0 3 283.419 2.411 40 0 CEABHN CSCSC[C@H](CO)NCc1ccccc1 ZINC000006485367 170205542 /nfs/dbraw/zinc/20/55/42/170205542.db2.gz NCYQXZFKRIWXJK-LBPRGKRZSA-N 0 3 257.424 2.191 40 0 CEABHN COc1cc(C=O)ccc1OCCCN1CCCC1 ZINC000008731479 170351029 /nfs/dbraw/zinc/35/10/29/170351029.db2.gz OHSAKLPZMMMCEA-UHFFFAOYSA-N 0 3 263.337 2.372 40 0 CEABHN CCN(CC)CCOc1c(C=O)cccc1OC ZINC000009261346 170369371 /nfs/dbraw/zinc/36/93/71/170369371.db2.gz SXLPHRSKPZOZQJ-UHFFFAOYSA-N 0 3 251.326 2.228 40 0 CEABHN O=C(CNCCc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000035311494 172122129 /nfs/dbraw/zinc/12/21/29/172122129.db2.gz HRPLVCVLNSYRAM-UHFFFAOYSA-N 0 3 298.342 2.186 40 0 CEABHN COc1ccc([C@H](CN)N2CCC(C)CC2)cc1OC ZINC000038808919 174156173 /nfs/dbraw/zinc/15/61/73/174156173.db2.gz YBNQCSUGMRKFHD-AWEZNQCLSA-N 0 3 278.396 2.436 40 0 CEABHN CCN1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000072361582 176377490 /nfs/dbraw/zinc/37/74/90/176377490.db2.gz UOXXUOBJMIQXHS-LBPRGKRZSA-N 0 3 284.367 2.210 40 0 CEABHN CN1CCC[C@@H](c2nccnc2Nc2nccs2)C1 ZINC000072364726 176379780 /nfs/dbraw/zinc/37/97/80/176379780.db2.gz ONSQBBYKCJNLRL-SNVBAGLBSA-N 0 3 275.381 2.486 40 0 CEABHN Cc1ccnc(NC(=O)c2cc([C@H]3CCCN3)nc(C)n2)c1 ZINC000072365654 176381231 /nfs/dbraw/zinc/38/12/31/176381231.db2.gz RJDNRHOMFSYCNR-GFCCVEGCSA-N 0 3 297.362 2.165 40 0 CEABHN Cc1cc(C)nc(NCCNCc2ccsc2)n1 ZINC000062717894 333176047 /nfs/dbraw/zinc/17/60/47/333176047.db2.gz PNYOQMOSFFACTB-UHFFFAOYSA-N 0 3 262.382 2.357 40 0 CEABHN NCc1cn(Cc2cc(Cl)cc(Cl)c2)nn1 ZINC000409423580 623495777 /nfs/dbraw/zinc/49/57/77/623495777.db2.gz PGUKYVJIUHSSCT-UHFFFAOYSA-N 0 3 257.124 2.092 40 0 CEABHN O=C1CC[C@@]2(CCCN(Cc3ccsc3)CC2)N1 ZINC000096047440 185073517 /nfs/dbraw/zinc/07/35/17/185073517.db2.gz HMSWASPJGMMJLA-CQSZACIVSA-N 0 3 264.394 2.383 40 0 CEABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096056812 185077407 /nfs/dbraw/zinc/07/74/07/185077407.db2.gz PBORYDSXKKSBKD-IAGOWNOFSA-N 0 3 290.407 2.489 40 0 CEABHN CCc1ncnc2c1CCN(Cc1cccnc1)CC2 ZINC000096058607 185078515 /nfs/dbraw/zinc/07/85/15/185078515.db2.gz GEABEENMJGRINO-UHFFFAOYSA-N 0 3 268.364 2.035 40 0 CEABHN CC(C)N(C)Cc1n[nH]c2c1CCN(CC1CC1)C2 ZINC000096084098 185092561 /nfs/dbraw/zinc/09/25/61/185092561.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 0 3 262.401 2.018 40 0 CEABHN CC(C)N(C)Cc1[nH]nc2c1CCN(CC1CC1)C2 ZINC000096084098 185092562 /nfs/dbraw/zinc/09/25/62/185092562.db2.gz HLUYRKGXJJWRJZ-UHFFFAOYSA-N 0 3 262.401 2.018 40 0 CEABHN COc1ccc2c3c1O[C@H]1C=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000038258179 361985224 /nfs/dbraw/zinc/98/52/24/361985224.db2.gz UYDXNVYSAYJCMN-QIIPPGSGSA-N 0 3 281.355 2.450 40 0 biogenic,in-vitro CEABHN C[C@H](CNCc1cccnc1)C(=O)OC(C)(C)C ZINC000047219081 362202035 /nfs/dbraw/zinc/20/20/35/362202035.db2.gz MFSFSOLZYIOTCD-LLVKDONJSA-N 0 3 250.342 2.149 40 0 CEABHN CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000108536197 186222626 /nfs/dbraw/zinc/22/26/26/186222626.db2.gz FQJZGXQTMMNVHU-DOTOQJQBSA-N 0 3 287.407 2.162 40 0 CEABHN CC(=O)Nc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000074921032 363418712 /nfs/dbraw/zinc/41/87/12/363418712.db2.gz SFHGFPZRVWQQQA-UHFFFAOYSA-N 0 3 289.379 2.315 40 0 CEABHN CCN1C(=O)O[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000196702964 540171469 /nfs/dbraw/zinc/17/14/69/540171469.db2.gz IUJRDSQLIGVYHT-INIZCTEOSA-N 0 3 288.347 2.020 40 0 CEABHN CCN1C(=O)O[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000196702979 538772699 /nfs/dbraw/zinc/77/26/99/538772699.db2.gz IUJRDSQLIGVYHT-MRXNPFEDSA-N 0 3 288.347 2.020 40 0 CEABHN CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CN ZINC000079420841 363598439 /nfs/dbraw/zinc/59/84/39/363598439.db2.gz LYTBHYIIJUVMOF-UHFFFAOYSA-N 0 3 260.259 2.013 40 0 CEABHN CN(C)CCNC(=O)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000001300081 361199694 /nfs/dbraw/zinc/19/96/94/361199694.db2.gz AOKQKQPZZCHWOT-KKNUOHPOSA-N 0 3 264.413 2.271 40 0 CEABHN CCCCC(CCN(C)C)(C(=O)OCC)C(=O)OCC ZINC000001760296 361222379 /nfs/dbraw/zinc/22/23/79/361222379.db2.gz AULBFGCILFKTCU-UHFFFAOYSA-N 0 3 287.400 2.241 40 0 CEABHN O[C@@H](COc1ccccc1Cl)CN1CCCC1 ZINC000002699700 361244748 /nfs/dbraw/zinc/24/47/48/361244748.db2.gz YQRCLZCHNCXIGR-LLVKDONJSA-N 0 3 255.745 2.176 40 0 CEABHN CCO[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096158734 364403460 /nfs/dbraw/zinc/40/34/60/364403460.db2.gz OOSJMYMMTVKFFV-HNNXBMFYSA-N 0 3 276.380 2.242 40 0 CEABHN CC(C)CN1CC2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096202816 364411441 /nfs/dbraw/zinc/41/14/41/364411441.db2.gz YGNMIAHRFGWKAV-UHFFFAOYSA-N 0 3 276.380 2.360 40 0 CEABHN CO[C@H]1COC2(C1)CCN(Cc1scnc1C)CC2 ZINC000096206326 364411482 /nfs/dbraw/zinc/41/14/82/364411482.db2.gz PKMBGXREVZVQFQ-GFCCVEGCSA-N 0 3 282.409 2.221 40 0 CEABHN Cc1ccc(CN2CC[C@@]3(C[C@@H]3C(=O)NCC3CC3)C2)o1 ZINC000096228635 364414715 /nfs/dbraw/zinc/41/47/15/364414715.db2.gz IIXRSHWVXRQTTH-NVXWUHKLSA-N 0 3 288.391 2.326 40 0 CEABHN O=C1C[C@]2(CCN(Cc3ccco3)C2)CN1c1ccccn1 ZINC000096239153 364417175 /nfs/dbraw/zinc/41/71/75/364417175.db2.gz OWOXVTQZNHAIBM-KRWDZBQOSA-N 0 3 297.358 2.304 40 0 CEABHN CC(C)NC(=O)C[C@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12 ZINC000101910972 364578049 /nfs/dbraw/zinc/57/80/49/364578049.db2.gz MDGKLETYYBUKDP-BTTYYORXSA-N 0 3 278.421 2.341 40 0 CEABHN c1ccc(N2CCC[C@]3(CCN([C@H]4CCOC4)C3)C2)nc1 ZINC000107224775 364709159 /nfs/dbraw/zinc/70/91/59/364709159.db2.gz XHXQCHGEJUTSKP-DOTOQJQBSA-N 0 3 287.407 2.163 40 0 CEABHN CN1CC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101745 367177467 /nfs/dbraw/zinc/17/74/67/367177467.db2.gz DHIGYMMVLQXNMP-QGZVFWFLSA-N 0 3 272.392 2.316 40 0 CEABHN c1ncc(CN2CCNC[C@@H]2c2ccccc2)s1 ZINC000165445249 367308569 /nfs/dbraw/zinc/30/85/69/367308569.db2.gz HVJXPXJOGDFQNT-CQSZACIVSA-N 0 3 259.378 2.290 40 0 CEABHN CC(C)[C@H](N)c1nnc2ccc(-c3ccccc3)nn21 ZINC000217564347 370198545 /nfs/dbraw/zinc/19/85/45/370198545.db2.gz HTJBMJZCQHHDLN-AWEZNQCLSA-N 0 3 267.336 2.447 40 0 CEABHN COCCNCc1cccn1-c1ccccc1OC ZINC000223688063 370270063 /nfs/dbraw/zinc/27/00/63/370270063.db2.gz IWSKPUCYGVXIIH-UHFFFAOYSA-N 0 3 260.337 2.222 40 0 CEABHN CC(C)(C)OC(=O)Nc1cc2c(cc1CN)OCCO2 ZINC000228964441 370416300 /nfs/dbraw/zinc/41/63/00/370416300.db2.gz SPVAHOXAFOOBOH-UHFFFAOYSA-N 0 3 280.324 2.264 40 0 CEABHN CC(C)(C)OC(=O)NCCCc1cnccc1N ZINC000228942415 370416384 /nfs/dbraw/zinc/41/63/84/370416384.db2.gz YSWDOZSLMMFCDQ-UHFFFAOYSA-N 0 3 251.330 2.121 40 0 CEABHN COc1ccc(CN2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 ZINC000257207605 190011596 /nfs/dbraw/zinc/01/15/96/190011596.db2.gz BILRSTUMDONCNA-IRXDYDNUSA-N 0 3 291.391 2.465 40 0 CEABHN O[C@H]1CCCC[C@@H]1N1CCC(O)(c2ccccc2F)CC1 ZINC000257213684 190013052 /nfs/dbraw/zinc/01/30/52/190013052.db2.gz CIQPYJJYXVEWKF-HOTGVXAUSA-N 0 3 293.382 2.413 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3ccn(C)n3)C2)c1 ZINC000257333508 190035275 /nfs/dbraw/zinc/03/52/75/190035275.db2.gz YBVXOPFHYGEFQW-CYBMUJFWSA-N 0 3 285.395 2.155 40 0 CEABHN Cc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)o1 ZINC000096249535 256834406 /nfs/dbraw/zinc/83/44/06/256834406.db2.gz UCDXQSWTHRXNLD-DOTOQJQBSA-N 0 3 290.407 2.273 40 0 CEABHN COC(=O)[C@H]1CN(C)C[C@H]1c1ccc(Cl)cc1 ZINC000252516686 394572016 /nfs/dbraw/zinc/57/20/16/394572016.db2.gz VXRLOWUNYIQIGZ-RYUDHWBXSA-N 0 3 253.729 2.158 40 0 CEABHN O=C1[C@@H]2CN(Cc3cccnc3)C[C@H]2CN1c1ccccc1 ZINC000253615448 394578441 /nfs/dbraw/zinc/57/84/41/394578441.db2.gz OGHHDTIIPQZBSA-DOTOQJQBSA-N 0 3 293.370 2.176 40 0 CEABHN Cc1cc(N2CCOCC2)ncc1[C@H](N)c1ccccc1 ZINC000072223559 394594401 /nfs/dbraw/zinc/59/44/01/394594401.db2.gz XMGCFVPDYQBGNI-QGZVFWFLSA-N 0 3 283.375 2.275 40 0 CEABHN CCOC(=O)[C@@H](CN)[C@@](C)(CC)Nc1ccccc1 ZINC000072210425 394592069 /nfs/dbraw/zinc/59/20/69/394592069.db2.gz CSLWMWGDLMDQTK-UKRRQHHQSA-N 0 3 264.369 2.405 40 0 CEABHN CC(C)N1CCC[C@@H]1c1cncc(-c2cc[nH]n2)n1 ZINC000257283229 394595439 /nfs/dbraw/zinc/59/54/39/394595439.db2.gz OXIPUSVYXFTSKQ-CQSZACIVSA-N 0 3 257.341 2.412 40 0 CEABHN C[C@H](CN1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000005560091 170113676 /nfs/dbraw/zinc/11/36/76/170113676.db2.gz QFESKPKJLWCPHZ-GFCCVEGCSA-N 0 3 272.348 2.157 40 0 CEABHN CCCCCCOc1ccc(C(=O)NCC[NH3+])c([O-])c1 ZINC000005614776 170120030 /nfs/dbraw/zinc/12/00/30/170120030.db2.gz DXQBJPCHKMJATQ-UHFFFAOYSA-N 0 3 280.368 2.040 40 0 CEABHN COC(=O)c1ccc(-c2ccc(CNC[C@H](C)O)o2)cc1 ZINC000007538952 170290196 /nfs/dbraw/zinc/29/01/96/170290196.db2.gz SIGDONFLROUBLS-NSHDSACASA-N 0 3 289.331 2.204 40 0 CEABHN N[C@H](Cc1nc(-c2cccnc2)no1)c1ccccc1 ZINC000022152601 171359395 /nfs/dbraw/zinc/35/93/95/171359395.db2.gz FEDNYQGYGUVUNU-CYBMUJFWSA-N 0 3 266.304 2.374 40 0 CEABHN COc1ccc(OC)c([C@H](CN)N2CCC[C@@H](C)C2)c1 ZINC000022218433 171376710 /nfs/dbraw/zinc/37/67/10/171376710.db2.gz AXSOXHXUGNIETM-DOMZBBRYSA-N 0 3 278.396 2.436 40 0 CEABHN CC(=O)N1CCC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000072380833 176387073 /nfs/dbraw/zinc/38/70/73/176387073.db2.gz CGHREMITJPEKCN-CYBMUJFWSA-N 0 3 261.369 2.182 40 0 CEABHN CC(C)(C)OC(=O)N1CCN(c2ccncc2)CC1 ZINC000089228997 277188835 /nfs/dbraw/zinc/18/88/35/277188835.db2.gz ZSTAKXXHQUNHGA-UHFFFAOYSA-N 0 3 263.341 2.139 40 0 CEABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1CCCC1)C2 ZINC000225493828 281137032 /nfs/dbraw/zinc/13/70/32/281137032.db2.gz LKSPLZWRCDOJTI-INIZCTEOSA-N 0 3 289.423 2.335 40 0 biogenic,in-vitro CEABHN COc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1 ZINC000095533748 185005668 /nfs/dbraw/zinc/00/56/68/185005668.db2.gz JZXFTPHKOHSIFI-CYBMUJFWSA-N 0 3 260.341 2.060 40 0 CEABHN COc1cccc([C@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)c1 ZINC000095533532 185005760 /nfs/dbraw/zinc/00/57/60/185005760.db2.gz NVNHIOCRCTYVQR-AWEZNQCLSA-N 0 3 296.330 2.234 40 0 CEABHN Cc1ccc(CC(=O)NCCN2CCCCC2)cc1C ZINC000026114470 343388714 /nfs/dbraw/zinc/38/87/14/343388714.db2.gz YNXXEFVJIWWMEY-UHFFFAOYSA-N 0 3 274.408 2.448 40 0 CEABHN NCc1cn(Cc2ccc(Cl)c(Cl)c2)nn1 ZINC000050224505 362410701 /nfs/dbraw/zinc/41/07/01/362410701.db2.gz GLDITQZSLOMQDO-UHFFFAOYSA-N 0 3 257.124 2.092 40 0 CEABHN Cn1c(N)ncc1-c1ccc(Br)cc1 ZINC000000873778 361194506 /nfs/dbraw/zinc/19/45/06/361194506.db2.gz LWXZQJQVVDYSRU-UHFFFAOYSA-N 0 3 252.115 2.432 40 0 CEABHN Cc1ccc(-c2nc(C)cc(N3CCNCC3)n2)cc1 ZINC000006836985 361338808 /nfs/dbraw/zinc/33/88/08/361338808.db2.gz ZVVKRBYRLXAJPH-UHFFFAOYSA-N 0 3 268.364 2.170 40 0 CEABHN CN(C)CCNC(=O)CSCc1cccc(Cl)c1 ZINC000013676582 361436044 /nfs/dbraw/zinc/43/60/44/361436044.db2.gz RDRMSNVLZYFXNX-UHFFFAOYSA-N 0 3 286.828 2.251 40 0 CEABHN CCc1noc(C)c1C(=O)NCCN1CCCC[C@@H]1C ZINC000019521283 361541864 /nfs/dbraw/zinc/54/18/64/361541864.db2.gz CDFYQTWBDYSUHU-NSHDSACASA-N 0 3 279.384 2.150 40 0 CEABHN CCc1noc(C)c1C(=O)NCCN1CCCC[C@H]1C ZINC000019521284 361542018 /nfs/dbraw/zinc/54/20/18/361542018.db2.gz CDFYQTWBDYSUHU-LLVKDONJSA-N 0 3 279.384 2.150 40 0 CEABHN COC(=O)[C@@H](c1ccccc1)[C@@]1(O)C[C@@H](C)N(C)C[C@@H]1C ZINC000013122901 291284872 /nfs/dbraw/zinc/28/48/72/291284872.db2.gz XGFOAXWEGYBKCA-TZDHZFECSA-N 0 3 291.391 2.034 40 0 CEABHN CN(C)CCNc1cc(N2CCc3ccccc3C2)ncn1 ZINC000240718451 370779765 /nfs/dbraw/zinc/77/97/65/370779765.db2.gz AOIYDGRFBMOPRY-UHFFFAOYSA-N 0 3 297.406 2.013 40 0 CEABHN CCO[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096158733 364402440 /nfs/dbraw/zinc/40/24/40/364402440.db2.gz OOSJMYMMTVKFFV-OAHLLOKOSA-N 0 3 276.380 2.242 40 0 CEABHN CN(C)Cc1cnc2n1CCN(Cc1ccccc1)CC2 ZINC000096196782 364408840 /nfs/dbraw/zinc/40/88/40/364408840.db2.gz SLRBEJREWZWKGP-UHFFFAOYSA-N 0 3 284.407 2.003 40 0 CEABHN c1nc2n(c1CNc1ccccn1)CCN(CC1CC1)CC2 ZINC000096197120 364409358 /nfs/dbraw/zinc/40/93/58/364409358.db2.gz WPQQDAVTKDLJPS-UHFFFAOYSA-N 0 3 297.406 2.158 40 0 CEABHN Cc1cccc(CN2CCC3(C[C@H]3C(=O)N(C)C)CC2)n1 ZINC000096227797 364415199 /nfs/dbraw/zinc/41/51/99/364415199.db2.gz VLLWNQYLGUCFOP-HNNXBMFYSA-N 0 3 287.407 2.080 40 0 CEABHN CN1CC[C@@]2(C1)c1ccccc1N(CC1CC1)C2=O ZINC000096244835 364417058 /nfs/dbraw/zinc/41/70/58/364417058.db2.gz FFJBFTAHQQYHIP-MRXNPFEDSA-N 0 3 256.349 2.017 40 0 CEABHN CCOC[C@H]1CCN(C)C2(CN(Cc3cccnc3)C2)C1 ZINC000248099185 371160510 /nfs/dbraw/zinc/16/05/10/371160510.db2.gz DKLDJTHCQFWKDO-HNNXBMFYSA-N 0 3 289.423 2.014 40 0 CEABHN CN1Cc2cccn2[C@@H](CCOc2ccccn2)C1 ZINC000248159645 371164689 /nfs/dbraw/zinc/16/46/89/371164689.db2.gz WYVVNRAAHVKLNQ-AWEZNQCLSA-N 0 3 257.337 2.339 40 0 CEABHN CCCn1cc(CN2CCNC[C@H]2c2ccccc2)cn1 ZINC000257203534 190011274 /nfs/dbraw/zinc/01/12/74/190011274.db2.gz AQMMZZGBANNVNY-KRWDZBQOSA-N 0 3 284.407 2.440 40 0 CEABHN Cc1cn(C)c([C@H]2CCN(Cc3scnc3C)C2)n1 ZINC000257273529 190024425 /nfs/dbraw/zinc/02/44/25/190024425.db2.gz NGZGKIRIMXBYGV-LBPRGKRZSA-N 0 3 276.409 2.483 40 0 CEABHN Cc1cc(-c2cc(C)nc(CC3CCN(C)CC3)n2)n[nH]1 ZINC000257294304 190028117 /nfs/dbraw/zinc/02/81/17/190028117.db2.gz QTMDTYAJRSVPAP-UHFFFAOYSA-N 0 3 285.395 2.368 40 0 CEABHN Cc1ncc(-c2cc(C)nc([C@H]3CCCN(C)C3)n2)n1C ZINC000257295684 190028292 /nfs/dbraw/zinc/02/82/92/190028292.db2.gz QZLCODUGTMTZHK-ZDUSSCGKSA-N 0 3 285.395 2.303 40 0 CEABHN O=C1CCCN1C1CCN(Cc2ccccc2)CC1 ZINC000040448680 284787521 /nfs/dbraw/zinc/78/75/21/284787521.db2.gz FCDFVQWVYYQEFO-UHFFFAOYSA-N 0 3 258.365 2.273 40 0 CEABHN O=C1N[C@H]2c3c(Cl)sc(Cl)c3C(=O)C2O1 ZINC000032069424 296397728 /nfs/dbraw/zinc/39/77/28/296397728.db2.gz BYWUOXFHZWXCQT-WVZVXSGGSA-N 0 3 264.089 2.401 40 0 CEABHN O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1c1cccnc1 ZINC000096239106 256829746 /nfs/dbraw/zinc/82/97/46/256829746.db2.gz NEXDJRZXDKLQQD-QGZVFWFLSA-N 0 3 297.358 2.304 40 0 CEABHN CCOC(=O)[C@H]([C@H](C)N1CCCCC1)N1CCCCC1 ZINC000019366260 394468710 /nfs/dbraw/zinc/46/87/10/394468710.db2.gz IRUSQNAIDMLKBQ-GJZGRUSLSA-N 0 3 282.428 2.278 40 0 CEABHN CCSc1ncc(CNCCN(CC)CC)cn1 ZINC000062718348 394571065 /nfs/dbraw/zinc/57/10/65/394571065.db2.gz DOWJYFNLFCEKEU-UHFFFAOYSA-N 0 3 268.430 2.020 40 0 CEABHN CCOc1ccccc1[C@H](CN)N1C[C@H](C)O[C@@H](C)C1 ZINC000022169660 171367058 /nfs/dbraw/zinc/36/70/58/171367058.db2.gz KUHBBCHKJVKJPO-YDHLFZDLSA-N 0 3 278.396 2.194 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000037233457 173052110 /nfs/dbraw/zinc/05/21/10/173052110.db2.gz AOEFDDJIKRFNLE-RBZYPMLTSA-N 0 3 270.323 2.074 40 0 CEABHN CN(C)C[C@H]1CCc2c3ccccc3n(C)c2C1=O ZINC000002022222 273801157 /nfs/dbraw/zinc/80/11/57/273801157.db2.gz KVCJCBRUPJFTTJ-LLVKDONJSA-N 0 3 256.349 2.485 40 0 CEABHN Cc1ccc(-c2cn3c4c(n(C)c3n2)CCNC4)cc1 ZINC000306126863 278768226 /nfs/dbraw/zinc/76/82/26/278768226.db2.gz FHGPBATXUSEWLE-UHFFFAOYSA-N 0 3 266.348 2.294 40 0 CEABHN COCCN1CCC2(C[C@H](Oc3ccccc3)CO2)CC1 ZINC000096048148 185072462 /nfs/dbraw/zinc/07/24/62/185072462.db2.gz HHEFWCWIKDSFPA-INIZCTEOSA-N 0 3 291.391 2.335 40 0 CEABHN COc1ccc2ccccc2c1[C@@H](CN)N1CCOCC1 ZINC000033442884 361780238 /nfs/dbraw/zinc/78/02/38/361780238.db2.gz ZKTNTRRXTPDEHJ-OAHLLOKOSA-N 0 3 286.375 2.180 40 0 CEABHN CC[C@@H]1N(Cc2cccnc2)CCC[C@]12CCC(=O)N2C ZINC000096052421 185074211 /nfs/dbraw/zinc/07/42/11/185074211.db2.gz SUJYFDCOHZRITD-RDJZCZTQSA-N 0 3 287.407 2.447 40 0 CEABHN c1ccc(OC[C@@H]2C[C@H]3OCCN(CC4CC4)[C@@H]3C2)nc1 ZINC000096055493 185076216 /nfs/dbraw/zinc/07/62/16/185076216.db2.gz NMVZUPDNUAFYQR-ARFHVFGLSA-N 0 3 288.391 2.350 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096056728 185077656 /nfs/dbraw/zinc/07/76/56/185077656.db2.gz HVXOOPYFHMJWMJ-HZPDHXFCSA-N 0 3 276.380 2.099 40 0 CEABHN Cc1cc(CN[C@@H]2CCc3[nH]c(=O)ccc3C2)oc1C ZINC000096067551 185085042 /nfs/dbraw/zinc/08/50/42/185085042.db2.gz VOGYYKDYRSHRFO-CYBMUJFWSA-N 0 3 272.348 2.232 40 0 CEABHN COc1cccc([C@@H](CN)N2CCC[C@H](C)C2)c1OC ZINC000108349968 344264923 /nfs/dbraw/zinc/26/49/23/344264923.db2.gz IBVVTNVBRHXFIS-GXTWGEPZSA-N 0 3 278.396 2.436 40 0 CEABHN CC(C)N1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000585104990 345005874 /nfs/dbraw/zinc/00/58/74/345005874.db2.gz NFUFZHCZGBCRJC-AWEZNQCLSA-N 0 3 285.453 2.398 40 0 CEABHN CC(C)N1CC2(C1)C[C@@H](COc1ccccn1)CCN2C ZINC000585103528 345006010 /nfs/dbraw/zinc/00/60/10/345006010.db2.gz XNNLQRPGXNGQML-HNNXBMFYSA-N 0 3 289.423 2.265 40 0 CEABHN Cc1ccc(CN2CC[C@]3(C[C@H]3C(=O)NCC3CC3)C2)o1 ZINC000107235828 186163102 /nfs/dbraw/zinc/16/31/02/186163102.db2.gz IIXRSHWVXRQTTH-RDJZCZTQSA-N 0 3 288.391 2.326 40 0 CEABHN Cc1ccc(CN2CCC3(CCC(=O)NC3)CC2)o1 ZINC000108526117 186221161 /nfs/dbraw/zinc/22/11/61/186221161.db2.gz ARDWDQYMBBQTFO-UHFFFAOYSA-N 0 3 262.353 2.080 40 0 CEABHN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CN ZINC000071606336 363111155 /nfs/dbraw/zinc/11/11/55/363111155.db2.gz VHKNZTWMVNWAOC-ZDUSSCGKSA-N 0 3 262.353 2.480 40 0 CEABHN c1cc(CN2CCCCCCC2)nc(N2CCOCC2)n1 ZINC000072397384 363133200 /nfs/dbraw/zinc/13/32/00/363133200.db2.gz DQIMCOWSJWDXDT-UHFFFAOYSA-N 0 3 290.411 2.079 40 0 CEABHN CCOc1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000082326028 363765556 /nfs/dbraw/zinc/76/55/56/363765556.db2.gz XDEIKPCOHKPNLE-LBPRGKRZSA-N 0 3 262.353 2.366 40 0 CEABHN COc1cc(OC)cc([C@@H](CN)N2CCC(C)CC2)c1 ZINC000019840853 361561256 /nfs/dbraw/zinc/56/12/56/361561256.db2.gz HGVJAWYAYJJGDN-MRXNPFEDSA-N 0 3 278.396 2.436 40 0 CEABHN c1coc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)c1 ZINC000096057099 364399609 /nfs/dbraw/zinc/39/96/09/364399609.db2.gz ZELOTAUDEHCJAO-UAGQMJEPSA-N 0 3 290.407 2.355 40 0 CEABHN COC[C@H]1CC2(CO1)CCN(Cc1ccccn1)CC2 ZINC000096206251 364410727 /nfs/dbraw/zinc/41/07/27/364410727.db2.gz XVCXNZXVWNTXJB-OAHLLOKOSA-N 0 3 276.380 2.099 40 0 CEABHN CO[C@@H]1CCN(Cc2sccc2C)[C@H]2CCO[C@@H]21 ZINC000096219170 364412575 /nfs/dbraw/zinc/41/25/75/364412575.db2.gz SGEOJLCHKQWUOB-SCRDCRAPSA-N 0 3 267.394 2.435 40 0 CEABHN CN1CC[C@@]2(C1)CCC[C@H](CNc1ccccn1)O2 ZINC000096216918 364413112 /nfs/dbraw/zinc/41/31/12/364413112.db2.gz MKYVTTSWJAHNSI-UKRRQHHQSA-N 0 3 261.369 2.137 40 0 CEABHN CC(=O)N[C@H]1c2cccc(F)c2[C@H]2CN(C(C)C)C[C@@H]12 ZINC000096261713 364418139 /nfs/dbraw/zinc/41/81/39/364418139.db2.gz HWYOERBWYGVHTG-ZENOOKHLSA-N 0 3 276.355 2.440 40 0 CEABHN NCc1cn(Cc2ccc(C(F)(F)F)cc2)cn1 ZINC000098213992 364538225 /nfs/dbraw/zinc/53/82/25/364538225.db2.gz SCJLPTGEGILOLY-UHFFFAOYSA-N 0 3 255.243 2.409 40 0 CEABHN COc1ccc([C@H]2CN(C3CCOCC3)CCN2C)cc1 ZINC000257282443 371611233 /nfs/dbraw/zinc/61/12/33/371611233.db2.gz OTUGADXVVWEWDK-QGZVFWFLSA-N 0 3 290.407 2.163 40 0 CEABHN Cc1ccc(CN2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257213542 190012855 /nfs/dbraw/zinc/01/28/55/190012855.db2.gz CIAFGVNFKDSCEN-HOTGVXAUSA-N 0 3 261.365 2.111 40 0 CEABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cncs1)C2 ZINC000257236823 190017592 /nfs/dbraw/zinc/01/75/92/190017592.db2.gz HDXUXXUWVXJKFL-DNVSUFBTSA-N 0 3 291.420 2.230 40 0 CEABHN CN(C)Cc1cncc([C@H]2CCCN2CC2CC2)n1 ZINC000257262425 190022689 /nfs/dbraw/zinc/02/26/89/190022689.db2.gz LLIRCDJYKSUIDU-OAHLLOKOSA-N 0 3 260.385 2.085 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3c[nH]cn3)C2)c1 ZINC000257274131 190024957 /nfs/dbraw/zinc/02/49/57/190024957.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 0 3 271.368 2.144 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3cnc[nH]3)C2)c1 ZINC000257274131 190024958 /nfs/dbraw/zinc/02/49/58/190024958.db2.gz NJRLTDPFJWPQDG-LBPRGKRZSA-N 0 3 271.368 2.144 40 0 CEABHN COc1ccc2c(c1)CCN1[C@H]3CCCN3CC[C@@H]21 ZINC000019326986 394468661 /nfs/dbraw/zinc/46/86/61/394468661.db2.gz XDZYAXIEADIXLB-HOTGVXAUSA-N 0 3 258.365 2.420 40 0 CEABHN CC(C)(C)c1ccc(C(=O)N2CCCNCC2)cc1 ZINC000019679959 394469776 /nfs/dbraw/zinc/46/97/76/394469776.db2.gz RPICGZAXAQQCMZ-UHFFFAOYSA-N 0 3 260.381 2.420 40 0 CEABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCN(C)CC1 ZINC000072222569 394594506 /nfs/dbraw/zinc/59/45/06/394594506.db2.gz QZVCYHDBQDTCEV-QGZVFWFLSA-N 0 3 296.418 2.190 40 0 CEABHN CC(C)N1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257240437 394595546 /nfs/dbraw/zinc/59/55/46/394595546.db2.gz HTMURXPWLKNAQA-GFCCVEGCSA-N 0 3 271.368 2.455 40 0 CEABHN Fc1cccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)c1 ZINC000096530155 394698142 /nfs/dbraw/zinc/69/81/42/394698142.db2.gz AFXNEQDSMGCXHQ-ZDUSSCGKSA-N 0 3 283.310 2.355 40 0 CEABHN COc1ccc(CCC(=O)NC2CCN(C)CC2)cc1C ZINC000223672486 400311170 /nfs/dbraw/zinc/31/11/70/400311170.db2.gz GEDAXAOSOQZNJA-UHFFFAOYSA-N 0 3 290.407 2.147 40 0 CEABHN CCOC[C@@H]1CCC[C@@]12CN(CC1CC1)CCO2 ZINC000096051877 286151421 /nfs/dbraw/zinc/15/14/21/286151421.db2.gz ZIRZDEJMXNBWGB-LSDHHAIUSA-N 0 3 253.386 2.304 40 0 CEABHN Fc1ccc(NC(=S)NCCN2CCCC2)cc1 ZINC000006512459 170208665 /nfs/dbraw/zinc/20/86/65/170208665.db2.gz ZSEWMHSXUCFJKQ-UHFFFAOYSA-N 0 3 267.373 2.208 40 0 CEABHN COc1ccc([C@H](CN)N2CCC[C@@H](C)C2)c(OC)c1 ZINC000022215178 171375464 /nfs/dbraw/zinc/37/54/64/171375464.db2.gz SBZBRJHTMRUIII-DOMZBBRYSA-N 0 3 278.396 2.436 40 0 CEABHN Cn1cccc1CN1CCC[C@@H](c2cnccn2)C1 ZINC000072369367 176384067 /nfs/dbraw/zinc/38/40/67/176384067.db2.gz VIIYNUBXSVLGGR-CYBMUJFWSA-N 0 3 256.353 2.195 40 0 CEABHN Cc1cc(Nc2cccc([C@@H]3CCCN3CCO)n2)no1 ZINC000072383039 176388444 /nfs/dbraw/zinc/38/84/44/176388444.db2.gz ZUYKMGCTTZYUQL-ZDUSSCGKSA-N 0 3 288.351 2.251 40 0 CEABHN CCCNc1ncc(CNCCCOC(C)C)cn1 ZINC000062717718 262302493 /nfs/dbraw/zinc/30/24/93/262302493.db2.gz DZWYTMFIDFJNLA-UHFFFAOYSA-N 0 3 266.389 2.203 40 0 CEABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096056804 185077234 /nfs/dbraw/zinc/07/72/34/185077234.db2.gz BSKDQECSJKCUNS-IAGOWNOFSA-N 0 3 290.407 2.489 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000096056730 185078184 /nfs/dbraw/zinc/07/81/84/185078184.db2.gz HVXOOPYFHMJWMJ-JKSUJKDBSA-N 0 3 276.380 2.099 40 0 CEABHN c1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc1 ZINC000096083014 185093237 /nfs/dbraw/zinc/09/32/37/185093237.db2.gz AEHQUODIIJBNPO-ZWKOTPCHSA-N 0 3 294.402 2.325 40 0 CEABHN CC(C)N1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000307369443 344721955 /nfs/dbraw/zinc/72/19/55/344721955.db2.gz QYRHPZBDSVGXKW-AWEZNQCLSA-N 0 3 262.353 2.396 40 0 CEABHN Cc1n[nH]c(C)c1CN1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278790 345009788 /nfs/dbraw/zinc/00/97/88/345009788.db2.gz GHKMUWRCSTYQFK-AEFFLSMTSA-N 0 3 299.418 2.452 40 0 CEABHN Cc1ccc(CN2CC[C@@]3(C[C@H]3C(=O)NCC3CC3)C2)o1 ZINC000107235834 186163922 /nfs/dbraw/zinc/16/39/22/186163922.db2.gz IIXRSHWVXRQTTH-DOTOQJQBSA-N 0 3 288.391 2.326 40 0 CEABHN CN1CCC(C(=O)NCc2ccccc2Cl)CC1 ZINC000074707326 363373889 /nfs/dbraw/zinc/37/38/89/363373889.db2.gz UTMFYCMCNAIEHC-UHFFFAOYSA-N 0 3 266.772 2.298 40 0 CEABHN COc1ccc(NC(=O)CC2CCN(C)CC2)cc1OC ZINC000074921024 363419031 /nfs/dbraw/zinc/41/90/31/363419031.db2.gz JLFXNGIYYUYHDR-UHFFFAOYSA-N 0 3 292.379 2.374 40 0 CEABHN COc1ccc([C@@H](O)[C@H](NCCO)c2ccccc2)cc1 ZINC000001594035 538736808 /nfs/dbraw/zinc/73/68/08/538736808.db2.gz TZIFCSOXBAJUGV-IAGOWNOFSA-N 0 3 287.359 2.052 40 0 CEABHN CCOC(=O)C(CN)(c1ccccc1)c1ccccc1 ZINC000001593551 538735795 /nfs/dbraw/zinc/73/57/95/538735795.db2.gz XBOGKZWISGRNHD-UHFFFAOYSA-N 0 3 269.344 2.495 40 0 CEABHN OCCN[C@@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000001666273 361214850 /nfs/dbraw/zinc/21/48/50/361214850.db2.gz XZWQYZONYJHSGY-HNNXBMFYSA-N 0 3 285.343 2.281 40 0 CEABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000011789304 361364985 /nfs/dbraw/zinc/36/49/85/361364985.db2.gz HNFWVPHAYZVSIW-ZDUSSCGKSA-N 0 3 273.384 2.140 40 0 CEABHN CCOC(=O)Nc1nc2ccccc2n1CN1CCCC1 ZINC000013212267 361423472 /nfs/dbraw/zinc/42/34/72/361423472.db2.gz OYEFNNGTOUVGTO-UHFFFAOYSA-N 0 3 288.351 2.080 40 0 CEABHN [NH3+][C@@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369295 361528141 /nfs/dbraw/zinc/52/81/41/361528141.db2.gz UBRNPMWDPHURMX-AWEZNQCLSA-N 0 3 269.348 2.280 40 0 CEABHN C(C1CCCCC1)N1CCC[C@@H]1c1nnc2n1CCNC2 ZINC000019705504 361549269 /nfs/dbraw/zinc/54/92/69/361549269.db2.gz ZCCXUVULJFCERL-CQSZACIVSA-N 0 3 289.427 2.099 40 0 CEABHN CCn1cc(NC(=O)C2CN(C3CCCCC3)C2)cn1 ZINC000019747207 361550712 /nfs/dbraw/zinc/55/07/12/361550712.db2.gz KEIWZFUUBKCACE-UHFFFAOYSA-N 0 3 276.384 2.106 40 0 CEABHN c1cc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cs1 ZINC000096053985 364399476 /nfs/dbraw/zinc/39/94/76/364399476.db2.gz NODGTYBVIOHWOS-OKILXGFUSA-N 0 3 286.404 2.106 40 0 CEABHN CN1CCC[C@@]2(CCN(C(=O)Cc3ccccc3)C2)C1 ZINC000096268565 364420264 /nfs/dbraw/zinc/42/02/64/364420264.db2.gz UJMUZCMSWUNXBD-QGZVFWFLSA-N 0 3 272.392 2.173 40 0 CEABHN CCN(CC)CCN[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245229679 370806875 /nfs/dbraw/zinc/80/68/75/370806875.db2.gz CXSVMOSHBAQULZ-RBSFLKMASA-N 0 3 283.460 2.096 40 0 CEABHN CC(C)Oc1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000174575962 368043404 /nfs/dbraw/zinc/04/34/04/368043404.db2.gz CPLURZLSXJUAQJ-UHFFFAOYSA-N 0 3 290.407 2.432 40 0 CEABHN Cn1cc(Cc2cccc(Br)c2)nc1N ZINC000199550811 370149101 /nfs/dbraw/zinc/14/91/01/370149101.db2.gz VEWIADOXTAZWTR-UHFFFAOYSA-N 0 3 266.142 2.356 40 0 CEABHN CC1(c2cc[nH]n2)CCN(Cc2cccnc2)CC1 ZINC000257236765 190017693 /nfs/dbraw/zinc/01/76/93/190017693.db2.gz HDRZWABZYPPKGN-UHFFFAOYSA-N 0 3 256.353 2.358 40 0 CEABHN CC(=O)N1CCC(c2cc(N(C)C)cc(C)n2)CC1 ZINC000257256108 190021324 /nfs/dbraw/zinc/02/13/24/190021324.db2.gz KKDBUZOUWHKZIV-UHFFFAOYSA-N 0 3 261.369 2.182 40 0 CEABHN c1ccc(CN2CCC3(CC(Nc4ccncn4)C3)C2)nc1 ZINC000257258453 190021416 /nfs/dbraw/zinc/02/14/16/190021416.db2.gz KTXWOOPGTWAURI-UHFFFAOYSA-N 0 3 295.390 2.338 40 0 CEABHN CNC(=O)CN1CCC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257301959 190030208 /nfs/dbraw/zinc/03/02/08/190030208.db2.gz SATMQXTYDLJWBH-AWEZNQCLSA-N 0 3 297.402 2.235 40 0 CEABHN Cc1cccc(CN2CC[C@]3(CCN3c3ncccn3)C2)n1 ZINC000096076133 394675354 /nfs/dbraw/zinc/67/53/54/394675354.db2.gz VSMXCCSJYCVVIY-KRWDZBQOSA-N 0 3 295.390 2.035 40 0 CEABHN c1csc(CN2C[C@H]3c4ccccc4CN[C@@H]3C2)n1 ZINC000096157356 394676796 /nfs/dbraw/zinc/67/67/96/394676796.db2.gz RNEJGRIHIMJAEU-UONOGXRCSA-N 0 3 271.389 2.214 40 0 CEABHN c1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1 ZINC000096530147 394698503 /nfs/dbraw/zinc/69/85/03/394698503.db2.gz YHVURRGQNGVPRT-ZDUSSCGKSA-N 0 3 265.320 2.216 40 0 CEABHN COc1ccc(C[C@H](N)C(=O)Nc2ccccc2)cc1 ZINC000006411250 170199014 /nfs/dbraw/zinc/19/90/14/170199014.db2.gz SSYPBMLUAFBZQI-HNNXBMFYSA-N 0 3 270.332 2.204 40 0 CEABHN COc1cccc(C=O)c1OCCCN1CCCC1 ZINC000008731481 170351092 /nfs/dbraw/zinc/35/10/92/170351092.db2.gz DFLATNFXHIJYNT-UHFFFAOYSA-N 0 3 263.337 2.372 40 0 CEABHN C[C@H]1CN([C@@H](CN)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000037233459 173052508 /nfs/dbraw/zinc/05/25/08/173052508.db2.gz AOEFDDJIKRFNLE-BHDSKKPTSA-N 0 3 270.323 2.074 40 0 CEABHN NCc1cn(Cc2ccc(Br)cc2)cn1 ZINC000071598290 176221941 /nfs/dbraw/zinc/22/19/41/176221941.db2.gz ZDAXZDJLSQSGQL-UHFFFAOYSA-N 0 3 266.142 2.153 40 0 CEABHN COCCN1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355536 176374874 /nfs/dbraw/zinc/37/48/74/176374874.db2.gz FEMVDCIXKLACHN-AWEZNQCLSA-N 0 3 286.379 2.093 40 0 CEABHN CN1CCC[C@H](c2ccc(NCC3(C)COC3)cn2)C1 ZINC000072386984 176392618 /nfs/dbraw/zinc/39/26/18/176392618.db2.gz FOWGCEQSLDVALK-ZDUSSCGKSA-N 0 3 275.396 2.339 40 0 CEABHN CN1CCC[C@H]1c1cccc(NCC2(C)COC2)n1 ZINC000072386981 176392979 /nfs/dbraw/zinc/39/29/79/176392979.db2.gz FCSPHGXXPUJFSD-ZDUSSCGKSA-N 0 3 261.369 2.297 40 0 CEABHN CC(C)N(Cc1ccccc1Br)C(=O)CN ZINC000076773331 177087345 /nfs/dbraw/zinc/08/73/45/177087345.db2.gz GTFLAHFWMIXQAW-UHFFFAOYSA-N 0 3 285.185 2.145 40 0 CEABHN CN1CCC(NC(=O)c2cc3ccccc3o2)CC1 ZINC000048608966 277030604 /nfs/dbraw/zinc/03/06/04/277030604.db2.gz FJFJBPLHSMJBNW-UHFFFAOYSA-N 0 3 258.321 2.257 40 0 CEABHN COc1cc2c(cc1OC)C(=O)[C@H](CN(C)C)CC2 ZINC000005677748 277393439 /nfs/dbraw/zinc/39/34/39/277393439.db2.gz JGSXOHUJTPAGBV-NSHDSACASA-N 0 3 263.337 2.011 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1cccc(C)n1)C2 ZINC000096038996 185069108 /nfs/dbraw/zinc/06/91/08/185069108.db2.gz HHSVDHNVSJBKDN-IAGOWNOFSA-N 0 3 290.407 2.408 40 0 CEABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3)CC2)cc1 ZINC000096047454 185072311 /nfs/dbraw/zinc/07/23/11/185072311.db2.gz FOPGNETWZQZDLY-QGZVFWFLSA-N 0 3 288.391 2.330 40 0 CEABHN c1coc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053777 185074821 /nfs/dbraw/zinc/07/48/21/185074821.db2.gz JEGHGWHLFFTGSN-GJZGRUSLSA-N 0 3 283.375 2.238 40 0 CEABHN Fc1cccc(O[C@H]2C[C@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055158 185076752 /nfs/dbraw/zinc/07/67/52/185076752.db2.gz NJDAHRFTRCEKOQ-RDJZCZTQSA-N 0 3 290.382 2.373 40 0 CEABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCOCC1)C1CC1 ZINC000096057899 185079306 /nfs/dbraw/zinc/07/93/06/185079306.db2.gz HANHVUDOZONGRF-GVDBMIGSSA-N 0 3 295.423 2.071 40 0 CEABHN c1c(CN2CCCCC2)nc2n1CCN(CC1CC1)C2 ZINC000096059412 185080144 /nfs/dbraw/zinc/08/01/44/185080144.db2.gz LRCYAGQDNMOFED-UHFFFAOYSA-N 0 3 274.412 2.095 40 0 CEABHN Cn1cc(CN2C[C@H]3CCC[C@@]3(COCC3CC3)C2)cn1 ZINC000096109181 185099163 /nfs/dbraw/zinc/09/91/63/185099163.db2.gz NXBNPQXVENHAAY-SJORKVTESA-N 0 3 289.423 2.449 40 0 CEABHN CCN(Cc1cccc(F)c1)C(=O)[C@@H](N)C(C)C ZINC000037800997 361942691 /nfs/dbraw/zinc/94/26/91/361942691.db2.gz QKQDBBUNFJYNIC-ZDUSSCGKSA-N 0 3 252.333 2.158 40 0 CEABHN CNc1cc([C@H]2CCCN(Cc3ccccn3)C2)ccn1 ZINC000585181503 345009238 /nfs/dbraw/zinc/00/92/38/345009238.db2.gz UBORTOUMFMUNRX-HNNXBMFYSA-N 0 3 282.391 2.320 40 0 CEABHN Cc1n[nH]cc1CN1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585278838 345010067 /nfs/dbraw/zinc/01/00/67/345010067.db2.gz HJDNJVMBIFAZFY-WBVHZDCISA-N 0 3 285.391 2.144 40 0 CEABHN CCN1CCN[C@@H](c2ccc(Br)cc2)C1 ZINC000056894791 362564716 /nfs/dbraw/zinc/56/47/16/362564716.db2.gz XEEGRBYLTRRLJW-GFCCVEGCSA-N 0 3 269.186 2.415 40 0 CEABHN NCc1cc(F)c(OCC2CCOCC2)c(F)c1 ZINC000085652878 179110450 /nfs/dbraw/zinc/11/04/50/179110450.db2.gz AKWSRISCSCBYMR-UHFFFAOYSA-N 0 3 257.280 2.229 40 0 CEABHN CN1CCC(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC000069369822 362962508 /nfs/dbraw/zinc/96/25/08/362962508.db2.gz OQERXXKNRHVYPP-UHFFFAOYSA-N 0 3 266.772 2.093 40 0 CEABHN CCOC(=O)c1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000072793635 363166623 /nfs/dbraw/zinc/16/66/23/363166623.db2.gz SSLRFKGBSBDCRX-UHFFFAOYSA-N 0 3 290.363 2.144 40 0 CEABHN COP(=O)(OC)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000073410448 363216057 /nfs/dbraw/zinc/21/60/57/363216057.db2.gz JWIPRQFWGXJFFN-LBPRGKRZSA-N 0 3 268.253 2.481 40 0 CEABHN NCC(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420243 363598150 /nfs/dbraw/zinc/59/81/50/363598150.db2.gz UHWJQMPEOPJZAI-UHFFFAOYSA-N 0 3 273.163 2.443 40 0 CEABHN C[C@H](N)C(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000079420590 363598759 /nfs/dbraw/zinc/59/87/59/363598759.db2.gz FOBZIWRQIMRLQU-VIFPVBQESA-N 0 3 252.745 2.178 40 0 CEABHN CCN(Cc1ccc(Br)cc1)C(=O)[C@H](C)N ZINC000079420540 363598909 /nfs/dbraw/zinc/59/89/09/363598909.db2.gz UBWGQEJSQMSOPV-VIFPVBQESA-N 0 3 285.185 2.145 40 0 CEABHN CC(C)[C@H](N)C(=O)N([C@H](C)c1nccs1)C1CC1 ZINC000079436418 363600841 /nfs/dbraw/zinc/60/08/41/363600841.db2.gz ZGVLJUGSQIELHW-KOLCDFICSA-N 0 3 267.398 2.178 40 0 CEABHN CN1CCC(O)(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001585539 361210098 /nfs/dbraw/zinc/21/00/98/361210098.db2.gz IDQXKYVBODGUJY-UHFFFAOYSA-N 0 3 297.398 2.379 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000019257474 361522525 /nfs/dbraw/zinc/52/25/25/361522525.db2.gz FRPCNYBXDUFELS-RULNRJAQSA-N 0 3 270.323 2.074 40 0 CEABHN O[C@@H]1CCN(Cc2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096200126 364408251 /nfs/dbraw/zinc/40/82/51/364408251.db2.gz QJGNHSCRXUDRHG-DLBZAZTESA-N 0 3 286.350 2.399 40 0 CEABHN CC(=O)N1CCC[C@]2(CCN(Cc3cccc(C)n3)C2)C1 ZINC000096216305 364413471 /nfs/dbraw/zinc/41/34/71/364413471.db2.gz NKGYHDOIQSNUGZ-QGZVFWFLSA-N 0 3 287.407 2.224 40 0 CEABHN O=C1C[C@]2(CCN(Cc3ccco3)C2)CN1c1cccnc1 ZINC000096239105 364416824 /nfs/dbraw/zinc/41/68/24/364416824.db2.gz NEXDJRZXDKLQQD-KRWDZBQOSA-N 0 3 297.358 2.304 40 0 CEABHN CC(C)N1C[C@@H]2CCN(Cc3ccccc3)C(=O)[C@]2(F)C1 ZINC000096261733 364417844 /nfs/dbraw/zinc/41/78/44/364417844.db2.gz BZJQUFUZGCOTRI-RDJZCZTQSA-N 0 3 290.382 2.467 40 0 CEABHN CCN1C(=O)[C@H](c2ccccc2)CC12CCN(C)CC2 ZINC000096261145 364417885 /nfs/dbraw/zinc/41/78/85/364417885.db2.gz KRJMBPBPINHUKA-HNNXBMFYSA-N 0 3 272.392 2.487 40 0 CEABHN c1coc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)c1 ZINC000107254924 364709484 /nfs/dbraw/zinc/70/94/84/364709484.db2.gz OXKNUNVMFCNJIV-IRXDYDNUSA-N 0 3 290.407 2.355 40 0 CEABHN COCCNCc1cccn1-c1ccc(OC)cc1 ZINC000113704179 364909731 /nfs/dbraw/zinc/90/97/31/364909731.db2.gz GCRFPBHNXVBWGJ-UHFFFAOYSA-N 0 3 260.337 2.222 40 0 CEABHN Cc1ncc(CN2CCC[C@]3(CN(C(C)C)C3=O)C2)s1 ZINC000585099344 367177421 /nfs/dbraw/zinc/17/74/21/367177421.db2.gz GMCPPCJXYPUDSE-OAHLLOKOSA-N 0 3 293.436 2.284 40 0 CEABHN C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)C ZINC000223595251 370268223 /nfs/dbraw/zinc/26/82/23/370268223.db2.gz FTXOXJUNHQZFBX-CYBMUJFWSA-N 0 3 290.407 2.011 40 0 CEABHN COc1ccc2c3c1O[C@@H]1C=CC=C4[C@@H](C2)N(C)CC[C@@]341 ZINC000253505392 371525701 /nfs/dbraw/zinc/52/57/01/371525701.db2.gz UYDXNVYSAYJCMN-DDUZABMNSA-N 0 3 281.355 2.450 40 0 biogenic,in-vitro CEABHN CCCn1cc(CN2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257214043 190012842 /nfs/dbraw/zinc/01/28/42/190012842.db2.gz CKGUYASJBXCIDJ-ZDUSSCGKSA-N 0 3 259.357 2.006 40 0 CEABHN c1ccc(CCN2CCOC[C@H](Cc3ncccn3)C2)cc1 ZINC000257230187 190015897 /nfs/dbraw/zinc/01/58/97/190015897.db2.gz GBFIMVOBWJOLCP-QGZVFWFLSA-N 0 3 297.402 2.210 40 0 CEABHN CO[C@H]1CN(Cc2cncc(C)c2)CC[C@@]12CCCO2 ZINC000257271595 190023749 /nfs/dbraw/zinc/02/37/49/190023749.db2.gz MYYQDJQWMXEYJU-HOTGVXAUSA-N 0 3 276.380 2.160 40 0 CEABHN CNc1cc([C@H]2CCCN(Cc3cncn3C)C2)ccn1 ZINC000257268921 190024025 /nfs/dbraw/zinc/02/40/25/190024025.db2.gz MNUPAMOMPBUFKL-AWEZNQCLSA-N 0 3 285.395 2.236 40 0 CEABHN CNC(=O)c1sc2nc([C@H]3CCCCN3)ccc2c1N ZINC000257309448 190031525 /nfs/dbraw/zinc/03/15/25/190031525.db2.gz UAZPVYVTKONSEA-SECBINFHSA-N 0 3 290.392 2.053 40 0 CEABHN Cn1cccc1CN1CCC(c2ccnc3ccnn32)CC1 ZINC000257289231 190028010 /nfs/dbraw/zinc/02/80/10/190028010.db2.gz PXRCOCJWDSKIKY-UHFFFAOYSA-N 0 3 295.390 2.447 40 0 CEABHN CC(C)n1nc(CNc2nccs2)c2c1CNCC2 ZINC000306135855 376541285 /nfs/dbraw/zinc/54/12/85/376541285.db2.gz PCZXBPKUONCXJC-UHFFFAOYSA-N 0 3 277.397 2.178 40 0 CEABHN CCN1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216214 394593605 /nfs/dbraw/zinc/59/36/05/394593605.db2.gz FGXWEXFSRCNSDW-AWEZNQCLSA-N 0 3 261.369 2.075 40 0 CEABHN CN1C[C@@H]2CN(C3CCCCC3)CCN2C(C)(C)C1 ZINC000253400856 394577796 /nfs/dbraw/zinc/57/77/96/394577796.db2.gz MBIZTNAYXGLTLO-OAHLLOKOSA-N 0 3 265.445 2.029 40 0 biogenic,in-vitro CEABHN Cc1cc(N2CCOCC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223560 394594647 /nfs/dbraw/zinc/59/46/47/394594647.db2.gz XMGCFVPDYQBGNI-KRWDZBQOSA-N 0 3 283.375 2.275 40 0 CEABHN CC(C)(C)Sc1ccc(N2CCNCC2)nc1 ZINC000072225519 394595518 /nfs/dbraw/zinc/59/55/18/394595518.db2.gz LPPIQVTUHZQXNX-UHFFFAOYSA-N 0 3 251.399 2.382 40 0 CEABHN Cc1ccc(C)c(NC(=S)NCCN(C)C)c1 ZINC000007522022 170288372 /nfs/dbraw/zinc/28/83/72/170288372.db2.gz SCOOKPRFNMLIAK-UHFFFAOYSA-N 0 3 251.399 2.151 40 0 CEABHN CCN(CC)[C@@H](CN)c1ccc(OC)cc1OC ZINC000038808905 174156725 /nfs/dbraw/zinc/15/67/25/174156725.db2.gz UYYJVSHOUGFOSX-ZDUSSCGKSA-N 0 3 252.358 2.045 40 0 CEABHN COCCN1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072355537 176374986 /nfs/dbraw/zinc/37/49/86/176374986.db2.gz FEMVDCIXKLACHN-CQSZACIVSA-N 0 3 286.379 2.093 40 0 CEABHN CC(=O)N1CCc2cc([C@H](O)CN3CCCCC3)ccc21 ZINC000062353858 260235667 /nfs/dbraw/zinc/23/56/67/260235667.db2.gz VUMKKYRZWXRFTM-QGZVFWFLSA-N 0 3 288.391 2.115 40 0 CEABHN Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccco4)C[C@H]3O2)n[nH]1 ZINC000096046195 185071909 /nfs/dbraw/zinc/07/19/09/185071909.db2.gz XQSMOLLNMJQKBD-IACUBPJLSA-N 0 3 288.351 2.058 40 0 CEABHN CO[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096048129 185072931 /nfs/dbraw/zinc/07/29/31/185072931.db2.gz VLWKEIQCKFZROM-ZDUSSCGKSA-N 0 3 251.326 2.050 40 0 CEABHN c1coc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096053778 185074999 /nfs/dbraw/zinc/07/49/99/185074999.db2.gz JEGHGWHLFFTGSN-HUUCEWRRSA-N 0 3 283.375 2.238 40 0 CEABHN O[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096061555 185082384 /nfs/dbraw/zinc/08/23/84/185082384.db2.gz GIRNUCOHFXCUFY-JKSUJKDBSA-N 0 3 257.333 2.458 40 0 CEABHN CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(C)C2)c1 ZINC000096629295 185108282 /nfs/dbraw/zinc/10/82/82/185108282.db2.gz ZBDYBEQJLPNGRN-ZDUSSCGKSA-N 0 3 290.363 2.144 40 0 CEABHN NCc1cc(-c2cccc(Br)c2)ncn1 ZINC000096948660 185137347 /nfs/dbraw/zinc/13/73/47/185137347.db2.gz GLZVQFBIISTDOC-UHFFFAOYSA-N 0 3 264.126 2.365 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000037802945 361944365 /nfs/dbraw/zinc/94/43/65/361944365.db2.gz FHMVGIFJHYNCJG-MFKMUULPSA-N 0 3 252.333 2.328 40 0 CEABHN Cc1nc(C)c(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)s1 ZINC000046882139 362188708 /nfs/dbraw/zinc/18/87/08/362188708.db2.gz RKGHATGFEOVQIO-GHMZBOCLSA-N 0 3 295.452 2.468 40 0 CEABHN Cc1nc(NCCCO)cc(N2CCc3ccccc3C2)n1 ZINC000328958530 136377235 /nfs/dbraw/zinc/37/72/35/136377235.db2.gz APUPBCUBWYNYFX-UHFFFAOYSA-N 0 3 298.390 2.142 40 0 CEABHN CC(C)CNC1(Cc2cc(CC(C)C)on2)COC1 ZINC000067898219 362930496 /nfs/dbraw/zinc/93/04/96/362930496.db2.gz JAYBZLCVOZSKAC-UHFFFAOYSA-N 0 3 266.385 2.430 40 0 biogenic,in-vitro CEABHN CC(C)N1CCC(O)(c2ccc3c(c2)OCO3)CC1 ZINC000079026913 363567234 /nfs/dbraw/zinc/56/72/34/363567234.db2.gz GCSYQHQPGKVVPR-UHFFFAOYSA-N 0 3 263.337 2.107 40 0 CEABHN CCN1C[C@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000000519327 361182749 /nfs/dbraw/zinc/18/27/49/361182749.db2.gz ICFQVBLKMFUCBQ-CZUORRHYSA-N 0 3 289.423 2.340 40 0 CEABHN COc1cc(OC)cc([C@H](CN)N2CCC[C@@H](C)C2)c1 ZINC000019840903 361561602 /nfs/dbraw/zinc/56/16/02/361561602.db2.gz MICPJGHFZAGIHR-WBMJQRKESA-N 0 3 278.396 2.436 40 0 CEABHN CCc1noc(C)c1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 ZINC000019521281 361541468 /nfs/dbraw/zinc/54/14/68/361541468.db2.gz NHUFTFRNDTUMSC-RYUDHWBXSA-N 0 3 293.411 2.253 40 0 CEABHN Cn1cc(CN2CCC3(CN(Cc4ccccc4)C3)C2)cn1 ZINC000096202672 364410836 /nfs/dbraw/zinc/41/08/36/364410836.db2.gz POMZRLBVMDVZKP-UHFFFAOYSA-N 0 3 296.418 2.128 40 0 CEABHN CN(C)[C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1ccncc1 ZINC000096201010 364410960 /nfs/dbraw/zinc/41/09/60/364410960.db2.gz WNASOSOBERYDMM-SJORKVTESA-N 0 3 299.418 2.121 40 0 CEABHN O[C@H]1CCN(Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200432 364411151 /nfs/dbraw/zinc/41/11/51/364411151.db2.gz JHKJUWKWRPYCAI-GJZGRUSLSA-N 0 3 274.389 2.321 40 0 CEABHN c1ccc(N2CCC[C@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 ZINC000096216792 364413438 /nfs/dbraw/zinc/41/34/38/364413438.db2.gz XHXQCHGEJUTSKP-NVXWUHKLSA-N 0 3 287.407 2.163 40 0 CEABHN C1=C[C@@H]2C[C@H]1C[C@@H]2CN1CCN(Cc2ccncc2)CC1 ZINC000169793882 367371372 /nfs/dbraw/zinc/37/13/72/367371372.db2.gz PRYFOBKVCOFJMK-RCCFBDPRSA-N 0 3 283.419 2.411 40 0 CEABHN CCn1c(Cl)nc2cc(C(=O)NCCN(C)C)ccc21 ZINC000225987775 370327542 /nfs/dbraw/zinc/32/75/42/370327542.db2.gz DKNJYEXTCFKKKN-UHFFFAOYSA-N 0 3 294.786 2.001 40 0 CEABHN Cn1c(CNC[C@H]2CCCO2)ccc1Cc1ccco1 ZINC000226021385 370327617 /nfs/dbraw/zinc/32/76/17/370327617.db2.gz WAZXBLWXYKLLRW-MRXNPFEDSA-N 0 3 274.364 2.478 40 0 CEABHN CN1CCC[C@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 ZINC000257271770 371610946 /nfs/dbraw/zinc/61/09/46/371610946.db2.gz MZSJKJUMUWFJDB-NSHDSACASA-N 0 3 290.367 2.021 40 0 CEABHN COCCN1CCC(c2cccc(-c3cc[nH]n3)n2)CC1 ZINC000257208950 190012702 /nfs/dbraw/zinc/01/27/02/190012702.db2.gz BOFICRWBNGMTLM-UHFFFAOYSA-N 0 3 286.379 2.298 40 0 CEABHN CCCn1cc(CN2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257214042 190012875 /nfs/dbraw/zinc/01/28/75/190012875.db2.gz CKGUYASJBXCIDJ-CYBMUJFWSA-N 0 3 259.357 2.006 40 0 CEABHN CN(C)Cc1ccnc([C@H]2CCCN2CC2CC2)n1 ZINC000257228676 190016538 /nfs/dbraw/zinc/01/65/38/190016538.db2.gz FUVAHSUXRXKFDR-CQSZACIVSA-N 0 3 260.385 2.085 40 0 CEABHN OCCN1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257264129 190022918 /nfs/dbraw/zinc/02/29/18/190022918.db2.gz LTBAHALKEYOODQ-UHFFFAOYSA-N 0 3 298.390 2.392 40 0 CEABHN Cc1cc(C)nc([N-]c2cncc([C@@H]3CCC[NH2+]C3)n2)n1 ZINC000257329735 190034517 /nfs/dbraw/zinc/03/45/17/190034517.db2.gz XLHSYRGVOKBHAK-GFCCVEGCSA-N 0 3 284.367 2.094 40 0 CEABHN CCN(CC)[C@@H](CN)c1c(OC)cc(OC)cc1OC ZINC000036961674 394495635 /nfs/dbraw/zinc/49/56/35/394495635.db2.gz LQVFRKXKTKPBPZ-LBPRGKRZSA-N 0 3 282.384 2.054 40 0 CEABHN CSc1ncc(CNCCCOC(C)C)cn1 ZINC000062717252 394570669 /nfs/dbraw/zinc/57/06/69/394570669.db2.gz BSEWJTHJINZAAX-UHFFFAOYSA-N 0 3 255.387 2.103 40 0 CEABHN CN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216176 394593577 /nfs/dbraw/zinc/59/35/77/394593577.db2.gz PGFVPJUPXFNDRH-CQSZACIVSA-N 0 3 261.369 2.075 40 0 CEABHN Clc1ccc(-c2nsc(N3CCNCC3)n2)cc1 ZINC000143872622 394973188 /nfs/dbraw/zinc/97/31/88/394973188.db2.gz LOYFASFXSZKNGO-UHFFFAOYSA-N 0 3 280.784 2.268 40 0 CEABHN COC(=O)c1ccc(-c2ccc(CNC[C@@H](C)O)o2)cc1 ZINC000007538958 170290314 /nfs/dbraw/zinc/29/03/14/170290314.db2.gz SIGDONFLROUBLS-LLVKDONJSA-N 0 3 289.331 2.204 40 0 CEABHN COc1cccc([C@@H](CN)N2CCC[C@@H](C)C2)c1OC ZINC000022165035 171365281 /nfs/dbraw/zinc/36/52/81/171365281.db2.gz IBVVTNVBRHXFIS-TZMCWYRMSA-N 0 3 278.396 2.436 40 0 CEABHN CCOc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022166635 171366358 /nfs/dbraw/zinc/36/63/58/171366358.db2.gz KZMZFCSIRMTEJX-ZENOOKHLSA-N 0 3 278.396 2.194 40 0 CEABHN CCOc1ccccc1[C@@H](CN)N1C[C@H](C)O[C@@H](C)C1 ZINC000022169657 171367354 /nfs/dbraw/zinc/36/73/54/171367354.db2.gz KUHBBCHKJVKJPO-KCQAQPDRSA-N 0 3 278.396 2.194 40 0 CEABHN Cc1cc(C)nc(Nc2nccnc2C2CCN(C)CC2)n1 ZINC000072363432 176377879 /nfs/dbraw/zinc/37/78/79/176377879.db2.gz XFSQRPBRUXUBIE-UHFFFAOYSA-N 0 3 298.394 2.436 40 0 CEABHN Cc1cc(NC2CCOCC2)nc([C@H]2CCCN(C)C2)n1 ZINC000072365462 176380397 /nfs/dbraw/zinc/38/03/97/176380397.db2.gz SZONHBDAEGUMNU-ZDUSSCGKSA-N 0 3 290.411 2.185 40 0 CEABHN C[C@@H]1CN2CCC[C@@H]2CN1Cc1coc2ccccc2c1=O ZINC000072397546 176394815 /nfs/dbraw/zinc/39/48/15/176394815.db2.gz AUCJMMXJAUJMQV-UKRRQHHQSA-N 0 3 298.386 2.462 40 0 CEABHN CC(C)(C)OC(=O)N1CCC2(CC1)CNC1(CCC1)CO2 ZINC000306146001 278383324 /nfs/dbraw/zinc/38/33/24/278383324.db2.gz YUYLGCXKUOQTNW-UHFFFAOYSA-N 0 3 296.411 2.299 40 0 CEABHN c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)nc1 ZINC000096041829 185070789 /nfs/dbraw/zinc/07/07/89/185070789.db2.gz AYYQNIQQKXIDSI-GVDBMIGSSA-N 0 3 288.391 2.240 40 0 CEABHN c1cc(CN2CC3(C2)CCN(Cc2ccncc2)C3)co1 ZINC000096046427 185071395 /nfs/dbraw/zinc/07/13/95/185071395.db2.gz QKLASLDRBAJQMO-UHFFFAOYSA-N 0 3 283.375 2.383 40 0 CEABHN CCO[C@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096048106 185072738 /nfs/dbraw/zinc/07/27/38/185072738.db2.gz JPGOAQWCYBOEQZ-OAHLLOKOSA-N 0 3 276.380 2.242 40 0 CEABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2cccc(F)c2)on1 ZINC000019120662 343374091 /nfs/dbraw/zinc/37/40/91/343374091.db2.gz ONIJILMSIMSFRE-CZUORRHYSA-N 0 3 290.338 2.469 40 0 CEABHN Cc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000224155932 344543658 /nfs/dbraw/zinc/54/36/58/344543658.db2.gz CMKDMFWNQQCGKG-OFQRWUPVSA-N 0 3 262.397 2.412 40 0 CEABHN NCc1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000050224497 362411053 /nfs/dbraw/zinc/41/10/53/362411053.db2.gz HWPKJZXPFUYOBC-UHFFFAOYSA-N 0 3 257.124 2.092 40 0 CEABHN Cc1nnc2n1[C@H]1CN(Cc3cccs3)C[C@H]1CC2 ZINC000019288371 282365640 /nfs/dbraw/zinc/36/56/40/282365640.db2.gz PQLQAVDKVYSRTE-YPMHNXCESA-N 0 3 274.393 2.267 40 0 CEABHN N[C@H]1CC(=O)N(C2CCCCC2)[C@H]1c1cccnc1 ZINC000062211080 362714812 /nfs/dbraw/zinc/71/48/12/362714812.db2.gz DEVQHIRVQKIZIX-ZFWWWQNUSA-N 0 3 259.353 2.015 40 0 CEABHN CCOC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000073381370 363215126 /nfs/dbraw/zinc/21/51/26/363215126.db2.gz UUINOISAVJMTNZ-UHFFFAOYSA-N 0 3 290.363 2.144 40 0 CEABHN CN1CCC(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000074713435 363375003 /nfs/dbraw/zinc/37/50/03/363375003.db2.gz RDXHPWMGEBUZNN-UHFFFAOYSA-N 0 3 254.280 2.245 40 0 CEABHN CC(=O)Nc1ccc(CNCc2ccncc2)cc1 ZINC000004244936 361307296 /nfs/dbraw/zinc/30/72/96/361307296.db2.gz MVMPKAPWEXNKCI-UHFFFAOYSA-N 0 3 255.321 2.330 40 0 CEABHN Clc1ccc(Cl)c(OC[C@H]2CNCCO2)c1 ZINC000011587464 361359844 /nfs/dbraw/zinc/35/98/44/361359844.db2.gz BTZVNANVWQUSLS-SECBINFHSA-N 0 3 262.136 2.361 40 0 CEABHN CN(C)CCNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000013632527 361434252 /nfs/dbraw/zinc/43/42/52/361434252.db2.gz NRPGYSYGBZPPRN-DTQAZKPQSA-N 0 3 284.359 2.498 40 0 CEABHN Cc1c(CN2CC[C@@H](CO)C2)cnn1Cc1ccccc1 ZINC000019554513 361543565 /nfs/dbraw/zinc/54/35/65/361543565.db2.gz OSMQXVRCEJBKQR-MRXNPFEDSA-N 0 3 285.391 2.054 40 0 CEABHN COc1ccc(C2=CNC(C(F)(F)F)=C[C@@H]2N)cc1 ZINC000101027457 364553846 /nfs/dbraw/zinc/55/38/46/364553846.db2.gz SKCOAIUEIJDDRM-NSHDSACASA-N 0 3 270.254 2.413 40 0 CEABHN COCC[C@@H]1CCOC12CCN(Cc1ccccn1)CC2 ZINC000585102598 367177147 /nfs/dbraw/zinc/17/71/47/367177147.db2.gz BSIGCIBOYNOWIZ-OAHLLOKOSA-N 0 3 290.407 2.489 40 0 CEABHN COC(=O)[C@@H]1CN(C)C[C@@H]1c1ccc(Cl)cc1 ZINC000209230680 370159847 /nfs/dbraw/zinc/15/98/47/370159847.db2.gz VXRLOWUNYIQIGZ-VXGBXAGGSA-N 0 3 253.729 2.158 40 0 CEABHN COc1ccccc1CCNC(=O)[C@@H]1NCCCC1(C)C ZINC000230293971 370451672 /nfs/dbraw/zinc/45/16/72/370451672.db2.gz PORPMUBLYNLMKT-HNNXBMFYSA-N 0 3 290.407 2.132 40 0 CEABHN c1cc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cs1 ZINC000253588907 371530113 /nfs/dbraw/zinc/53/01/13/371530113.db2.gz YPRUUDNUVOBELJ-JKSUJKDBSA-N 0 3 292.448 2.433 40 0 CEABHN CC(C)OCCCNCc1cnn(CC(F)F)c1 ZINC000256053648 190004950 /nfs/dbraw/zinc/00/49/50/190004950.db2.gz SGPGRBRRFYJJEG-UHFFFAOYSA-N 0 3 261.316 2.053 40 0 CEABHN CC(C)Cn1nccc1CNCCCOC(C)C ZINC000256050893 190003030 /nfs/dbraw/zinc/00/30/30/190003030.db2.gz GXLSEKQZZLTQLI-UHFFFAOYSA-N 0 3 253.390 2.444 40 0 CEABHN CCCN1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257204151 190011735 /nfs/dbraw/zinc/01/17/35/190011735.db2.gz ATFQIWFUOJTHGA-OAHLLOKOSA-N 0 3 261.369 2.265 40 0 CEABHN CN1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257210912 190012295 /nfs/dbraw/zinc/01/22/95/190012295.db2.gz BWQJOXSEOQHCRL-HOTGVXAUSA-N 0 3 261.365 2.457 40 0 CEABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2[nH]cnc2C)C1 ZINC000257228118 190016329 /nfs/dbraw/zinc/01/63/29/190016329.db2.gz FSJCSFONPJAOLG-ZDUSSCGKSA-N 0 3 273.384 2.204 40 0 CEABHN c1ncc(CN2CCC[C@@H](Cc3cccnc3)C2)[nH]1 ZINC000257264898 190022808 /nfs/dbraw/zinc/02/28/08/190022808.db2.gz LWKZPFDMFMDUJR-AWEZNQCLSA-N 0 3 256.353 2.259 40 0 CEABHN Cc1c[nH]c([C@@H]2CCCN(Cc3[nH]cnc3C)C2)n1 ZINC000257283065 190025953 /nfs/dbraw/zinc/02/59/53/190025953.db2.gz OWQFAIRSPFEVBH-GFCCVEGCSA-N 0 3 259.357 2.129 40 0 CEABHN CCn1nccc1-c1nccnc1[C@@H]1CCCN(C)C1 ZINC000257287781 190026882 /nfs/dbraw/zinc/02/68/82/190026882.db2.gz PRMRUMBIKSOESD-GFCCVEGCSA-N 0 3 271.368 2.169 40 0 CEABHN Cc1ncoc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C ZINC000257329326 190035023 /nfs/dbraw/zinc/03/50/23/190035023.db2.gz XJKKXGDAKVAQHQ-JFILPPLUSA-N 0 3 289.379 2.070 40 0 CEABHN O=C(Nc1cccc(Cl)c1)C1=NO[C@@]2(C1)CCCNC2 ZINC000306127184 376541397 /nfs/dbraw/zinc/54/13/97/376541397.db2.gz FRCDLFWAQNTLER-CQSZACIVSA-N 0 3 293.754 2.177 40 0 CEABHN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CNC[C@H]21 ZINC000306143100 285074631 /nfs/dbraw/zinc/07/46/31/285074631.db2.gz XTHKFOQQZHVBNJ-TZMCWYRMSA-N 0 3 291.397 2.258 40 0 CEABHN Cc1ccsc1C[N@@H+]1CCc2nc(C)[n-]c(=O)c2CC1 ZINC000019238703 394468606 /nfs/dbraw/zinc/46/86/06/394468606.db2.gz KNWZUHJZFOXOSC-UHFFFAOYSA-N 0 3 289.404 2.049 40 0 CEABHN Cc1ccsc1C[N@H+]1CCc2nc(C)[n-]c(=O)c2CC1 ZINC000019238703 394468611 /nfs/dbraw/zinc/46/86/11/394468611.db2.gz KNWZUHJZFOXOSC-UHFFFAOYSA-N 0 3 289.404 2.049 40 0 CEABHN CN1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306130305 394513858 /nfs/dbraw/zinc/51/38/58/394513858.db2.gz JBYCANWEQZACIQ-QGZVFWFLSA-N 0 3 280.375 2.070 40 0 CEABHN Cc1cc(N2CCCC2)nc([C@H]2CCCN(C)C2)n1 ZINC000072364625 394598423 /nfs/dbraw/zinc/59/84/23/394598423.db2.gz ALHWBULBEGQOTD-ZDUSSCGKSA-N 0 3 260.385 2.194 40 0 CEABHN O=C(Cc1ccsc1)N1C[C@@H]2NCc3ccccc3[C@@H]2C1 ZINC000096156953 394677268 /nfs/dbraw/zinc/67/72/68/394677268.db2.gz XAKOYWUTRJQLQF-HOTGVXAUSA-N 0 3 298.411 2.388 40 0 CEABHN COc1ccc2nc([C@H]3CCN(Cc4ncc[nH]4)C3)[nH]c2c1 ZINC000035446812 172203209 /nfs/dbraw/zinc/20/32/09/172203209.db2.gz BIEUZTXFCRDJRY-NSHDSACASA-N 0 3 297.362 2.284 40 0 biogenic,in-vitro CEABHN CN(CCN1CCCCC1)c1ccnc(Cl)n1 ZINC000038579691 174147586 /nfs/dbraw/zinc/14/75/86/174147586.db2.gz JKSFWPXGLIUWQT-UHFFFAOYSA-N 0 3 254.765 2.052 40 0 CEABHN COCCn1cc(CN2CCC[C@H](O)C2)c2ccccc21 ZINC000072397850 176395384 /nfs/dbraw/zinc/39/53/84/176395384.db2.gz YMCMEQQBWNRWFF-HNNXBMFYSA-N 0 3 288.391 2.244 40 0 CEABHN COc1ccc(CNCCNc2nc(C)cc(C)n2)cc1 ZINC000062717863 333176185 /nfs/dbraw/zinc/17/61/85/333176185.db2.gz HLHREZJAHNDUHC-UHFFFAOYSA-N 0 3 286.379 2.304 40 0 CEABHN Cc1ccc([C@@H](N)c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095534165 185006539 /nfs/dbraw/zinc/00/65/39/185006539.db2.gz HCUJANFHYXUBON-VXGBXAGGSA-N 0 3 258.325 2.013 40 0 CEABHN O=C1[C@H]2CN(Cc3ccccn3)C[C@H]2CN1c1ccccc1 ZINC000096053592 185074811 /nfs/dbraw/zinc/07/48/11/185074811.db2.gz CEDUHCXFNALMTE-YOEHRIQHSA-N 0 3 293.370 2.176 40 0 CEABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccncc1)C2 ZINC000096056814 185077010 /nfs/dbraw/zinc/07/70/10/185077010.db2.gz PBORYDSXKKSBKD-DLBZAZTESA-N 0 3 290.407 2.489 40 0 CEABHN O[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061562 185082518 /nfs/dbraw/zinc/08/25/18/185082518.db2.gz UVVQSOHHETWCGE-DLBZAZTESA-N 0 3 268.360 2.260 40 0 CEABHN Cc1nnc([C@H]2CCN(Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049169225 362343092 /nfs/dbraw/zinc/34/30/92/362343092.db2.gz NIZQVPCZMYHTOU-LBPRGKRZSA-N 0 3 287.319 2.096 40 0 biogenic,in-vitro CEABHN CNc1cc([C@@H]2CCCN(Cc3ccccn3)C2)ccn1 ZINC000585181505 345009177 /nfs/dbraw/zinc/00/91/77/345009177.db2.gz UBORTOUMFMUNRX-OAHLLOKOSA-N 0 3 282.391 2.320 40 0 CEABHN CC(C)[C@H](N)C(=O)NCc1c(F)cccc1Cl ZINC000057546111 362584145 /nfs/dbraw/zinc/58/41/45/362584145.db2.gz UKNYNHHTWYDSNG-NSHDSACASA-N 0 3 258.724 2.079 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1cccc(C)n1)C2 ZINC000107711063 186187667 /nfs/dbraw/zinc/18/76/67/186187667.db2.gz HHSVDHNVSJBKDN-SJORKVTESA-N 0 3 290.407 2.408 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1cccc(C)n1)C2 ZINC000107711066 186188239 /nfs/dbraw/zinc/18/82/39/186188239.db2.gz HHSVDHNVSJBKDN-IRXDYDNUSA-N 0 3 290.407 2.408 40 0 CEABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1cccs1)C2 ZINC000108525097 186220372 /nfs/dbraw/zinc/22/03/72/186220372.db2.gz ADZIBVWNFZHEMF-UHFFFAOYSA-N 0 3 293.436 2.374 40 0 CEABHN C[C@H](N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnn(C)c1 ZINC000134788427 366359955 /nfs/dbraw/zinc/35/99/55/366359955.db2.gz IMPVPRPJPBOPHW-PYJNHQTQSA-N 0 3 261.369 2.028 40 0 CEABHN C[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1cnn(C)c1 ZINC000134788406 366360107 /nfs/dbraw/zinc/36/01/07/366360107.db2.gz IMPVPRPJPBOPHW-CABNGKKXSA-N 0 3 261.369 2.028 40 0 CEABHN Cc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000216237748 540402088 /nfs/dbraw/zinc/40/20/88/540402088.db2.gz CMKDMFWNQQCGKG-DZKIICNBSA-N 0 3 262.397 2.412 40 0 CEABHN CN(C)CCNC(=O)CSCc1ccc(Cl)cc1 ZINC000013632671 361434843 /nfs/dbraw/zinc/43/48/43/361434843.db2.gz ZVWONPXXLLFOBN-UHFFFAOYSA-N 0 3 286.828 2.251 40 0 CEABHN COc1cc2c(cc1OC)C1(CCCC1)CN[C@H]2CO ZINC000019419574 361533144 /nfs/dbraw/zinc/53/31/44/361533144.db2.gz LDHLAADAEBYNLN-ZDUSSCGKSA-N 0 3 277.364 2.152 40 0 CEABHN NCc1cncn1Cc1ccccc1Br ZINC000085197433 363832193 /nfs/dbraw/zinc/83/21/93/363832193.db2.gz WBIDRHLQROARGF-UHFFFAOYSA-N 0 3 266.142 2.153 40 0 CEABHN COc1ccc(CN2CCc3ncnc(C)c3CC2)cc1 ZINC000096254954 364418321 /nfs/dbraw/zinc/41/83/21/364418321.db2.gz OBGJYKSEGFHAFY-UHFFFAOYSA-N 0 3 283.375 2.394 40 0 CEABHN c1cncc(O[C@@H]2CSC3(CN(CC4CC4)C3)C2)c1 ZINC000253590733 371529845 /nfs/dbraw/zinc/52/98/45/371529845.db2.gz DZAUWGCLFHIUHB-AWEZNQCLSA-N 0 3 276.405 2.430 40 0 CEABHN CC(C)C[C@]1(O)CCNC[C@@H]1Oc1cccc(F)c1 ZINC000257235609 190016883 /nfs/dbraw/zinc/01/68/83/190016883.db2.gz GYOZNZJTQTYPPO-LSDHHAIUSA-N 0 3 267.344 2.344 40 0 CEABHN C[C@H]1CN(c2cccc(C3CCN(C)CC3)n2)C(=O)O1 ZINC000257272313 190023622 /nfs/dbraw/zinc/02/36/22/190023622.db2.gz NBXQISVNIZMUPI-NSHDSACASA-N 0 3 275.352 2.236 40 0 CEABHN COc1ccc([C@@H]2CNCCN2Cc2ccncc2)cc1 ZINC000257268308 190023873 /nfs/dbraw/zinc/02/38/73/190023873.db2.gz MLBVLUIQIGYIJG-KRWDZBQOSA-N 0 3 283.375 2.237 40 0 CEABHN Cn1cncc1CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257266020 190022822 /nfs/dbraw/zinc/02/28/22/190022822.db2.gz MBGSAWYHZDBDTA-XOKHGSTOSA-N 0 3 298.390 2.105 40 0 CEABHN Cc1cn(C)c([C@H]2CCN(Cc3cncs3)C2)n1 ZINC000257338795 190036929 /nfs/dbraw/zinc/03/69/29/190036929.db2.gz YZABAKPTYJKFSD-NSHDSACASA-N 0 3 262.382 2.175 40 0 CEABHN CC(C)CN1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000306133327 376540742 /nfs/dbraw/zinc/54/07/42/376540742.db2.gz MILOUHMKHQMEJO-UKRRQHHQSA-N 0 3 273.380 2.491 40 0 CEABHN COCC[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096220161 256827312 /nfs/dbraw/zinc/82/73/12/256827312.db2.gz OHTOABULIZFFKP-OAHLLOKOSA-N 0 3 290.407 2.489 40 0 CEABHN c1cc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cs1 ZINC000096053987 285439672 /nfs/dbraw/zinc/43/96/72/285439672.db2.gz NODGTYBVIOHWOS-KBPBESRZSA-N 0 3 286.404 2.106 40 0 CEABHN O=C(c1ccsc1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC000096157352 394676784 /nfs/dbraw/zinc/67/67/84/394676784.db2.gz PGNWTZTZAKDDKD-LSDHHAIUSA-N 0 3 284.384 2.460 40 0 CEABHN Cn1c(SCCN2CCCC2)nnc1-c1ccncc1 ZINC000004966543 170046384 /nfs/dbraw/zinc/04/63/84/170046384.db2.gz CAVFHULYTSSMNG-UHFFFAOYSA-N 0 3 289.408 2.065 40 0 CEABHN c1cnc([C@@H]2CCCN(Cc3ccncc3)C2)cn1 ZINC000072363789 176378355 /nfs/dbraw/zinc/37/83/55/176378355.db2.gz YVRHPRAEKCXGLO-CQSZACIVSA-N 0 3 254.337 2.251 40 0 CEABHN CN1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072364983 176380031 /nfs/dbraw/zinc/38/00/31/176380031.db2.gz YBLXHANYXPZSNS-ZDUSSCGKSA-N 0 3 269.352 2.424 40 0 CEABHN c1cn2c(n1)nccc2[C@H]1CCN(Cc2ccncc2)C1 ZINC000072367946 176382501 /nfs/dbraw/zinc/38/25/01/176382501.db2.gz LNYRJIPXBSYOCP-AWEZNQCLSA-N 0 3 279.347 2.114 40 0 CEABHN Oc1ccc(CN2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000072385361 176389985 /nfs/dbraw/zinc/38/99/85/176389985.db2.gz CKJCFSNUPYUEMQ-MRXNPFEDSA-N 0 3 298.386 2.478 40 0 CEABHN Cc1c(CNCCN2CCCC2=O)c2ccccc2n1C ZINC000072390447 176393822 /nfs/dbraw/zinc/39/38/22/176393822.db2.gz MCTPGBRDFDJQNG-UHFFFAOYSA-N 0 3 285.391 2.199 40 0 CEABHN CC(C)N1C[C@H]2CN(Cc3ccccc3)C(=O)[C@@]2(F)C1 ZINC000096261728 265349290 /nfs/dbraw/zinc/34/92/90/265349290.db2.gz LIVSAJSCTIREET-GDBMZVCRSA-N 0 3 276.355 2.077 40 0 CEABHN COc1ccc2c(c1)[C@@H](O)[C@@H](NCc1ccccc1)C2 ZINC000031912103 274134525 /nfs/dbraw/zinc/13/45/25/274134525.db2.gz QOAGIRXXYXCYCD-DLBZAZTESA-N 0 3 269.344 2.443 40 0 CEABHN O=C(c1ccc(Cl)c(Cl)c1)N1CCCNCC1 ZINC000019679955 275012313 /nfs/dbraw/zinc/01/23/13/275012313.db2.gz VHBJHJGMUDAFPD-UHFFFAOYSA-N 0 3 273.163 2.429 40 0 CEABHN CCOC(=O)[C@@H]([C@@H](C)N1CCCCC1)N1CCCCC1 ZINC000019366255 279584463 /nfs/dbraw/zinc/58/44/63/279584463.db2.gz IRUSQNAIDMLKBQ-HUUCEWRRSA-N 0 3 282.428 2.278 40 0 CEABHN CC(C)[C@H]([NH3+])c1nnc(COc2ccc(F)cc2)[n-]1 ZINC000095534740 185006643 /nfs/dbraw/zinc/00/66/43/185006643.db2.gz PFJDIKBMKJQSCO-LBPRGKRZSA-N 0 3 264.304 2.179 40 0 CEABHN CC(C)[C@H]([NH3+])c1nc(COc2ccc(F)cc2)n[n-]1 ZINC000095534740 185006644 /nfs/dbraw/zinc/00/66/44/185006644.db2.gz PFJDIKBMKJQSCO-LBPRGKRZSA-N 0 3 264.304 2.179 40 0 CEABHN NCc1cn(-c2ccc(Br)cc2)cn1 ZINC000082555815 178092035 /nfs/dbraw/zinc/09/20/35/178092035.db2.gz MGSRZWMMIKTLSI-UHFFFAOYSA-N 0 3 252.115 2.094 40 0 CEABHN c1coc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053722 185074132 /nfs/dbraw/zinc/07/41/32/185074132.db2.gz BYTKRPZSTBUPQP-HZPDHXFCSA-N 0 3 283.375 2.238 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096056720 185076994 /nfs/dbraw/zinc/07/69/94/185076994.db2.gz YLSCRXPAZCUAOA-HZPDHXFCSA-N 0 3 276.380 2.099 40 0 CEABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)C1CC1 ZINC000096057898 185079411 /nfs/dbraw/zinc/07/94/11/185079411.db2.gz HWHUTKFBNHYBEB-RRFJBIMHSA-N 0 3 251.370 2.055 40 0 CEABHN CC(C)CN1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 ZINC000096080579 185090662 /nfs/dbraw/zinc/09/06/62/185090662.db2.gz MILOUHMKHQMEJO-ZFWWWQNUSA-N 0 3 273.380 2.491 40 0 CEABHN CC(C)CN1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096083634 185093119 /nfs/dbraw/zinc/09/31/19/185093119.db2.gz DVLGTTZGGQHXLC-OWCLPIDISA-N 0 3 288.391 2.370 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000037798898 361942271 /nfs/dbraw/zinc/94/22/71/361942271.db2.gz LLGIYCHIDAZSTM-LBPRGKRZSA-N 0 3 272.751 2.421 40 0 CEABHN CC(C)S(=O)(=O)c1ccc(CN)c2ccccc21 ZINC000085390885 179047830 /nfs/dbraw/zinc/04/78/30/179047830.db2.gz ZGAKSISVJJQWLU-UHFFFAOYSA-N 0 3 263.362 2.481 40 0 CEABHN CCOc1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000063149987 362752194 /nfs/dbraw/zinc/75/21/94/362752194.db2.gz QLGFXRMQEIURLP-UHFFFAOYSA-N 0 3 293.436 2.466 40 0 CEABHN CCn1cc(CN2CCNC[C@H]2c2ccccc2)cn1 ZINC000068696126 362944975 /nfs/dbraw/zinc/94/49/75/362944975.db2.gz VXNQLTBISZVTRH-INIZCTEOSA-N 0 3 270.380 2.050 40 0 CEABHN COc1ccc([C@@H](C)NC[C@H](C)[S@](C)=O)c(F)c1 ZINC000090843460 180044477 /nfs/dbraw/zinc/04/44/77/180044477.db2.gz OGVSVGURSJHESE-XVYUCKLSSA-N 0 3 273.373 2.252 40 0 CEABHN C1CN[C@H](c2nc([C@@H]3CCCSCC3)no2)C1 ZINC000575415045 366281617 /nfs/dbraw/zinc/28/16/17/366281617.db2.gz LXHDUNREGKZGCJ-ZJUUUORDSA-N 0 3 253.371 2.495 40 0 CEABHN NCc1sc(N2CCCC2)nc1C(F)(F)F ZINC000075732832 363485941 /nfs/dbraw/zinc/48/59/41/363485941.db2.gz GRNSTMQXFYAPOA-UHFFFAOYSA-N 0 3 251.277 2.221 40 0 CEABHN C[C@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000079420901 363598923 /nfs/dbraw/zinc/59/89/23/363598923.db2.gz YVABGVKEOYGBFS-QMMMGPOBSA-N 0 3 260.259 2.011 40 0 CEABHN CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN ZINC000079420861 363598621 /nfs/dbraw/zinc/59/86/21/363598621.db2.gz SKECLKGZWQYNRY-UHFFFAOYSA-N 0 3 274.286 2.401 40 0 CEABHN CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000079416157 363599559 /nfs/dbraw/zinc/59/95/59/363599559.db2.gz OFKWMWSGNPCZEP-MRXNPFEDSA-N 0 3 290.407 2.304 40 0 CEABHN CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000079416157 363599567 /nfs/dbraw/zinc/59/95/67/363599567.db2.gz OFKWMWSGNPCZEP-MRXNPFEDSA-N 0 3 290.407 2.304 40 0 CEABHN CC(C)N(Cc1ccccc1)C[C@@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079416157 363599572 /nfs/dbraw/zinc/59/95/72/363599572.db2.gz OFKWMWSGNPCZEP-MRXNPFEDSA-N 0 3 290.407 2.304 40 0 CEABHN CC(C)N(Cc1ccccc1)C[C@@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079416157 363599579 /nfs/dbraw/zinc/59/95/79/363599579.db2.gz OFKWMWSGNPCZEP-MRXNPFEDSA-N 0 3 290.407 2.304 40 0 CEABHN COc1ccc2nc(C)c(C(=O)OCCN(C)C)cc2c1 ZINC000000806696 361192606 /nfs/dbraw/zinc/19/26/06/361192606.db2.gz PXKGJOLPSHZDSB-UHFFFAOYSA-N 0 3 288.347 2.270 40 0 CEABHN CN(C)C(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000001675090 361216530 /nfs/dbraw/zinc/21/65/30/361216530.db2.gz FVAOPWYMUSABRQ-UHFFFAOYSA-N 0 3 285.391 2.468 40 0 in-vitro CEABHN Cc1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000013775530 361442275 /nfs/dbraw/zinc/44/22/75/361442275.db2.gz CFUWBCWSSCVQIK-UHFFFAOYSA-N 0 3 263.410 2.376 40 0 CEABHN C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2cccnc2)CC1 ZINC000019339200 361528161 /nfs/dbraw/zinc/52/81/61/361528161.db2.gz CZWLDJFQTDJMFQ-NJAFHUGGSA-N 0 3 283.419 2.411 40 0 CEABHN c1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019372342 361529153 /nfs/dbraw/zinc/52/91/53/361529153.db2.gz VMOKBFZFSYDDDQ-KRWDZBQOSA-N 0 3 294.402 2.459 40 0 CEABHN C[C@@H](C(=O)N(C)Cc1nc2ccccc2[nH]1)N1CCCC1 ZINC000019077442 361519479 /nfs/dbraw/zinc/51/94/79/361519479.db2.gz HEWMVAASTMSSCE-LBPRGKRZSA-N 0 3 286.379 2.006 40 0 CEABHN Brc1cnc(N2CCNCC2)c2ccccc12 ZINC000019721513 361548975 /nfs/dbraw/zinc/54/89/75/361548975.db2.gz OCIYHIDIWCIADH-UHFFFAOYSA-N 0 3 292.180 2.407 40 0 CEABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000019401898 361531329 /nfs/dbraw/zinc/53/13/29/361531329.db2.gz PLXNUAPBDCSVCJ-LESCRADOSA-N 0 3 295.386 2.206 40 0 CEABHN CC(C)(C)OC(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000026896775 361647044 /nfs/dbraw/zinc/64/70/44/361647044.db2.gz USHPJFZLSLVQET-CYBMUJFWSA-N 0 3 262.353 2.226 40 0 CEABHN O[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1cccnc1 ZINC000096200098 364408333 /nfs/dbraw/zinc/40/83/33/364408333.db2.gz JHKJUWKWRPYCAI-LSDHHAIUSA-N 0 3 274.389 2.321 40 0 CEABHN CN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccncc1 ZINC000096200986 364411569 /nfs/dbraw/zinc/41/15/69/364411569.db2.gz FXHAJEWETXVYKE-CABCVRRESA-N 0 3 299.374 2.062 40 0 CEABHN COCCN1CCC2(C[C@H](c3cccnc3)CO2)CC1 ZINC000096220284 364415054 /nfs/dbraw/zinc/41/50/54/364415054.db2.gz GLLDGHBACMAJJJ-HNNXBMFYSA-N 0 3 276.380 2.067 40 0 CEABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3cccnc3)C2)C1 ZINC000248099187 371160090 /nfs/dbraw/zinc/16/00/90/371160090.db2.gz DKLDJTHCQFWKDO-OAHLLOKOSA-N 0 3 289.423 2.014 40 0 CEABHN O=c1[nH]c(CN2CCN3CCCC[C@H]3C2)nc2ccccc21 ZINC000253615639 371532219 /nfs/dbraw/zinc/53/22/19/371532219.db2.gz YGKOGHZPEDWOCB-ZDUSSCGKSA-N 0 3 298.390 2.006 40 0 CEABHN Cc1c(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cnn1C ZINC000257251321 371609841 /nfs/dbraw/zinc/60/98/41/371609841.db2.gz JQGZFVCLIBCIAU-MRXNPFEDSA-N 0 3 299.422 2.224 40 0 CEABHN CO[C@H]1CN(Cc2ccncc2C)CC[C@@]12CCCO2 ZINC000257317985 190032441 /nfs/dbraw/zinc/03/24/41/190032441.db2.gz VMAJVFGYWHKXRJ-HOTGVXAUSA-N 0 3 276.380 2.160 40 0 CEABHN CN1Cc2cccn2[C@@H](COCc2ccncc2)C1 ZINC000306131539 376541507 /nfs/dbraw/zinc/54/15/07/376541507.db2.gz KICUCZIDYQLQGS-OAHLLOKOSA-N 0 3 257.337 2.086 40 0 CEABHN CCN1CC[C@H]2COC(=O)N2c2ccc(OC)cc2C1 ZINC000225490456 394469462 /nfs/dbraw/zinc/46/94/62/394469462.db2.gz DZOGKSSVVRHTSR-LBPRGKRZSA-N 0 3 276.336 2.246 40 0 biogenic,in-vitro CEABHN CCN1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216238 394593470 /nfs/dbraw/zinc/59/34/70/394593470.db2.gz IWONFYSGKVFFII-OAHLLOKOSA-N 0 3 275.396 2.465 40 0 CEABHN OCC[C@@H]1CNCc2cc(Br)ccc21 ZINC000095887548 394674597 /nfs/dbraw/zinc/67/45/97/394674597.db2.gz CQOOFUPYUVYKKU-MRVPVSSYSA-N 0 3 256.143 2.018 40 0 CEABHN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)C ZINC000010111689 170397770 /nfs/dbraw/zinc/39/77/70/170397770.db2.gz IVARFLDVJBBQGH-CYBMUJFWSA-N 0 3 292.423 2.429 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000022212903 171374257 /nfs/dbraw/zinc/37/42/57/171374257.db2.gz AZNIWJXAYMFWFF-GYSYKLTISA-N 0 3 268.788 2.449 40 0 CEABHN O=C(Nc1ccc(F)cc1)c1cncc([C@H]2CCCN2)n1 ZINC000072365614 176380657 /nfs/dbraw/zinc/38/06/57/176380657.db2.gz PVJWMLXOZBXOCY-GFCCVEGCSA-N 0 3 286.310 2.293 40 0 CEABHN Cc1nc([C@H]2CCCN2)nc2c1CCC(=O)N2CC(C)C ZINC000257199847 274845544 /nfs/dbraw/zinc/84/55/44/274845544.db2.gz ABAGGFLHJGYXMQ-CYBMUJFWSA-N 0 3 288.395 2.145 40 0 CEABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccccn1)CC2 ZINC000096047505 185072872 /nfs/dbraw/zinc/07/28/72/185072872.db2.gz FBDQBYLYIACXTE-KRWDZBQOSA-N 0 3 287.407 2.449 40 0 CEABHN CCN1CCOC[C@@]2(CCCN(Cc3cccnc3)C2)C1 ZINC000096049600 185073085 /nfs/dbraw/zinc/07/30/85/185073085.db2.gz WSZUPJUTBFKXLZ-KRWDZBQOSA-N 0 3 289.423 2.016 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096056709 185077270 /nfs/dbraw/zinc/07/72/70/185077270.db2.gz MSHWUFSCDKMXQC-CABCVRRESA-N 0 3 265.353 2.297 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096056727 185077348 /nfs/dbraw/zinc/07/73/48/185077348.db2.gz HVXOOPYFHMJWMJ-CVEARBPZSA-N 0 3 276.380 2.099 40 0 CEABHN CCOC[C@H]1CN(CC2CC2)Cc2cn(CC)nc21 ZINC000096059923 185080127 /nfs/dbraw/zinc/08/01/27/185080127.db2.gz ASDXBXUSYRDNSR-CQSZACIVSA-N 0 3 263.385 2.249 40 0 CEABHN CCOC[C@]12COC[C@H]1CN(Cc1cccc(OC)c1)C2 ZINC000096108671 185099413 /nfs/dbraw/zinc/09/94/13/185099413.db2.gz SZDQLRNAGWIFQP-NVXWUHKLSA-N 0 3 291.391 2.180 40 0 CEABHN C[C@H](CNCc1ccccn1)C(=O)OC(C)(C)C ZINC000047219083 362201938 /nfs/dbraw/zinc/20/19/38/362201938.db2.gz CQJJEGFWAKINIZ-LLVKDONJSA-N 0 3 250.342 2.149 40 0 CEABHN CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccncc3)[C@H]2C1 ZINC000585109722 345005725 /nfs/dbraw/zinc/00/57/25/345005725.db2.gz LQHJEBGAUOJVID-YESZJQIVSA-N 0 3 293.370 2.212 40 0 CEABHN O[C@@]1(COc2ccccc2)COCCN(C2CCCC2)C1 ZINC000585269044 345009417 /nfs/dbraw/zinc/00/94/17/345009417.db2.gz IRCJPLBHPGGJNP-QGZVFWFLSA-N 0 3 291.391 2.071 40 0 CEABHN CC(C)N1CCC[C@H]1c1cncc(-c2nccn2C)n1 ZINC000585178863 345009441 /nfs/dbraw/zinc/00/94/41/345009441.db2.gz UBYVYLCPNQCPSL-AWEZNQCLSA-N 0 3 271.368 2.422 40 0 CEABHN O[C@@H]1[C@@H](CNCc2cccnc2)CC[C@H]1Oc1ccccc1 ZINC000585285370 345009823 /nfs/dbraw/zinc/00/98/23/345009823.db2.gz BNHGGCDADNIVFI-KBAYOESNSA-N 0 3 298.386 2.390 40 0 CEABHN O=C1CC[C@@]2(CCCN(CCOc3ccccc3)C2)O1 ZINC000585282261 345009898 /nfs/dbraw/zinc/00/98/98/345009898.db2.gz CFFRVEKENJRPCS-MRXNPFEDSA-N 0 3 275.348 2.237 40 0 CEABHN c1ccc(C(c2ccccc2)N2CC3(C2)CNCCO3)cc1 ZINC000066054954 362849285 /nfs/dbraw/zinc/84/92/85/362849285.db2.gz FQPRSKPPZBWITE-UHFFFAOYSA-N 0 3 294.398 2.450 40 0 CEABHN CCOC[C@H]1CNCc2cn(CC3CCCC3)nc21 ZINC000107491104 186175616 /nfs/dbraw/zinc/17/56/16/186175616.db2.gz ZIWCLBGXDCFSAB-CQSZACIVSA-N 0 3 263.385 2.297 40 0 CEABHN c1cn([C@H]2CO[C@@]3(C2)CCCN(Cc2ccncc2)C3)cn1 ZINC000107731411 186189187 /nfs/dbraw/zinc/18/91/87/186189187.db2.gz QDQCLGDBADXANC-IAGOWNOFSA-N 0 3 298.390 2.274 40 0 CEABHN NNc1cc(-c2nc(-c3ccccc3)no2)ccn1 ZINC000070451560 363084112 /nfs/dbraw/zinc/08/41/12/363084112.db2.gz WQOROUGYFUOKMT-UHFFFAOYSA-N 0 3 253.265 2.084 40 0 CEABHN NN=c1cc(-c2nc(-c3ccccc3)no2)cc[nH]1 ZINC000070451560 363084117 /nfs/dbraw/zinc/08/41/17/363084117.db2.gz WQOROUGYFUOKMT-UHFFFAOYSA-N 0 3 253.265 2.084 40 0 CEABHN COc1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000074920918 363418918 /nfs/dbraw/zinc/41/89/18/363418918.db2.gz IGHKIARQPKKVOV-UHFFFAOYSA-N 0 3 276.380 2.043 40 0 CEABHN Cc1nc(-c2ccccc2)ncc1[C@H](O)CN(C)C ZINC000001593980 538736293 /nfs/dbraw/zinc/73/62/93/538736293.db2.gz QYTRDMIFXBEDOF-CQSZACIVSA-N 0 3 257.337 2.047 40 0 CEABHN CC[C@@H]1CNCC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC000203815012 540295568 /nfs/dbraw/zinc/29/55/68/540295568.db2.gz NPZTVFQGUQUOKX-GFCCVEGCSA-N 0 3 284.400 2.155 40 0 CEABHN CCNCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001671419 361216116 /nfs/dbraw/zinc/21/61/16/361216116.db2.gz SPWYROJXMNMQSB-UHFFFAOYSA-N 0 3 278.352 2.047 40 0 CEABHN CCOCCCNCC(=O)N[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000004400750 361316479 /nfs/dbraw/zinc/31/64/79/361316479.db2.gz ADQOVMUDQNVVLB-VBQJREDUSA-N 0 3 296.455 2.334 40 0 CEABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](SC1=NCCN1)C2=O ZINC000006755034 361338779 /nfs/dbraw/zinc/33/87/79/361338779.db2.gz YFDJJLGIQNHJNS-IYYTYJHQSA-N 0 3 252.383 2.073 40 0 CEABHN CC(=O)c1cccc(NC(=O)[C@H]2CCCN(C)C2)c1 ZINC000082333254 363767073 /nfs/dbraw/zinc/76/70/73/363767073.db2.gz PZIFUDLUTOHULH-ZDUSSCGKSA-N 0 3 260.337 2.170 40 0 CEABHN CC(C)[C@H](N)C(=O)Nc1ccccc1Br ZINC000011959004 361370755 /nfs/dbraw/zinc/37/07/55/361370755.db2.gz CRPWRMXITAQRMW-JTQLQIEISA-N 0 3 271.158 2.371 40 0 CEABHN CC(C)(C)OC(=O)N[C@H]1CCN(c2ccccc2CN)C1 ZINC000089223655 363949989 /nfs/dbraw/zinc/94/99/89/363949989.db2.gz BWNGNOCDGYOGEC-ZDUSSCGKSA-N 0 3 291.395 2.249 40 0 CEABHN CN1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc2[nH]ccc2c1 ZINC000096184252 364406379 /nfs/dbraw/zinc/40/63/79/364406379.db2.gz BPIMRLWNTBFWRJ-LSDHHAIUSA-N 0 3 269.348 2.087 40 0 CEABHN c1csc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053984 364400635 /nfs/dbraw/zinc/40/06/35/364400635.db2.gz ANIIWYBBFQLODF-CHWSQXEVSA-N 0 3 286.404 2.106 40 0 CEABHN Cc1nc(N2CCCC2)nc2c1CN(CC(C)C)CC2 ZINC000096253839 364416843 /nfs/dbraw/zinc/41/68/43/364416843.db2.gz BPKALYZURQVCBC-UHFFFAOYSA-N 0 3 274.412 2.399 40 0 CEABHN CN1CCO[C@@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096268627 364420226 /nfs/dbraw/zinc/42/02/26/364420226.db2.gz AQSFSFPAVZSNHN-AWEZNQCLSA-N 0 3 266.410 2.045 40 0 CEABHN CN1CCC(NC(=S)Nc2c(F)cccc2F)CC1 ZINC000225799999 370319233 /nfs/dbraw/zinc/31/92/33/370319233.db2.gz ZAUOJSZNLOHWKC-UHFFFAOYSA-N 0 3 285.363 2.345 40 0 CEABHN Cn1c(CNC[C@@H]2CCCO2)ccc1Cc1ccco1 ZINC000226021374 370327343 /nfs/dbraw/zinc/32/73/43/370327343.db2.gz WAZXBLWXYKLLRW-INIZCTEOSA-N 0 3 274.364 2.478 40 0 CEABHN Cc1c[nH]c([C@H]2CCCN(Cc3cccn3C)C2)n1 ZINC000257257592 190021685 /nfs/dbraw/zinc/02/16/85/190021685.db2.gz KQHRQTRASQKBDO-ZDUSSCGKSA-N 0 3 258.369 2.436 40 0 CEABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2[nH]cnc2C)C1 ZINC000257282237 190026403 /nfs/dbraw/zinc/02/64/03/190026403.db2.gz OSZCTUCPMDXIKM-LBPRGKRZSA-N 0 3 259.357 2.129 40 0 CEABHN Cc1cc(Nc2ccccn2)nc([C@@H]2CCCN2)n1 ZINC000257296916 190028338 /nfs/dbraw/zinc/02/83/38/190028338.db2.gz REZSUINLXBZWHH-NSHDSACASA-N 0 3 255.325 2.348 40 0 CEABHN OC1(CN2CCC[C@H]2c2cnccn2)CCCCC1 ZINC000257299419 190029794 /nfs/dbraw/zinc/02/97/94/190029794.db2.gz RPZXYGIIZGFEHF-AWEZNQCLSA-N 0 3 261.369 2.309 40 0 CEABHN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC000257298567 190029836 /nfs/dbraw/zinc/02/98/36/190029836.db2.gz RMHMHABSABIOAM-ZDUSSCGKSA-N 0 3 287.367 2.059 40 0 CEABHN Cc1c[nH]c([C@H]2CCN(Cc3cccc(C)n3)C2)n1 ZINC000257314832 190032657 /nfs/dbraw/zinc/03/26/57/190032657.db2.gz UYQYGLOYQGJEBG-ZDUSSCGKSA-N 0 3 256.353 2.411 40 0 CEABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cccn2C)C1 ZINC000257344014 190037686 /nfs/dbraw/zinc/03/76/86/190037686.db2.gz ZVLBDGVHJKFUBZ-CYBMUJFWSA-N 0 3 258.369 2.436 40 0 CEABHN COC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2N(C)C1 ZINC000029483539 394482658 /nfs/dbraw/zinc/48/26/58/394482658.db2.gz OSKZYLPFYNARRX-UXIGCNINSA-N 0 3 284.359 2.301 40 0 CEABHN CCN1CCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219332 394593252 /nfs/dbraw/zinc/59/32/52/394593252.db2.gz IRALUGSUEXLGFR-HNNXBMFYSA-N 0 3 275.396 2.383 40 0 CEABHN Fc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 ZINC000096055849 394675241 /nfs/dbraw/zinc/67/52/41/394675241.db2.gz XHBUQLORAMXZJA-CVEARBPZSA-N 0 3 298.365 2.469 40 0 CEABHN C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc([O-])cc1)C2 ZINC000004773077 170014858 /nfs/dbraw/zinc/01/48/58/170014858.db2.gz VXNQEEYJSNEORM-ONXXMXGDSA-N 0 3 261.321 2.174 40 0 CEABHN C[N@@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc([O-])cc1)C2 ZINC000004773077 170014859 /nfs/dbraw/zinc/01/48/59/170014859.db2.gz VXNQEEYJSNEORM-ONXXMXGDSA-N 0 3 261.321 2.174 40 0 CEABHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000009876597 170388467 /nfs/dbraw/zinc/38/84/67/170388467.db2.gz BERVLBQEFXJNPB-ZDUSSCGKSA-N 0 3 261.369 2.458 40 0 CEABHN CN1CCC[C@H](CNC(=S)Nc2ccc(F)cc2)C1 ZINC000009876286 170388540 /nfs/dbraw/zinc/38/85/40/170388540.db2.gz DCZCCACBTACIPT-LLVKDONJSA-N 0 3 281.400 2.454 40 0 CEABHN COc1ccc(OC)c([C@@H](CN)N2CCC[C@@H](C)C2)c1 ZINC000022218430 171376975 /nfs/dbraw/zinc/37/69/75/171376975.db2.gz AXSOXHXUGNIETM-IUODEOHRSA-N 0 3 278.396 2.436 40 0 CEABHN CCOC(=O)C[C@@](C)(NC)c1ccc(OC)cc1 ZINC000072210261 176342868 /nfs/dbraw/zinc/34/28/68/176342868.db2.gz FIXDDEWZLIVAEM-CQSZACIVSA-N 0 3 251.326 2.083 40 0 CEABHN CN1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072354313 176374668 /nfs/dbraw/zinc/37/46/68/176374668.db2.gz IQAMLWZONWLZML-GFCCVEGCSA-N 0 3 269.352 2.424 40 0 CEABHN CN1CCC[C@H](c2nccnc2Nc2nccs2)C1 ZINC000072364725 176379814 /nfs/dbraw/zinc/37/98/14/176379814.db2.gz ONSQBBYKCJNLRL-JTQLQIEISA-N 0 3 275.381 2.486 40 0 CEABHN CNc1cncc([C@H]2CCCN2CC2CCOCC2)n1 ZINC000072386144 176391240 /nfs/dbraw/zinc/39/12/40/176391240.db2.gz KOCHMYYWFWBQEA-CQSZACIVSA-N 0 3 276.384 2.082 40 0 CEABHN CNc1ccc(C[C@@H]2CCCN(Cc3ccncc3)C2)nn1 ZINC000072387305 176392488 /nfs/dbraw/zinc/39/24/88/176392488.db2.gz GNELTGSHCDFXEZ-HNNXBMFYSA-N 0 3 297.406 2.368 40 0 CEABHN CN1CCC[C@@H](c2cccc(NC3CCOCC3)n2)C1 ZINC000072386972 176392550 /nfs/dbraw/zinc/39/25/50/176392550.db2.gz XUUMKHWIMUAXPE-CYBMUJFWSA-N 0 3 275.396 2.482 40 0 CEABHN O=C1CC[C@@H](NCc2cccnc2)[C@H](c2cccc(F)c2)N1 ZINC000072398319 176396402 /nfs/dbraw/zinc/39/64/02/176396402.db2.gz UIOBCSIQMBGWML-WBVHZDCISA-N 0 3 299.349 2.330 40 0 CEABHN OCC[C@H]1CNCc2cc(Br)ccc21 ZINC000095887546 260557950 /nfs/dbraw/zinc/55/79/50/260557950.db2.gz CQOOFUPYUVYKKU-QMMMGPOBSA-N 0 3 256.143 2.018 40 0 CEABHN C(C1CCCCC1)N1CCC[C@H]1c1nnc2n1CCNC2 ZINC000019705505 275389993 /nfs/dbraw/zinc/38/99/93/275389993.db2.gz ZCCXUVULJFCERL-AWEZNQCLSA-N 0 3 289.427 2.099 40 0 CEABHN COc1cc2c(cc1OC)C1(CCCC1)CN[C@@H]2CO ZINC000019419572 277853251 /nfs/dbraw/zinc/85/32/51/277853251.db2.gz LDHLAADAEBYNLN-CYBMUJFWSA-N 0 3 277.364 2.152 40 0 CEABHN c1cc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)co1 ZINC000096040594 185069246 /nfs/dbraw/zinc/06/92/46/185069246.db2.gz FUQWXTASEHCDJZ-BBWFWOEESA-N 0 3 290.407 2.355 40 0 CEABHN CC[C@@H]1N(Cc2ccco2)CCC[C@]12CCC(=O)N2 ZINC000096038490 185069353 /nfs/dbraw/zinc/06/93/53/185069353.db2.gz KPPFYYLQBYBTLG-ZFWWWQNUSA-N 0 3 262.353 2.303 40 0 CEABHN CCN1CCC2(CCN(Cc3c(C)noc3C)CC2)C1=O ZINC000096046741 185072068 /nfs/dbraw/zinc/07/20/68/185072068.db2.gz WJSSGBCCPGVXQY-UHFFFAOYSA-N 0 3 291.395 2.126 40 0 CEABHN c1csc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096053982 185075445 /nfs/dbraw/zinc/07/54/45/185075445.db2.gz ANIIWYBBFQLODF-BETUJISGSA-N 0 3 286.404 2.106 40 0 CEABHN CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC000096056467 185077506 /nfs/dbraw/zinc/07/75/06/185077506.db2.gz XYCBHOGUNAKMPR-ZIAGYGMSSA-N 0 3 262.328 2.021 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000096056723 185077811 /nfs/dbraw/zinc/07/78/11/185077811.db2.gz MUKJZWFPHMTUTQ-CVEARBPZSA-N 0 3 276.380 2.099 40 0 CEABHN CCOC[C@@H]1CN(CC2CC2)Cc2cn(CC)nc21 ZINC000096059922 185080931 /nfs/dbraw/zinc/08/09/31/185080931.db2.gz ASDXBXUSYRDNSR-AWEZNQCLSA-N 0 3 263.385 2.249 40 0 CEABHN C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)CC[C@H]2O1 ZINC000096066460 185084274 /nfs/dbraw/zinc/08/42/74/185084274.db2.gz MNAWBLXHYPBYCP-FPMFFAJLSA-N 0 3 275.348 2.415 40 0 CEABHN COC[C@]12COC[C@H]1CN(Cc1ccc3ccccc3n1)C2 ZINC000096108641 185099525 /nfs/dbraw/zinc/09/95/25/185099525.db2.gz JVVYNXVQGSBEDW-CRAIPNDOSA-N 0 3 298.386 2.330 40 0 CEABHN COC(=O)[C@@H]1CN(C)C[C@H]1c1ccc(Cl)cc1 ZINC000209230716 344530297 /nfs/dbraw/zinc/53/02/97/344530297.db2.gz VXRLOWUNYIQIGZ-NWDGAFQWSA-N 0 3 253.729 2.158 40 0 CEABHN Cc1nc(N[C@H](C)CO)cc(N2CCc3ccccc3C2)n1 ZINC000328960471 344758406 /nfs/dbraw/zinc/75/84/06/344758406.db2.gz AYFXUGFJUPCMHS-GFCCVEGCSA-N 0 3 298.390 2.140 40 0 CEABHN CC(C)[C@H](C(=N)NO)N(C(=O)OC(C)(C)C)C1CC1 ZINC000409442443 344890023 /nfs/dbraw/zinc/89/00/23/344890023.db2.gz VCWQREZZVCXDLM-SNVBAGLBSA-N 0 3 271.361 2.367 40 0 CEABHN Cc1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000074920910 363418807 /nfs/dbraw/zinc/41/88/07/363418807.db2.gz DCEHUYMNMOIDJO-UHFFFAOYSA-N 0 3 260.381 2.343 40 0 CEABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1cccs1)C(C)C ZINC000079436336 363600319 /nfs/dbraw/zinc/60/03/19/363600319.db2.gz DTXBCHQYTOLEAZ-ZDUSSCGKSA-N 0 3 282.409 2.151 40 0 CEABHN COC(=O)[C@H](c1ccccc1)[C@@]1(O)C[C@@H](C)N(C)C[C@@H]1C ZINC000013122902 361419079 /nfs/dbraw/zinc/41/90/79/361419079.db2.gz XGFOAXWEGYBKCA-UICACZKSSA-N 0 3 291.391 2.034 40 0 CEABHN CCc1noc(C)c1C(=O)NCCN1C[C@H](C)C[C@H](C)C1 ZINC000019521279 361541353 /nfs/dbraw/zinc/54/13/53/361541353.db2.gz NHUFTFRNDTUMSC-TXEJJXNPSA-N 0 3 293.411 2.253 40 0 CEABHN CCCn1ncc(C(=O)N2CCCC[C@@H]2CN(C)C)c1C ZINC000019525876 361541386 /nfs/dbraw/zinc/54/13/86/361541386.db2.gz PNTZVDQRMKRXIQ-CQSZACIVSA-N 0 3 292.427 2.158 40 0 CEABHN CCN(CC)CCN[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000022931231 361590947 /nfs/dbraw/zinc/59/09/47/361590947.db2.gz CXSVMOSHBAQULZ-QLFBSQMISA-N 0 3 283.460 2.096 40 0 CEABHN COC[C@H]1C(=O)N(c2ccccc2)CC12CCN(C)CC2 ZINC000096206144 364411400 /nfs/dbraw/zinc/41/14/00/364411400.db2.gz JLFNNZMBAHIWIC-HNNXBMFYSA-N 0 3 288.391 2.008 40 0 CEABHN c1coc(CN2C[C@@H]3COC[C@]3(CNc3ccccn3)C2)c1 ZINC000096220551 364414609 /nfs/dbraw/zinc/41/46/09/364414609.db2.gz PKNIGGQFKYXCPO-PBHICJAKSA-N 0 3 299.374 2.235 40 0 CEABHN COc1ncnc2c1CCN(Cc1ccc(C)s1)CC2 ZINC000096255560 364418870 /nfs/dbraw/zinc/41/88/70/364418870.db2.gz JPJQLJFDQAJOTG-UHFFFAOYSA-N 0 3 289.404 2.456 40 0 CEABHN CN1CC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000096268644 364420880 /nfs/dbraw/zinc/42/08/80/364420880.db2.gz RLWOFVCKJCIBQM-HNNXBMFYSA-N 0 3 250.386 2.121 40 0 CEABHN O[C@@H]1CCCOC12CCN(CCOc1ccccc1)CC2 ZINC000257242615 190018377 /nfs/dbraw/zinc/01/83/77/190018377.db2.gz IDIGZMPINRWGRO-MRXNPFEDSA-N 0 3 291.391 2.071 40 0 CEABHN Cc1cnc([C@@H]2CCCN(C(=O)C3(N)CCCC3)C2)s1 ZINC000257328589 190034869 /nfs/dbraw/zinc/03/48/69/190034869.db2.gz XGIGHSKPVZGFOZ-GFCCVEGCSA-N 0 3 293.436 2.429 40 0 CEABHN CCN1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216538 394593188 /nfs/dbraw/zinc/59/31/88/394593188.db2.gz XKJDOOTVQLVMMU-MRXNPFEDSA-N 0 3 288.439 2.380 40 0 CEABHN COc1ccc(OC)c([C@@H](CN)N2CCC[C@H](C)C2)c1 ZINC000251578492 394568523 /nfs/dbraw/zinc/56/85/23/394568523.db2.gz AXSOXHXUGNIETM-SWLSCSKDSA-N 0 3 278.396 2.436 40 0 CEABHN CCOC(=O)[C@@H](CN)C(C)(C)Nc1ccc(OC)cc1 ZINC000072210416 394591964 /nfs/dbraw/zinc/59/19/64/394591964.db2.gz FFONIHQOCSNMJJ-CYBMUJFWSA-N 0 3 280.368 2.024 40 0 CEABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(C)[C@@H]32)cc1 ZINC000257252997 286378597 /nfs/dbraw/zinc/37/85/97/286378597.db2.gz JXDFFWGOKYYFHE-BRWVUGGUSA-N 0 3 288.391 2.104 40 0 CEABHN COc1ccc(NC(=S)NCCN(C)C)cc1Cl ZINC000007521490 170288577 /nfs/dbraw/zinc/28/85/77/170288577.db2.gz XMTMNCSIIKTNGP-UHFFFAOYSA-N 0 3 287.816 2.197 40 0 CEABHN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCN(C)C ZINC000038755021 174154922 /nfs/dbraw/zinc/15/49/22/174154922.db2.gz YGVHNJKDQRNSPT-OAHLLOKOSA-N 0 3 278.396 2.139 40 0 CEABHN COc1cccc([C@@H](CN)N2CCCCC2)c1OC ZINC000038827636 174157243 /nfs/dbraw/zinc/15/72/43/174157243.db2.gz ITECMPTUMRUARS-CYBMUJFWSA-N 0 3 264.369 2.190 40 0 CEABHN O=C(Nc1ccc(F)cc1)c1cncc([C@@H]2CCCN2)n1 ZINC000072365613 176380791 /nfs/dbraw/zinc/38/07/91/176380791.db2.gz PVJWMLXOZBXOCY-LBPRGKRZSA-N 0 3 286.310 2.293 40 0 CEABHN COc1ccc2c(c1)[C@H](O)[C@@H](NCc1ccccc1)C2 ZINC000031912096 274139649 /nfs/dbraw/zinc/13/96/49/274139649.db2.gz QOAGIRXXYXCYCD-IRXDYDNUSA-N 0 3 269.344 2.443 40 0 CEABHN COC[C@H]1COCCC12CCN(Cc1ccncc1)CC2 ZINC000096106263 277267899 /nfs/dbraw/zinc/26/78/99/277267899.db2.gz GGRVZRCDXBICJA-INIZCTEOSA-N 0 3 290.407 2.347 40 0 CEABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(CCC(C)C)C2 ZINC000225494251 281136804 /nfs/dbraw/zinc/13/68/04/281136804.db2.gz IVSTWUYTMHHKBS-INIZCTEOSA-N 0 3 291.439 2.439 40 0 biogenic,in-vitro CEABHN COC(=O)[C@@H](CN)c1c[nH]c2ccc(Cl)cc21 ZINC000027852055 333207708 /nfs/dbraw/zinc/20/77/08/333207708.db2.gz HWVJWLYZXNIOBW-VIFPVBQESA-N 0 3 252.701 2.037 40 0 CEABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2C1CCC1)C1CCOCC1 ZINC000096041662 185069927 /nfs/dbraw/zinc/06/99/27/185069927.db2.gz PDFVFOVPZHPBLO-GVDBMIGSSA-N 0 3 295.423 2.214 40 0 CEABHN O=C1N(CC2CC2)CCC12CCN(Cc1ccccn1)CC2 ZINC000096046877 185072704 /nfs/dbraw/zinc/07/27/04/185072704.db2.gz HBJKRMRCDWBPPY-UHFFFAOYSA-N 0 3 299.418 2.306 40 0 CEABHN CO[C@H]1COC2(C1)CCN(Cc1ccc(C)o1)CC2 ZINC000096048135 185073436 /nfs/dbraw/zinc/07/34/36/185073436.db2.gz UFHRWLJLTIMFDN-CQSZACIVSA-N 0 3 265.353 2.358 40 0 CEABHN O=C1[C@H]2CN(Cc3ccncc3)C[C@H]2CN1c1ccsc1 ZINC000096053689 185074042 /nfs/dbraw/zinc/07/40/42/185074042.db2.gz WANGWNSHGBCIGH-ZFWWWQNUSA-N 0 3 299.399 2.238 40 0 CEABHN O=C1[C@H]2CN(Cc3ccco3)C[C@@H]2CN1c1ccccc1 ZINC000096053571 185074273 /nfs/dbraw/zinc/07/42/73/185074273.db2.gz BGDQONXEAPMOTO-CJNGLKHVSA-N 0 3 282.343 2.374 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000096056724 185077051 /nfs/dbraw/zinc/07/70/51/185077051.db2.gz MUKJZWFPHMTUTQ-HZPDHXFCSA-N 0 3 276.380 2.099 40 0 CEABHN CCOC[C@@H]1CC2(CO1)CCN(Cc1ccncc1)CC2 ZINC000096105872 185098628 /nfs/dbraw/zinc/09/86/28/185098628.db2.gz OXVWVQXLNDYFGT-INIZCTEOSA-N 0 3 290.407 2.489 40 0 CEABHN C[C@@H](CNCc1cccnc1)C(=O)OC(C)(C)C ZINC000047219080 362201774 /nfs/dbraw/zinc/20/17/74/362201774.db2.gz MFSFSOLZYIOTCD-NSHDSACASA-N 0 3 250.342 2.149 40 0 CEABHN CCCOc1ccc(C(=O)OCCN(C)CC)cc1N ZINC000584578837 344959330 /nfs/dbraw/zinc/95/93/30/344959330.db2.gz DBPXXZJFLFQDTO-UHFFFAOYSA-N 0 3 280.368 2.166 40 0 CEABHN Cc1cccc2cc(CN[C@H](CO)C(C)C)c(=O)[nH]c12 ZINC000585293462 345010546 /nfs/dbraw/zinc/01/05/46/345010546.db2.gz XLXRAXFQIQFGDR-CQSZACIVSA-N 0 3 274.364 2.355 40 0 CEABHN CN1CCC(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000174535368 282685365 /nfs/dbraw/zinc/68/53/65/282685365.db2.gz RHWRSMIQJLILOK-UHFFFAOYSA-N 0 3 276.424 2.413 40 0 CEABHN c1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)cs1 ZINC000107746640 186189221 /nfs/dbraw/zinc/18/92/21/186189221.db2.gz YPRUUDNUVOBELJ-CVEARBPZSA-N 0 3 292.448 2.433 40 0 CEABHN COc1cccc(CN(C(=O)[C@@H](N)C(C)C)C2CC2)c1 ZINC000079421057 363598581 /nfs/dbraw/zinc/59/85/81/363598581.db2.gz UTMJVCXUOZZBOI-HNNXBMFYSA-N 0 3 276.380 2.170 40 0 CEABHN CC(C)[C@H](N)C(=O)N([C@@H](C)c1nccs1)C1CC1 ZINC000079436415 363600082 /nfs/dbraw/zinc/60/00/82/363600082.db2.gz ZGVLJUGSQIELHW-ONGXEEELSA-N 0 3 267.398 2.178 40 0 CEABHN COc1ccc2[nH]c(CN3CCC(O)CC3)c(C)c2c1 ZINC000019565486 361542958 /nfs/dbraw/zinc/54/29/58/361542958.db2.gz HHBPNBORQVQWRJ-UHFFFAOYSA-N 0 3 274.364 2.442 40 0 CEABHN CO[C@H]1COC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC000096158768 364403506 /nfs/dbraw/zinc/40/35/06/364403506.db2.gz DEFDZINJINBHQY-CYBMUJFWSA-N 0 3 280.368 2.061 40 0 CEABHN CCOC[C@@H]1Cn2cncc2CN(CC2CCC2)C1 ZINC000096207643 364410462 /nfs/dbraw/zinc/41/04/62/364410462.db2.gz KVWINNQXAXBOER-AWEZNQCLSA-N 0 3 263.385 2.152 40 0 CEABHN CCOc1cccc(CNC(=O)C2CCN(C)CC2)c1 ZINC000174652943 368053861 /nfs/dbraw/zinc/05/38/61/368053861.db2.gz MOFMRTJBKGFRJD-UHFFFAOYSA-N 0 3 276.380 2.043 40 0 CEABHN CCOc1cc(Br)c(CN)cc1OC ZINC000228949609 370416440 /nfs/dbraw/zinc/41/64/40/370416440.db2.gz FHXJTOKWXFLQOQ-UHFFFAOYSA-N 0 3 260.131 2.315 40 0 CEABHN Cc1nc[nH]c1CN(C)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257340001 371612484 /nfs/dbraw/zinc/61/24/84/371612484.db2.gz ZECFXKAJGDEBSU-CQSZACIVSA-N 0 3 285.395 2.214 40 0 CEABHN O=C(c1ccc(C(F)(F)F)cc1)N1CCCNCC1 ZINC000019433360 296205626 /nfs/dbraw/zinc/20/56/26/296205626.db2.gz BPTADPKATNWIEA-UHFFFAOYSA-N 0 3 272.270 2.141 40 0 CEABHN CCn1ncc(CNCCc2cccc(OC)c2)c1F ZINC000256052096 190004347 /nfs/dbraw/zinc/00/43/47/190004347.db2.gz LXHFCWHYSHEHLW-UHFFFAOYSA-N 0 3 277.343 2.383 40 0 CEABHN CCn1cc(CN2CCC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257213472 190013503 /nfs/dbraw/zinc/01/35/03/190013503.db2.gz CHSKOOHPETVVGI-ZDUSSCGKSA-N 0 3 273.384 2.314 40 0 CEABHN CNc1nccnc1C[C@H]1CCCN(Cc2cccn2C)C1 ZINC000257233161 190016808 /nfs/dbraw/zinc/01/68/08/190016808.db2.gz GOBNKKCHBHQBCW-CQSZACIVSA-N 0 3 299.422 2.312 40 0 CEABHN CCn1nccc1-c1cc(C)nc([C@H]2CCCN(C)C2)n1 ZINC000257235787 190016937 /nfs/dbraw/zinc/01/69/37/190016937.db2.gz GZLNZXIDNNTHNX-ZDUSSCGKSA-N 0 3 285.395 2.478 40 0 CEABHN O[C@H]1CCN(Cc2ccc3ncccc3c2)C[C@@]12CCCO2 ZINC000257334775 190036125 /nfs/dbraw/zinc/03/61/25/190036125.db2.gz YHIQMPRHJALORW-ROUUACIJSA-N 0 3 298.386 2.351 40 0 CEABHN Cc1cc(F)ccc1CN1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108528081 394732121 /nfs/dbraw/zinc/73/21/21/394732121.db2.gz KTPWPEQSYMHQNB-HOTGVXAUSA-N 0 3 278.371 2.039 40 0 CEABHN CCc1ccc(NC(=S)NCCN(C)C)cc1 ZINC000007526542 170289161 /nfs/dbraw/zinc/28/91/61/170289161.db2.gz HDBMWHVJZZWDDX-UHFFFAOYSA-N 0 3 251.399 2.097 40 0 CEABHN Cc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000037179891 173012852 /nfs/dbraw/zinc/01/28/52/173012852.db2.gz CMKDMFWNQQCGKG-LZWOXQAQSA-N 0 3 262.397 2.412 40 0 CEABHN C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C)C1 ZINC000082337169 279019115 /nfs/dbraw/zinc/01/91/15/279019115.db2.gz KQPIBFWLXXQLNF-OCCSQVGLSA-N 0 3 258.365 2.306 40 0 CEABHN COc1ccccc1CN(C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079421037 295359722 /nfs/dbraw/zinc/35/97/22/295359722.db2.gz YRHJSKLGGXQDJM-HNNXBMFYSA-N 0 3 278.396 2.416 40 0 CEABHN N[C@H](c1n[nH]c(-c2ccc(O)cc2)n1)c1ccc(F)cc1 ZINC000095533267 185005934 /nfs/dbraw/zinc/00/59/34/185005934.db2.gz BHPXBSYAHRCSEM-ZDUSSCGKSA-N 0 3 284.294 2.365 40 0 CEABHN CN(C)Cc1c[nH]c2ncc(Br)cc12 ZINC000095830807 185029754 /nfs/dbraw/zinc/02/97/54/185029754.db2.gz HIPZAOGAROQWFZ-UHFFFAOYSA-N 0 3 254.131 2.387 40 0 CEABHN CCN1CCOC[C@@]2(CCCN(Cc3ccncc3)C2)C1 ZINC000096049602 185072967 /nfs/dbraw/zinc/07/29/67/185072967.db2.gz ROSWHBLOMLYGJU-KRWDZBQOSA-N 0 3 289.423 2.016 40 0 CEABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 ZINC000096056805 185077445 /nfs/dbraw/zinc/07/74/45/185077445.db2.gz BSKDQECSJKCUNS-IRXDYDNUSA-N 0 3 290.407 2.489 40 0 CEABHN Cc1nc(CO[C@@H]2CN(CC3CC3)[C@@H]3COC[C@H]23)cs1 ZINC000096055886 185077307 /nfs/dbraw/zinc/07/73/07/185077307.db2.gz YSBSZZSYXVCXEG-RRFJBIMHSA-N 0 3 294.420 2.077 40 0 CEABHN CCN(CC)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096056322 185077616 /nfs/dbraw/zinc/07/76/16/185077616.db2.gz ATRNIHVQBTWSIL-NFAWXSAZSA-N 0 3 295.452 2.217 40 0 CEABHN CCOc1ccccc1[C@H](CN)N1C[C@@H](C)O[C@H](C)C1 ZINC000036100785 361828279 /nfs/dbraw/zinc/82/82/79/361828279.db2.gz KUHBBCHKJVKJPO-NFAWXSAZSA-N 0 3 278.396 2.194 40 0 CEABHN CN1CCC[C@@H](Cc2cnc(Br)cn2)C1 ZINC000205706516 539185171 /nfs/dbraw/zinc/18/51/71/539185171.db2.gz XGTIAASFPAIINX-VIFPVBQESA-N 0 3 270.174 2.123 40 0 CEABHN N[C@@H]1CC(=O)N(C2CCCCC2)[C@H]1c1cccnc1 ZINC000062211078 362714864 /nfs/dbraw/zinc/71/48/64/362714864.db2.gz DEVQHIRVQKIZIX-HIFRSBDPSA-N 0 3 259.353 2.015 40 0 CEABHN Cc1cc(C)nc(NCCCNCc2ccco2)n1 ZINC000062717871 362721249 /nfs/dbraw/zinc/72/12/49/362721249.db2.gz NVJYIFSVVPICLC-UHFFFAOYSA-N 0 3 260.341 2.278 40 0 CEABHN c1ccc([C@@H]2CNCCN2Cc2ccncc2)cc1 ZINC000068696172 362944532 /nfs/dbraw/zinc/94/45/32/362944532.db2.gz IMKZPPXNAJTKHH-INIZCTEOSA-N 0 3 253.349 2.228 40 0 CEABHN COc1ccc([C@@H](C)NC[C@@H](C)[S@](C)=O)c(F)c1 ZINC000090843461 180044077 /nfs/dbraw/zinc/04/40/77/180044077.db2.gz OGVSVGURSJHESE-CLFVBBPSSA-N 0 3 273.373 2.252 40 0 CEABHN Nc1cccnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000091352096 180137680 /nfs/dbraw/zinc/13/76/80/180137680.db2.gz VCOCTBVOMHSTTI-AWEZNQCLSA-N 0 3 268.364 2.350 40 0 CEABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)N4CCCC4)[C@@H]3C2)o1 ZINC000107745899 186188820 /nfs/dbraw/zinc/18/88/20/186188820.db2.gz UYKNHDKWAUYKKS-MUJYYYPQSA-N 0 3 288.391 2.278 40 0 CEABHN CC(C)NC(=O)C[C@H]1[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000107745872 186189314 /nfs/dbraw/zinc/18/93/14/186189314.db2.gz XORUQTWUSHUEEJ-MUJYYYPQSA-N 0 3 290.382 2.418 40 0 CEABHN C1CN[C@@H](c2nc([C@H]3CCCSCC3)no2)C1 ZINC000575415044 366281230 /nfs/dbraw/zinc/28/12/30/366281230.db2.gz LXHDUNREGKZGCJ-VHSXEESVSA-N 0 3 253.371 2.495 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1cnc(Cl)s1)C1CC1 ZINC000079422143 363599514 /nfs/dbraw/zinc/59/95/14/363599514.db2.gz LIBVLEOTPUYJJF-JTQLQIEISA-N 0 3 287.816 2.271 40 0 CEABHN COc1ccc(-c2nc3ccccn3c2CN)cc1 ZINC000011570016 361359641 /nfs/dbraw/zinc/35/96/41/361359641.db2.gz ZPLHTBMVWGCOIK-UHFFFAOYSA-N 0 3 253.305 2.469 40 0 CEABHN O[C@H](CNCc1ccccc1)COC(F)(F)C(F)F ZINC000026897837 361646797 /nfs/dbraw/zinc/64/67/97/361646797.db2.gz HMVNYQOEKFJZQS-SNVBAGLBSA-N 0 3 281.249 2.012 40 0 CEABHN O[C@H](CNCc1ccccc1)COCC(F)(F)C(F)F ZINC000026897863 361647285 /nfs/dbraw/zinc/64/72/85/361647285.db2.gz ZSLJRXCSRDNBFJ-LLVKDONJSA-N 0 3 295.276 2.054 40 0 CEABHN CC(C)N(Cc1ccc(Br)cc1)C(=O)CN ZINC000032130459 361731265 /nfs/dbraw/zinc/73/12/65/361731265.db2.gz MCANIACXGMWAIO-UHFFFAOYSA-N 0 3 285.185 2.145 40 0 CEABHN Cc1noc(C)c1CN1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000096200003 364408699 /nfs/dbraw/zinc/40/86/99/364408699.db2.gz SZSGZWUITAWOMM-DLBZAZTESA-N 0 3 286.375 2.469 40 0 CEABHN CC(=O)N1CCC[C@@]2(CCN(Cc3cccc(C)n3)C2)C1 ZINC000096216307 364413420 /nfs/dbraw/zinc/41/34/20/364413420.db2.gz NKGYHDOIQSNUGZ-KRWDZBQOSA-N 0 3 287.407 2.224 40 0 CEABHN COCC[C@@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096220163 364414114 /nfs/dbraw/zinc/41/41/14/364414114.db2.gz OHTOABULIZFFKP-HNNXBMFYSA-N 0 3 290.407 2.489 40 0 CEABHN CNC(=O)C[C@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000096242924 364417309 /nfs/dbraw/zinc/41/73/09/364417309.db2.gz WDRBUNRMQXHZCZ-ZDUSSCGKSA-N 0 3 288.391 2.153 40 0 CEABHN CN1CCC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC000096268563 364420316 /nfs/dbraw/zinc/42/03/16/364420316.db2.gz BCNOKJURHQLPAE-MRXNPFEDSA-N 0 3 258.365 2.245 40 0 CEABHN O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)CN1 ZINC000108529863 364716135 /nfs/dbraw/zinc/71/61/35/364716135.db2.gz HCOCYYRQYLNSAE-UHFFFAOYSA-N 0 3 276.355 2.318 40 0 CEABHN S=C(NC1CC1)NC1CCN(Cc2cccs2)CC1 ZINC000225231031 370286700 /nfs/dbraw/zinc/28/67/00/370286700.db2.gz NZEBCJACGQHLKB-UHFFFAOYSA-N 0 3 295.477 2.339 40 0 CEABHN CCNC(=S)NC1CCN(Cc2cccs2)CC1 ZINC000225231087 370286997 /nfs/dbraw/zinc/28/69/97/370286997.db2.gz JVVRQZAQYHLMQH-UHFFFAOYSA-N 0 3 283.466 2.197 40 0 CEABHN Cc1nn(C)c2nc([C@@]3(C)CCCN(C)C3)ccc12 ZINC000257317915 371612936 /nfs/dbraw/zinc/61/29/36/371612936.db2.gz VLSCXPVBESGWGJ-HNNXBMFYSA-N 0 3 258.369 2.260 40 0 CEABHN CC[C@@H](C)n1nccc1CNCCN(CC)CC ZINC000256053522 190005170 /nfs/dbraw/zinc/00/51/70/190005170.db2.gz RTXGBJCCWLJPOE-CYBMUJFWSA-N 0 3 252.406 2.286 40 0 CEABHN O=C(Nc1ccccc1)c1conc1[C@@H]1CCCN1 ZINC000072208430 394592267 /nfs/dbraw/zinc/59/22/67/394592267.db2.gz NBGGUVLWNYRDJM-LBPRGKRZSA-N 0 3 257.293 2.351 40 0 CEABHN CCOC(=O)[C@H](CN)[C@@](C)(CC)Nc1ccccc1 ZINC000072210423 394592305 /nfs/dbraw/zinc/59/23/05/394592305.db2.gz CSLWMWGDLMDQTK-DZGCQCFKSA-N 0 3 264.369 2.405 40 0 CEABHN CC[C@@H](O)c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC000072225613 394595366 /nfs/dbraw/zinc/59/53/66/394595366.db2.gz NMNZCUYURZLUPZ-CQSZACIVSA-N 0 3 263.385 2.055 40 0 CEABHN CC(C)N1CCC[C@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257234370 394595649 /nfs/dbraw/zinc/59/56/49/394595649.db2.gz GTFQWLQYKSORQY-AWEZNQCLSA-N 0 3 257.341 2.412 40 0 CEABHN O[C@@H](COc1ccccc1F)CN1CCCCC1 ZINC000006528782 170210675 /nfs/dbraw/zinc/21/06/75/170210675.db2.gz WCYCSMDMPRSGRG-GFCCVEGCSA-N 0 3 253.317 2.051 40 0 CEABHN O=C(NCCN1CCCC1)Nc1ccc(F)cc1 ZINC000006819221 170246404 /nfs/dbraw/zinc/24/64/04/170246404.db2.gz ANVGYESCZHZERO-UHFFFAOYSA-N 0 3 251.305 2.043 40 0 CEABHN COc1ccccc1NC(=S)NC[C@@H]1CCCN(C)C1 ZINC000009876358 170388493 /nfs/dbraw/zinc/38/84/93/170388493.db2.gz SKZOXFPKXWNCEV-LBPRGKRZSA-N 0 3 293.436 2.323 40 0 CEABHN NCc1cc(-c2ccc(Br)cc2)ncn1 ZINC000020384099 171175268 /nfs/dbraw/zinc/17/52/68/171175268.db2.gz GJLGBBSKDUNNRJ-UHFFFAOYSA-N 0 3 264.126 2.365 40 0 CEABHN CCc1nccn1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000072355465 176374955 /nfs/dbraw/zinc/37/49/55/176374955.db2.gz OJSXZGGKDZJOIR-GFCCVEGCSA-N 0 3 271.368 2.034 40 0 CEABHN CN1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000072364984 176380076 /nfs/dbraw/zinc/38/00/76/176380076.db2.gz YBLXHANYXPZSNS-CYBMUJFWSA-N 0 3 269.352 2.424 40 0 CEABHN Cc1nonc1CNc1cccc(C2CCN(C)CC2)n1 ZINC000072365455 176380828 /nfs/dbraw/zinc/38/08/28/176380828.db2.gz ULOPLMKCWNNIOD-UHFFFAOYSA-N 0 3 287.367 2.194 40 0 CEABHN Cn1cccc1CN1CCC[C@H](c2cnccn2)C1 ZINC000072369366 176384098 /nfs/dbraw/zinc/38/40/98/176384098.db2.gz VIIYNUBXSVLGGR-ZDUSSCGKSA-N 0 3 256.353 2.195 40 0 CEABHN CN1CCC[C@H](c2ccnc(C(=O)N3CCCC3)c2)C1 ZINC000072387014 176392800 /nfs/dbraw/zinc/39/28/00/176392800.db2.gz MUKRORNPQQABBI-AWEZNQCLSA-N 0 3 273.380 2.127 40 0 CEABHN Cc1cc(C)nc(NCCCNCc2ccccn2)n1 ZINC000062717874 262302145 /nfs/dbraw/zinc/30/21/45/262302145.db2.gz ZTYHMYYZFLUXRI-UHFFFAOYSA-N 0 3 271.368 2.080 40 0 CEABHN c1cc(CN2CCC3(CC2)COCCN3CC2CC2)co1 ZINC000096048913 185072599 /nfs/dbraw/zinc/07/25/99/185072599.db2.gz CKKYADADJGMRMP-UHFFFAOYSA-N 0 3 290.407 2.356 40 0 CEABHN O=C1[C@H]2CN(Cc3ccco3)C[C@H]2CN1c1ccccc1 ZINC000096053570 185074422 /nfs/dbraw/zinc/07/44/22/185074422.db2.gz BGDQONXEAPMOTO-BBRMVZONSA-N 0 3 282.343 2.374 40 0 CEABHN CN1C(=O)CCC[C@]12CCCN(Cc1ccncc1)C2 ZINC000096049972 185074987 /nfs/dbraw/zinc/07/49/87/185074987.db2.gz MACGVZNIRVAHMG-MRXNPFEDSA-N 0 3 273.380 2.059 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 ZINC000096056722 185077290 /nfs/dbraw/zinc/07/72/90/185077290.db2.gz YLSCRXPAZCUAOA-JKSUJKDBSA-N 0 3 276.380 2.099 40 0 CEABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096056803 185077345 /nfs/dbraw/zinc/07/73/45/185077345.db2.gz BSKDQECSJKCUNS-SJORKVTESA-N 0 3 290.407 2.489 40 0 CEABHN c1c2c(nn1CC1CC1)[C@H](CNCc1ccncc1)OCC2 ZINC000096059755 185081668 /nfs/dbraw/zinc/08/16/68/185081668.db2.gz OBLOIHVNLLTNHM-INIZCTEOSA-N 0 3 298.390 2.092 40 0 CEABHN C[C@@H](CNCc1ccccn1)C(=O)OC(C)(C)C ZINC000047219082 362201991 /nfs/dbraw/zinc/20/19/91/362201991.db2.gz CQJJEGFWAKINIZ-NSHDSACASA-N 0 3 250.342 2.149 40 0 CEABHN N[C@@H](C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409440111 344889490 /nfs/dbraw/zinc/88/94/90/344889490.db2.gz JPBIMQFWRADWCT-STQMWFEESA-N 0 3 282.771 2.279 40 0 CEABHN CCOc1ccc(C(=O)NCCN(C)C)cc1Cl ZINC000059400251 362648308 /nfs/dbraw/zinc/64/83/08/362648308.db2.gz GVRZWWDPZAKRAB-UHFFFAOYSA-N 0 3 270.760 2.030 40 0 CEABHN N[C@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1 ZINC000062211079 362714895 /nfs/dbraw/zinc/71/48/95/362714895.db2.gz DEVQHIRVQKIZIX-DZGCQCFKSA-N 0 3 259.353 2.015 40 0 CEABHN CC[N@@H+](CC(=O)[O-])CC1CCN(Cc2ccccc2)CC1 ZINC000079393403 363593866 /nfs/dbraw/zinc/59/38/66/363593866.db2.gz CVOLWZGWEAXELW-UHFFFAOYSA-N 0 3 290.407 2.305 40 0 CEABHN CC[N@H+](CC(=O)[O-])CC1CCN(Cc2ccccc2)CC1 ZINC000079393403 363593869 /nfs/dbraw/zinc/59/38/69/363593869.db2.gz CVOLWZGWEAXELW-UHFFFAOYSA-N 0 3 290.407 2.305 40 0 CEABHN Cc1ccc(C(=O)C(CN(C)C)CN(C)C)cc1C ZINC000001580570 361210184 /nfs/dbraw/zinc/21/01/84/361210184.db2.gz IJFMPZNZNFHTBS-UHFFFAOYSA-N 0 3 262.397 2.226 40 0 CEABHN COCCCNCC(=O)Nc1cccc(Cl)c1C ZINC000001668547 361215156 /nfs/dbraw/zinc/21/51/56/361215156.db2.gz LPPIANIDQHTGKU-UHFFFAOYSA-N 0 3 270.760 2.213 40 0 CEABHN Cc1cc(=O)[n-]c(NC(=[NH2+])Nc2ccc(C)c(Cl)c2)n1 ZINC000013634082 361434815 /nfs/dbraw/zinc/43/48/15/361434815.db2.gz PUJSMCRNKAGZJM-UHFFFAOYSA-N 0 3 291.742 2.499 40 0 CEABHN COC(=O)CC1CCN(Cc2ccccc2OC)CC1 ZINC000015423843 361472393 /nfs/dbraw/zinc/47/23/93/361472393.db2.gz MIGLUEIPVMTWIS-UHFFFAOYSA-N 0 3 277.364 2.470 40 0 CEABHN O=c1[nH]ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000016958076 361500071 /nfs/dbraw/zinc/50/00/71/361500071.db2.gz YHOCYABAYHCXQW-UHFFFAOYSA-N 0 3 274.364 2.139 40 0 CEABHN COc1ccccc1CN1C[C@H]2CCc3nnc(C)n3[C@H]2C1 ZINC000019288367 361526991 /nfs/dbraw/zinc/52/69/91/361526991.db2.gz JOPYEFMYLFPKTQ-HIFRSBDPSA-N 0 3 298.390 2.214 40 0 CEABHN O[C@H](CNCc1ccccc1)COCc1ccccc1 ZINC000026897885 361646998 /nfs/dbraw/zinc/64/69/98/361646998.db2.gz RBWDXIHJXAZLIR-QGZVFWFLSA-N 0 3 271.360 2.354 40 0 CEABHN O[C@H](Cc1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000031688608 361717558 /nfs/dbraw/zinc/71/75/58/361717558.db2.gz WTIYVDBHKOAGAR-LJQANCHMSA-N 0 3 296.414 2.412 40 0 CEABHN NCc1cncn1Cc1ccc(Br)cc1 ZINC000085196702 363831293 /nfs/dbraw/zinc/83/12/93/363831293.db2.gz NPPACSADRBYJLF-UHFFFAOYSA-N 0 3 266.142 2.153 40 0 CEABHN NCc1cncn1Cc1cccc(C(F)(F)F)c1 ZINC000090240290 364050630 /nfs/dbraw/zinc/05/06/30/364050630.db2.gz MVTDMSSONSELRL-UHFFFAOYSA-N 0 3 255.243 2.409 40 0 CEABHN COc1ccc(CN2CCC3(C[C@@H](OC)CO3)CC2)cc1 ZINC000096158772 364403546 /nfs/dbraw/zinc/40/35/46/364403546.db2.gz HQMKVCBVJCZRBN-MRXNPFEDSA-N 0 3 291.391 2.465 40 0 CEABHN CN(C)[C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1Cc1cccnc1 ZINC000096200859 364410252 /nfs/dbraw/zinc/41/02/52/364410252.db2.gz RRHQCJAZMBSRID-SJORKVTESA-N 0 3 299.418 2.121 40 0 CEABHN COc1ncnc2c1CCN(Cc1ccccc1)CC2 ZINC000096255562 364417812 /nfs/dbraw/zinc/41/78/12/364417812.db2.gz INZVDFYXZHHNJY-UHFFFAOYSA-N 0 3 269.348 2.086 40 0 CEABHN Cn1cc(Cc2ccccc2Br)nc1N ZINC000199550707 370149161 /nfs/dbraw/zinc/14/91/61/370149161.db2.gz WRAOZCZCPICXPG-UHFFFAOYSA-N 0 3 266.142 2.356 40 0 CEABHN CC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225601672 370306832 /nfs/dbraw/zinc/30/68/32/370306832.db2.gz GDRZQERMPANLFV-MRXNPFEDSA-N 0 3 294.395 2.381 40 0 CEABHN CCN1CCC(NC(=O)c2ccc(F)s2)CC1 ZINC000252509701 371449778 /nfs/dbraw/zinc/44/97/78/371449778.db2.gz YTOKLCIHDALDTM-UHFFFAOYSA-N 0 3 256.346 2.101 40 0 CEABHN c1cncc(O[C@H]2CSC3(CN(CC4CC4)C3)C2)c1 ZINC000253590735 371530671 /nfs/dbraw/zinc/53/06/71/371530671.db2.gz DZAUWGCLFHIUHB-CQSZACIVSA-N 0 3 276.405 2.430 40 0 CEABHN CN1CCC[C@@H](c2cnc(N3C(=O)OCC3(C)C)cn2)C1 ZINC000257271769 371611141 /nfs/dbraw/zinc/61/11/41/371611141.db2.gz MZSJKJUMUWFJDB-LLVKDONJSA-N 0 3 290.367 2.021 40 0 CEABHN Cc1nn(C)c2nc([C@]3(C)CCCN(C)C3)ccc12 ZINC000257317916 371613423 /nfs/dbraw/zinc/61/34/23/371613423.db2.gz VLSCXPVBESGWGJ-OAHLLOKOSA-N 0 3 258.369 2.260 40 0 CEABHN CN1CCC(c2ccnc(Nc3ncccn3)c2)CC1 ZINC000257206476 190011356 /nfs/dbraw/zinc/01/13/56/190011356.db2.gz BDQVJXVLDQUZSG-UHFFFAOYSA-N 0 3 269.352 2.424 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3cnn(C)c3C)C2)c1 ZINC000257256951 190021451 /nfs/dbraw/zinc/02/14/51/190021451.db2.gz KNNCHKCZQXOZGN-AWEZNQCLSA-N 0 3 299.422 2.463 40 0 CEABHN CCn1nccc1-c1cnc(C[C@H]2CCCN(C)C2)cn1 ZINC000257286437 190026698 /nfs/dbraw/zinc/02/66/98/190026698.db2.gz PLPILFNRIWDLCW-CYBMUJFWSA-N 0 3 285.395 2.244 40 0 CEABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2ccnc(C)n2)C1 ZINC000257308614 190030874 /nfs/dbraw/zinc/03/08/74/190030874.db2.gz TXJQPROJDQSXQR-CQSZACIVSA-N 0 3 285.395 2.271 40 0 CEABHN c1csc([N-]c2cnc([C@H]3CCC[NH2+]C3)cn2)n1 ZINC000257335222 190036657 /nfs/dbraw/zinc/03/66/57/190036657.db2.gz YJELNMAJGQOLNF-VIFPVBQESA-N 0 3 261.354 2.144 40 0 CEABHN CC(C)CN1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 ZINC000306133326 376541527 /nfs/dbraw/zinc/54/15/27/376541527.db2.gz MILOUHMKHQMEJO-DZGCQCFKSA-N 0 3 273.380 2.491 40 0 CEABHN Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1C ZINC000072219414 256707781 /nfs/dbraw/zinc/70/77/81/256707781.db2.gz DFYMOXQTQOPXJI-HNNXBMFYSA-N 0 3 275.396 2.383 40 0 CEABHN CN(C[C@H]1CCCCC1=O)C[C@@H]1CCCCC1=O ZINC000001706453 394452255 /nfs/dbraw/zinc/45/22/55/394452255.db2.gz AHSWXWCMUKTJBE-BETUJISGSA-N 0 3 251.370 2.437 40 0 CEABHN NC[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000037424722 394496582 /nfs/dbraw/zinc/49/65/82/394496582.db2.gz SRTIZPOTUYBHDX-GFCCVEGCSA-N 0 3 275.179 2.325 40 0 CEABHN CCN1CCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219391 394594464 /nfs/dbraw/zinc/59/44/64/394594464.db2.gz UZIOCKPUEFRHDM-OAHLLOKOSA-N 0 3 275.396 2.383 40 0 CEABHN c1cncc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019831965 400105413 /nfs/dbraw/zinc/10/54/13/400105413.db2.gz UAVRMXCIFDPFTP-UAGQMJEPSA-N 0 3 271.408 2.388 40 0 CEABHN O=C(OCCC[NH+]1CCCCC1)c1ccc([O-])cc1O ZINC000005943968 170160635 /nfs/dbraw/zinc/16/06/35/170160635.db2.gz QQNKZKZMHHWPRG-UHFFFAOYSA-N 0 3 279.336 2.131 40 0 CEABHN CC(C)(C)OC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000022014034 171349044 /nfs/dbraw/zinc/34/90/44/171349044.db2.gz USHPJFZLSLVQET-ZDUSSCGKSA-N 0 3 262.353 2.226 40 0 CEABHN CCOc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022166638 171366129 /nfs/dbraw/zinc/36/61/29/171366129.db2.gz KZMZFCSIRMTEJX-HEHGZKQESA-N 0 3 278.396 2.194 40 0 CEABHN O=C(CNC1CC1)Nc1ccccc1C(F)(F)F ZINC000037386720 173169845 /nfs/dbraw/zinc/16/98/45/173169845.db2.gz GMQGLOOLKCFMSL-UHFFFAOYSA-N 0 3 258.243 2.396 40 0 CEABHN CCN(CC)[C@H](CN)c1cc(OC)ccc1OC ZINC000038827612 174156658 /nfs/dbraw/zinc/15/66/58/174156658.db2.gz XIUMYHQBPVYCLZ-CYBMUJFWSA-N 0 3 252.358 2.045 40 0 CEABHN CCc1nccn1-c1nccnc1[C@H]1CCCN(C)C1 ZINC000072350496 176373402 /nfs/dbraw/zinc/37/34/02/176373402.db2.gz FFTLGYUFGDLTDH-LBPRGKRZSA-N 0 3 271.368 2.034 40 0 CEABHN CC(=O)N1c2ccc(Br)cc2C(=O)C1C ZINC000005004333 277021481 /nfs/dbraw/zinc/02/14/81/277021481.db2.gz ROGCZEILBBXWBX-LURJTMIESA-N 0 3 268.110 2.387 40 0 CEABHN CC(C)[C@@H]([NH3+])c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000095534795 185007903 /nfs/dbraw/zinc/00/79/03/185007903.db2.gz MCLWZLOWZUOCCX-MRVPVSSYSA-N 0 3 285.145 2.483 40 0 CEABHN CCO[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048098 185072426 /nfs/dbraw/zinc/07/24/26/185072426.db2.gz FQQOKWMAZXNRDL-CQSZACIVSA-N 0 3 265.353 2.440 40 0 CEABHN O=C1C[C@]2(CCN(Cc3ccoc3)C2)CN1c1ccccn1 ZINC000096050787 185075115 /nfs/dbraw/zinc/07/51/15/185075115.db2.gz UULUUCMSLMACPF-KRWDZBQOSA-N 0 3 297.358 2.304 40 0 CEABHN c1ccc(CO[C@@H]2CN(CC3CC3)[C@H]3CCCO[C@@H]23)nc1 ZINC000096058160 185078776 /nfs/dbraw/zinc/07/87/76/185078776.db2.gz FGUFNSSWVQECAT-GVDBMIGSSA-N 0 3 288.391 2.240 40 0 CEABHN O[C@H]1CCN(Cc2cccs2)[C@H]1Cc1cccnc1 ZINC000096061632 185083176 /nfs/dbraw/zinc/08/31/76/185083176.db2.gz YPWUYYGQDDDCOQ-GJZGRUSLSA-N 0 3 274.389 2.321 40 0 CEABHN CC(C)[C@H](N)C(=O)NCc1ccc(Br)cc1 ZINC000042238458 362072815 /nfs/dbraw/zinc/07/28/15/362072815.db2.gz FSQPILAXUJBECJ-NSHDSACASA-N 0 3 285.185 2.049 40 0 CEABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)CC12CC2 ZINC000148843135 344414539 /nfs/dbraw/zinc/41/45/39/344414539.db2.gz JEZLFPHQDRWQJL-CQSZACIVSA-N 0 3 259.349 2.462 40 0 CEABHN O=C1[C@@H]2CN(Cc3ccccn3)C[C@@H]2CN1c1ccccc1 ZINC000107742910 186188896 /nfs/dbraw/zinc/18/88/96/186188896.db2.gz CEDUHCXFNALMTE-RHSMWYFYSA-N 0 3 293.370 2.176 40 0 CEABHN Cc1nc([C@@H]2CCCN2C2CCCCC2)ncc1C(N)=O ZINC000072345419 363130074 /nfs/dbraw/zinc/13/00/74/363130074.db2.gz NKZPAILZPDZDOF-AWEZNQCLSA-N 0 3 288.395 2.354 40 0 CEABHN NC[C@@H](c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000019518092 361542209 /nfs/dbraw/zinc/54/22/09/361542209.db2.gz XJGRQFMBDQFKHP-NSHDSACASA-N 0 3 275.179 2.325 40 0 CEABHN O=C(c1cccc(C(F)(F)F)c1)N1CCCNCC1 ZINC000019392573 361530051 /nfs/dbraw/zinc/53/00/51/361530051.db2.gz STJNUBDPLBXZNE-UHFFFAOYSA-N 0 3 272.270 2.141 40 0 CEABHN COc1cccc(OC[C@@H](O)CNCc2ccccc2)c1 ZINC000032139957 361731411 /nfs/dbraw/zinc/73/14/11/361731411.db2.gz PGMSLVAJQOSOTG-HNNXBMFYSA-N 0 3 287.359 2.225 40 0 CEABHN Cc1cccc(CN2CCC3(CN(CC4CC4)C3=O)CC2)n1 ZINC000096202855 364411558 /nfs/dbraw/zinc/41/15/58/364411558.db2.gz LERXCDSBOSQUDM-UHFFFAOYSA-N 0 3 299.418 2.224 40 0 CEABHN CN1C(=O)CCC12CCN(Cc1cccs1)CC2 ZINC000096228009 364414978 /nfs/dbraw/zinc/41/49/78/364414978.db2.gz BWKNWDVFPTUPCA-UHFFFAOYSA-N 0 3 264.394 2.335 40 0 CEABHN c1coc(CN2CC[C@H]3OCCN(CC4CC4)[C@H]3CC2)c1 ZINC000096249303 364416130 /nfs/dbraw/zinc/41/61/30/364416130.db2.gz OXKNUNVMFCNJIV-DLBZAZTESA-N 0 3 290.407 2.355 40 0 CEABHN COCCN1CCc2ncnc(-c3ccccc3)c2CC1 ZINC000096255372 364418471 /nfs/dbraw/zinc/41/84/71/364418471.db2.gz RLAVLYONHDQYGJ-UHFFFAOYSA-N 0 3 283.375 2.191 40 0 CEABHN CC(C)[C@@H](N)c1nnc2ccc(-c3ccccc3)nn21 ZINC000217564262 370197825 /nfs/dbraw/zinc/19/78/25/370197825.db2.gz HTJBMJZCQHHDLN-CQSZACIVSA-N 0 3 267.336 2.447 40 0 CEABHN CCN1CC[C@@]2(c3ccccc3)CCN(C(C)=O)C[C@@H]12 ZINC000247898983 371145592 /nfs/dbraw/zinc/14/55/92/371145592.db2.gz ADFKGDUQBPZDFV-SJORKVTESA-N 0 3 272.392 2.271 40 0 CEABHN CC[C@H](C)n1nccc1CNCCN(CC)CC ZINC000256053523 190004701 /nfs/dbraw/zinc/00/47/01/190004701.db2.gz RTXGBJCCWLJPOE-ZDUSSCGKSA-N 0 3 252.406 2.286 40 0 CEABHN Cc1ccnc([C@H]2CCN(Cc3cccn3C)C2)n1 ZINC000257212425 190013193 /nfs/dbraw/zinc/01/31/93/190013193.db2.gz CDIOVHLEUBIEFR-ZDUSSCGKSA-N 0 3 256.353 2.113 40 0 CEABHN CCn1nccc1-c1cc([C@@H]2CCCN2C)nc(C)n1 ZINC000257223443 190015011 /nfs/dbraw/zinc/01/50/11/190015011.db2.gz DXJFVLHENFHJTA-AWEZNQCLSA-N 0 3 271.368 2.435 40 0 CEABHN CCn1nccc1-c1cncc([C@@H]2CCCN2C)n1 ZINC000257243295 190018826 /nfs/dbraw/zinc/01/88/26/190018826.db2.gz IGGJMFCIBRWUQO-ZDUSSCGKSA-N 0 3 257.341 2.127 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3cncn3C)C2)c1 ZINC000257271531 190023792 /nfs/dbraw/zinc/02/37/92/190023792.db2.gz MYRNTEVPBFDTBB-CYBMUJFWSA-N 0 3 285.395 2.155 40 0 CEABHN Cc1c[nH]nc1[C@H]1CCN(Cc2ccc(C)nc2)C1 ZINC000257285044 190026923 /nfs/dbraw/zinc/02/69/23/190026923.db2.gz PFKBCBBBYLFGGM-AWEZNQCLSA-N 0 3 256.353 2.411 40 0 CEABHN Cc1ccnc([C@@H]2CCN(Cc3ncccc3C)C2)n1 ZINC000257332127 190035260 /nfs/dbraw/zinc/03/52/60/190035260.db2.gz XVWFXHFDFMEDPA-CQSZACIVSA-N 0 3 268.364 2.478 40 0 CEABHN CCN(CC)C[C@]1(C)NN=C2C(n3cccc3)=CC=CN21 ZINC000001609102 284735430 /nfs/dbraw/zinc/73/54/30/284735430.db2.gz GNFHBUATZXYEPB-MRXNPFEDSA-N 0 3 285.395 2.133 40 0 CEABHN Cc1cc(-c2cc(C)nc([C@H]3CCCN(C)C3)n2)n[nH]1 ZINC000257258288 394595624 /nfs/dbraw/zinc/59/56/24/394595624.db2.gz KTEIRCCEZJDBSZ-LBPRGKRZSA-N 0 3 271.368 2.293 40 0 CEABHN CN1CCC[C@@H](Nc2cncc(Br)c2)C1 ZINC000096510503 394694190 /nfs/dbraw/zinc/69/41/90/394694190.db2.gz UGBBFMZUPNGDOF-SNVBAGLBSA-N 0 3 270.174 2.350 40 0 CEABHN Nc1ncc(-c2ccccc2)c([C@H]2CCCCN2CCO)n1 ZINC000072354571 176375010 /nfs/dbraw/zinc/37/50/10/176375010.db2.gz DJYSVJGZYVLTEV-OAHLLOKOSA-N 0 3 298.390 2.245 40 0 CEABHN CN1CCC[C@@H](c2cnc(Nc3nccs3)cn2)C1 ZINC000072361544 176377781 /nfs/dbraw/zinc/37/77/81/176377781.db2.gz LRKNQVBPEFZRQM-SNVBAGLBSA-N 0 3 275.381 2.486 40 0 CEABHN Cc1cc(C)nc([N-]c2cncc([C@H]3CCC[NH2+]3)n2)n1 ZINC000072376507 176385234 /nfs/dbraw/zinc/38/52/34/176385234.db2.gz YKKZBGGRSQBPER-LLVKDONJSA-N 0 3 270.340 2.052 40 0 CEABHN CN1CCC(C(=O)NCCCc2ccccc2)CC1 ZINC000074713279 176603329 /nfs/dbraw/zinc/60/33/29/176603329.db2.gz LWNVWHPZCSCPII-UHFFFAOYSA-N 0 3 260.381 2.077 40 0 CEABHN Brc1ccc2snc(N3CCNCC3)c2c1 ZINC000329013569 273475351 /nfs/dbraw/zinc/47/53/51/273475351.db2.gz MQRFPDQZBNNKCS-UHFFFAOYSA-N 0 3 298.209 2.468 40 0 CEABHN Cc1cc(-c2cc([C@H]3CCCCN3)nc(C)n2)n[nH]1 ZINC000257316945 280284695 /nfs/dbraw/zinc/28/46/95/280284695.db2.gz VHRHEVCAAFDOOJ-LLVKDONJSA-N 0 3 257.341 2.298 40 0 CEABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccco2)N1Cc1ccncc1 ZINC000096055672 185075363 /nfs/dbraw/zinc/07/53/63/185075363.db2.gz PHMKLVMOKRBPNK-JKSUJKDBSA-N 0 3 297.358 2.050 40 0 CEABHN COc1ncccc1CN1CC[C@@H]2O[C@@H](C)C[C@H]2C1 ZINC000096070513 185085697 /nfs/dbraw/zinc/08/56/97/185085697.db2.gz RRRVNUSHBZVOTM-UBHSHLNASA-N 0 3 262.353 2.090 40 0 CEABHN O=C(Cc1cccs1)N1CC[C@@]2(CCN2CC2CC2)C1 ZINC000096076004 185089499 /nfs/dbraw/zinc/08/94/99/185089499.db2.gz FHZNXFYBJNEPKR-MRXNPFEDSA-N 0 3 290.432 2.377 40 0 CEABHN Cc1nc(NCCO)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329042609 136377594 /nfs/dbraw/zinc/37/75/94/136377594.db2.gz SOYBEKZQZPRYHW-LBPRGKRZSA-N 0 3 298.390 2.140 40 0 CEABHN Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccco3)C2)o1 ZINC000049170461 362343186 /nfs/dbraw/zinc/34/31/86/362343186.db2.gz YJEQAJXIBXAHCU-NSHDSACASA-N 0 3 299.334 2.053 40 0 biogenic,in-vitro CEABHN O=C1C[C@H]2[C@@H](CCN2CC2CC2)N1c1ccsc1 ZINC000096184146 344238901 /nfs/dbraw/zinc/23/89/01/344238901.db2.gz NMRYPNDWZVQNNK-OLZOCXBDSA-N 0 3 262.378 2.338 40 0 CEABHN CCN1CC[C@]2(CCCN(Cc3ccncc3)CC2)C1=O ZINC000108528546 186220613 /nfs/dbraw/zinc/22/06/13/186220613.db2.gz SDLPMSZZJVONON-QGZVFWFLSA-N 0 3 287.407 2.306 40 0 CEABHN CN1CCC(C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000074713475 363375064 /nfs/dbraw/zinc/37/50/64/363375064.db2.gz JREJNNMBPOCNSN-UHFFFAOYSA-N 0 3 254.280 2.245 40 0 CEABHN CN1CCC(CC(=O)Nc2ccccc2F)CC1 ZINC000074921001 363418880 /nfs/dbraw/zinc/41/88/80/363418880.db2.gz WPTPXKLXSQKWFH-UHFFFAOYSA-N 0 3 250.317 2.496 40 0 CEABHN CCOc1cncc(N2CC[C@]3(C[C@H]4CCN3C4)C2)c1 ZINC000079042108 363568053 /nfs/dbraw/zinc/56/80/53/363568053.db2.gz LJMVVAMADGFENL-CJNGLKHVSA-N 0 3 273.380 2.155 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)nc1)C1CC1 ZINC000079421683 363598642 /nfs/dbraw/zinc/59/86/42/363598642.db2.gz VGEPJCRSAPDOSY-ZDUSSCGKSA-N 0 3 281.787 2.209 40 0 CEABHN CCN(Cc1ccc(F)cc1)C(=O)[C@@H](N)C(C)C ZINC000079420382 363598751 /nfs/dbraw/zinc/59/87/51/363598751.db2.gz WOFFNQHNGFLLSL-ZDUSSCGKSA-N 0 3 252.333 2.158 40 0 CEABHN CCCCOc1ccc(C(=O)OCCN(C)C)cc1N ZINC000001656304 361214924 /nfs/dbraw/zinc/21/49/24/361214924.db2.gz IHSKDQMERPBXDQ-UHFFFAOYSA-N 0 3 280.368 2.166 40 0 CEABHN CN(C)CCNC(=O)/C=C/c1ccccc1Cl ZINC000003069617 361262422 /nfs/dbraw/zinc/26/24/22/361262422.db2.gz NHOMOHUVMWLSJU-BQYQJAHWSA-N 0 3 252.745 2.031 40 0 CEABHN O[C@@H](CNCc1ccccc1)COCc1ccccc1 ZINC000026897882 361646915 /nfs/dbraw/zinc/64/69/15/361646915.db2.gz RBWDXIHJXAZLIR-KRWDZBQOSA-N 0 3 271.360 2.354 40 0 CEABHN NCC1(F)CCN(C(=O)OCc2ccccc2)CC1 ZINC000085224736 363832796 /nfs/dbraw/zinc/83/27/96/363832796.db2.gz IJUVVFGCZRZNFB-UHFFFAOYSA-N 0 3 266.316 2.086 40 0 CEABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096158732 364403184 /nfs/dbraw/zinc/40/31/84/364403184.db2.gz XAJTUADEZBHDJL-HNNXBMFYSA-N 0 3 276.380 2.242 40 0 CEABHN c1ncn2c1CN(CC1CC1)C[C@H](COc1cccnc1)C2 ZINC000096209342 364412961 /nfs/dbraw/zinc/41/29/61/364412961.db2.gz ZOWFYNIPKFWMFH-HNNXBMFYSA-N 0 3 298.390 2.199 40 0 CEABHN CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096215942 364413431 /nfs/dbraw/zinc/41/34/31/364413431.db2.gz SBPFMWIHTIFWCI-INIZCTEOSA-N 0 3 276.380 2.422 40 0 CEABHN Cn1nc(COCC2CC2)c2c1CN(CC1CC1)CC2 ZINC000096259895 364418621 /nfs/dbraw/zinc/41/86/21/364418621.db2.gz ODJDBABHMNNHON-UHFFFAOYSA-N 0 3 275.396 2.115 40 0 CEABHN COc1cccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000096268567 364420847 /nfs/dbraw/zinc/42/08/47/364420847.db2.gz PDEJUARFCIHTIZ-QGZVFWFLSA-N 0 3 288.391 2.253 40 0 CEABHN COc1cccc(CCNCc2c(C)cnn2C)c1 ZINC000256051107 190003981 /nfs/dbraw/zinc/00/39/81/190003981.db2.gz HSXUZCXGHRZQKZ-UHFFFAOYSA-N 0 3 259.353 2.069 40 0 CEABHN Cc1nn(C2CCCC2)cc1CNCCCCO ZINC000256053083 190004164 /nfs/dbraw/zinc/00/41/64/190004164.db2.gz PWXRKRKKKKJBTA-UHFFFAOYSA-N 0 3 251.374 2.169 40 0 CEABHN COc1ccccc1[C@H]1CNCCN1Cc1cscn1 ZINC000257226989 190015538 /nfs/dbraw/zinc/01/55/38/190015538.db2.gz FNCZINOHHLBTEF-CQSZACIVSA-N 0 3 289.404 2.298 40 0 CEABHN CC(C)N1CCC[C@@H](c2nccnc2-c2ccnn2C)C1 ZINC000257229032 190016229 /nfs/dbraw/zinc/01/62/29/190016229.db2.gz FWKKCMXBDLXBSK-CYBMUJFWSA-N 0 3 285.395 2.465 40 0 CEABHN COc1ccc([C@@H]2CNCCN2Cc2nccs2)cc1 ZINC000257310224 190032017 /nfs/dbraw/zinc/03/20/17/190032017.db2.gz UEFYZNLMYDWBBJ-AWEZNQCLSA-N 0 3 289.404 2.298 40 0 CEABHN C[C@]12CCCCN(Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257344622 190037840 /nfs/dbraw/zinc/03/78/40/190037840.db2.gz ZYADBCGDUUHAAJ-RDJZCZTQSA-N 0 3 287.407 2.495 40 0 CEABHN Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000306143061 376542456 /nfs/dbraw/zinc/54/24/56/376542456.db2.gz XSCCDNOAKBMWMR-UONOGXRCSA-N 0 3 274.364 2.287 40 0 CEABHN O=C1N[C@H]2c3c(Cl)sc(Cl)c3C(=O)C2O1 ZINC000005842574 296397695 /nfs/dbraw/zinc/39/76/95/296397695.db2.gz BYWUOXFHZWXCQT-UCORVYFPSA-N 0 3 264.089 2.401 40 0 CEABHN Cc1cc(N2CCNCC2)ncc1C(=O)c1ccccc1 ZINC000072223574 394594675 /nfs/dbraw/zinc/59/46/75/394594675.db2.gz OVYYOPZSDOIADB-UHFFFAOYSA-N 0 3 281.359 2.031 40 0 CEABHN CNC1(c2nnnn2-c2cccc(Cl)c2)CCCC1 ZINC000005525956 170108627 /nfs/dbraw/zinc/10/86/27/170108627.db2.gz GHMSZVCDGCKWGB-UHFFFAOYSA-N 0 3 277.759 2.304 40 0 CEABHN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCN(C)C ZINC000010111497 170397708 /nfs/dbraw/zinc/39/77/08/170397708.db2.gz ARHWIZNXDCLEKH-SNVBAGLBSA-N 0 3 286.828 2.498 40 0 CEABHN CC(=O)N1CCC2(CC1)CN(C)CC[C@H]2C(F)(F)F ZINC000299842096 419473376 /nfs/dbraw/zinc/47/33/76/419473376.db2.gz CWVGBWMCWVSQKF-LLVKDONJSA-N 0 3 278.318 2.129 40 0 CEABHN CCSc1ncc(CNCCCOC(C)C)cn1 ZINC000062717325 262299007 /nfs/dbraw/zinc/29/90/07/262299007.db2.gz QQHIJVROTVEKFT-UHFFFAOYSA-N 0 3 269.414 2.493 40 0 CEABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccccn1 ZINC000257269818 277071009 /nfs/dbraw/zinc/07/10/09/277071009.db2.gz MRNFHBVRLGNJJM-HOCLYGCPSA-N 0 3 273.380 2.171 40 0 CEABHN CNC(=O)c1sc2nc([C@@H]3CCCCN3)ccc2c1N ZINC000257309449 277262525 /nfs/dbraw/zinc/26/25/25/277262525.db2.gz UAZPVYVTKONSEA-VIFPVBQESA-N 0 3 290.392 2.053 40 0 CEABHN C[C@@H](O)c1ccc(-c2ccc(CNCCO)o2)cc1 ZINC000007540820 533863661 /nfs/dbraw/zinc/86/36/61/533863661.db2.gz HDVUQKABCCYKEW-LLVKDONJSA-N 0 3 261.321 2.082 40 0 CEABHN COc1cccc([C@H](N)c2nnc(C(C)(C)C)[nH]2)c1 ZINC000095533593 185005551 /nfs/dbraw/zinc/00/55/51/185005551.db2.gz YYLQPGMJCYOWCG-NSHDSACASA-N 0 3 260.341 2.159 40 0 CEABHN COc1cccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)c1 ZINC000095533593 185005552 /nfs/dbraw/zinc/00/55/52/185005552.db2.gz YYLQPGMJCYOWCG-NSHDSACASA-N 0 3 260.341 2.159 40 0 CEABHN Cc1ccc([C@@H](N)c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095534163 185007237 /nfs/dbraw/zinc/00/72/37/185007237.db2.gz HCUJANFHYXUBON-NWDGAFQWSA-N 0 3 258.325 2.013 40 0 CEABHN c1ccc(OC[C@@H]2C[C@H]3OCCN(CC4CC4)[C@H]3C2)nc1 ZINC000096055495 185076838 /nfs/dbraw/zinc/07/68/38/185076838.db2.gz NMVZUPDNUAFYQR-HRCADAONSA-N 0 3 288.391 2.350 40 0 CEABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000096056807 185077992 /nfs/dbraw/zinc/07/79/92/185077992.db2.gz QGEMVTUHWNOLFE-SJORKVTESA-N 0 3 290.407 2.489 40 0 CEABHN c1coc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 ZINC000096108712 185099578 /nfs/dbraw/zinc/09/95/78/185099578.db2.gz KOELHJANHOXOHI-GDBMZVCRSA-N 0 3 277.364 2.155 40 0 CEABHN C[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037805006 361946066 /nfs/dbraw/zinc/94/60/66/361946066.db2.gz SYXPUPAUJPEOMY-ZETCQYMHSA-N 0 3 261.152 2.299 40 0 CEABHN Cc1cccc(CN(C(=O)[C@@H](N)C(C)C)C2CC2)c1 ZINC000037807752 361946589 /nfs/dbraw/zinc/94/65/89/361946589.db2.gz ANVJZDVPGKUSHE-HNNXBMFYSA-N 0 3 260.381 2.469 40 0 CEABHN O=C(OCc1ccccc1)N1CC(F)(F)[C@]12CCCNC2 ZINC000117618664 344289917 /nfs/dbraw/zinc/28/99/17/344289917.db2.gz PYAOGDWGERYWOJ-CQSZACIVSA-N 0 3 296.317 2.396 40 0 CEABHN Cc1nnc2n1[C@H]1CN(Cc3cccc(F)c3)C[C@H]1CC2 ZINC000019288362 282365751 /nfs/dbraw/zinc/36/57/51/282365751.db2.gz GMLMMRFTSGQNJI-HIFRSBDPSA-N 0 3 286.354 2.345 40 0 CEABHN Cc1cc(=O)oc2c(NC(=O)[C@@H](N)CC(C)C)cccc12 ZINC000584577846 344958910 /nfs/dbraw/zinc/95/89/10/344958910.db2.gz GGCPXDAJWFPGIK-LBPRGKRZSA-N 0 3 288.347 2.413 40 0 CEABHN Cc1cc(N2CCNCC2)nc(-c2ccc(F)cc2)n1 ZINC000058047076 362605803 /nfs/dbraw/zinc/60/58/03/362605803.db2.gz WVJLEWZUCCIGSK-UHFFFAOYSA-N 0 3 272.327 2.001 40 0 CEABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)NC(C)C)[C@@H]3C2)o1 ZINC000107745863 186189126 /nfs/dbraw/zinc/18/91/26/186189126.db2.gz FUMGOZUSSWVVSF-QDMKHBRRSA-N 0 3 276.380 2.181 40 0 CEABHN CCOC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000073381388 363214626 /nfs/dbraw/zinc/21/46/26/363214626.db2.gz RZDPTCZYEIQELI-LBPRGKRZSA-N 0 3 290.363 2.144 40 0 CEABHN CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000074707327 363373872 /nfs/dbraw/zinc/37/38/72/363373872.db2.gz DNQZFLPCVNCERO-UHFFFAOYSA-N 0 3 266.772 2.298 40 0 CEABHN CC1CCN(C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000000249885 361152239 /nfs/dbraw/zinc/15/22/39/361152239.db2.gz IBDZWWPLDGLSNK-AWEZNQCLSA-N 0 3 267.344 2.297 40 0 CEABHN CC(=O)O[C@H]1CCN(Cc2ccco2)[C@H](C)[C@@H]1C ZINC000001080750 361198862 /nfs/dbraw/zinc/19/88/62/361198862.db2.gz HAVUOHMCCLLASZ-WDMOLILDSA-N 0 3 251.326 2.442 40 0 CEABHN Cc1cc(C)nc(N=NCC(C)c2ccccn2)n1 ZINC000003136244 361264586 /nfs/dbraw/zinc/26/45/86/361264586.db2.gz ACGPAZSUHYUDQA-MDZDMXLPSA-N 0 3 255.325 2.466 40 0 CEABHN Cc1[nH]c2c(cccc2C)c1CC(=O)N(C)CCN(C)C ZINC000012345986 361378945 /nfs/dbraw/zinc/37/89/45/361378945.db2.gz BBCAGUGITWXEBE-UHFFFAOYSA-N 0 3 287.407 2.347 40 0 CEABHN COc1cc(OC)cc([C@H](CN)N2CCCCC2)c1 ZINC000019840937 361561046 /nfs/dbraw/zinc/56/10/46/361561046.db2.gz FXTOQZJJOJZYFO-HNNXBMFYSA-N 0 3 264.369 2.190 40 0 CEABHN CCCn1ncc(C(=O)N2CCCC[C@H]2CN(C)C)c1C ZINC000019525877 361542145 /nfs/dbraw/zinc/54/21/45/361542145.db2.gz PNTZVDQRMKRXIQ-AWEZNQCLSA-N 0 3 292.427 2.158 40 0 CEABHN CCc1ccc(CN2CCC3(CN(C)C3=O)CC2)cc1 ZINC000096202812 364410163 /nfs/dbraw/zinc/41/01/63/364410163.db2.gz KBYLOOBGMXWENO-UHFFFAOYSA-N 0 3 272.392 2.303 40 0 CEABHN c1coc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c1 ZINC000096202506 364411550 /nfs/dbraw/zinc/41/15/50/364411550.db2.gz JGBXYLPGBQJCEK-UHFFFAOYSA-N 0 3 283.375 2.383 40 0 CEABHN CN1CCCC[C@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096217580 364413426 /nfs/dbraw/zinc/41/34/26/364413426.db2.gz GZCSOBHEVYZEIE-MRXNPFEDSA-N 0 3 273.380 2.172 40 0 CEABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccco3)C2)C1 ZINC000585103115 367178659 /nfs/dbraw/zinc/17/86/59/367178659.db2.gz QNPDRIOKRMWICX-CQSZACIVSA-N 0 3 278.396 2.212 40 0 CEABHN CC(C)Cc1ccc(CNC[C@@H]2CCCO2)n1C ZINC000226020139 370328087 /nfs/dbraw/zinc/32/80/87/370328087.db2.gz VMOOBVGVACAWIY-HNNXBMFYSA-N 0 3 250.386 2.492 40 0 CEABHN COC[C@@H]1CCN(C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248155564 371165696 /nfs/dbraw/zinc/16/56/96/371165696.db2.gz VPHZRGLTQKMQEK-CQSZACIVSA-N 0 3 292.398 2.368 40 0 CEABHN CN1C[C@@H]2CN(Cc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253409242 371516754 /nfs/dbraw/zinc/51/67/54/371516754.db2.gz ZVAQHYWVVSQAJL-MRXNPFEDSA-N 0 3 291.414 2.036 40 0 biogenic,in-vitro CEABHN OC1(CN2CCC[C@@H]2c2cnccn2)CCCCC1 ZINC000257299420 371609635 /nfs/dbraw/zinc/60/96/35/371609635.db2.gz RPZXYGIIZGFEHF-CQSZACIVSA-N 0 3 261.369 2.309 40 0 CEABHN CCCn1nc(C)cc1CNCCN(CC)CC ZINC000256052697 190004143 /nfs/dbraw/zinc/00/41/43/190004143.db2.gz OIBMDIPFTBSXPJ-UHFFFAOYSA-N 0 3 252.406 2.033 40 0 CEABHN NC1(C(=O)N2CCC(Cc3ccncc3)CC2)CCCC1 ZINC000257253871 190021233 /nfs/dbraw/zinc/02/12/33/190021233.db2.gz KAPIDLULGLWSDN-UHFFFAOYSA-N 0 3 287.407 2.134 40 0 CEABHN CCn1nccc1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000257262923 190022009 /nfs/dbraw/zinc/02/20/09/190022009.db2.gz LNQOMPKHBKSNLT-LBPRGKRZSA-N 0 3 271.368 2.169 40 0 CEABHN CC(C)N1CCC[C@H]1c1cncc(-c2cc[nH]n2)n1 ZINC000257283228 190026302 /nfs/dbraw/zinc/02/63/02/190026302.db2.gz OXIPUSVYXFTSKQ-AWEZNQCLSA-N 0 3 257.341 2.412 40 0 CEABHN CNc1cc([C@@H]2CCCN(Cc3c[nH]cn3)C2)ccn1 ZINC000257306600 190031436 /nfs/dbraw/zinc/03/14/36/190031436.db2.gz SUZQPSZYLGEKGB-CYBMUJFWSA-N 0 3 271.368 2.226 40 0 CEABHN CNc1cc([C@@H]2CCCN(Cc3cnc[nH]3)C2)ccn1 ZINC000257306600 190031437 /nfs/dbraw/zinc/03/14/37/190031437.db2.gz SUZQPSZYLGEKGB-CYBMUJFWSA-N 0 3 271.368 2.226 40 0 CEABHN CN1CCC[C@@H](c2cncc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257307188 190031174 /nfs/dbraw/zinc/03/11/74/190031174.db2.gz SXOIDNAWVLXMKJ-CQSZACIVSA-N 0 3 296.374 2.052 40 0 CEABHN COc1ccc(C[C@@H]2CN(C3CCOCC3)CCO2)cc1 ZINC000257311310 190031952 /nfs/dbraw/zinc/03/19/52/190031952.db2.gz UIVXUIDZOJVULO-QGZVFWFLSA-N 0 3 291.391 2.118 40 0 CEABHN CC(C)N1CCC[C@@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257234371 394595538 /nfs/dbraw/zinc/59/55/38/394595538.db2.gz GTFQWLQYKSORQY-CQSZACIVSA-N 0 3 257.341 2.412 40 0 CEABHN C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2ccccn2)CC1 ZINC000019831744 400105563 /nfs/dbraw/zinc/10/55/63/400105563.db2.gz YTCPQGGPLXYDOA-IKGGRYGDSA-N 0 3 283.419 2.411 40 0 CEABHN C/C=C/[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)C1CCCC1 ZINC000005566357 170114377 /nfs/dbraw/zinc/11/43/77/170114377.db2.gz KFIKGORTYFCONO-RIGKITEYSA-N 0 3 293.407 2.121 40 0 CEABHN CC1CCN(C[C@@H](O)COc2ccccc2F)CC1 ZINC000006395798 170197943 /nfs/dbraw/zinc/19/79/43/170197943.db2.gz LLXJZHFRDRNTAG-CYBMUJFWSA-N 0 3 267.344 2.297 40 0 CEABHN CN1CCC[C@@H](CNC(=S)Nc2ccc(F)cc2)C1 ZINC000009876298 170388535 /nfs/dbraw/zinc/38/85/35/170388535.db2.gz DCZCCACBTACIPT-NSHDSACASA-N 0 3 281.400 2.454 40 0 CEABHN CNc1cccc([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000072364261 176379061 /nfs/dbraw/zinc/37/90/61/176379061.db2.gz QIYLVHNOCCOPRD-AWEZNQCLSA-N 0 3 285.395 2.236 40 0 CEABHN CN1CCC(c2cccc(NCCc3cnccn3)n2)CC1 ZINC000072365352 176380392 /nfs/dbraw/zinc/38/03/92/176380392.db2.gz LNNCFTHXZREWHG-UHFFFAOYSA-N 0 3 297.406 2.335 40 0 CEABHN CNc1ncccc1CN1CC[C@H](c2n[nH]cc2C)C1 ZINC000072386199 176391574 /nfs/dbraw/zinc/39/15/74/176391574.db2.gz MIUCRBHEBFJAMB-LBPRGKRZSA-N 0 3 271.368 2.144 40 0 CEABHN CN(C)C[C@@H]1CCc2c3ccccc3n(C)c2C1=O ZINC000004823567 273798830 /nfs/dbraw/zinc/79/88/30/273798830.db2.gz KVCJCBRUPJFTTJ-NSHDSACASA-N 0 3 256.349 2.485 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096038971 185069395 /nfs/dbraw/zinc/06/93/95/185069395.db2.gz RPAIPOFUMNRCFZ-HUUCEWRRSA-N 0 3 265.353 2.297 40 0 CEABHN c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3C2CCC2)ccn1 ZINC000096041805 185070248 /nfs/dbraw/zinc/07/02/48/185070248.db2.gz RTKOZBZAMRUDDN-GVDBMIGSSA-N 0 3 288.391 2.383 40 0 CEABHN Cc1ccc(CN2CCC3(CC2)COCCN3C)s1 ZINC000096048903 185072633 /nfs/dbraw/zinc/07/26/33/185072633.db2.gz SRZLTDGTSRDUMW-UHFFFAOYSA-N 0 3 280.437 2.353 40 0 CEABHN O=C1[C@H]2CN(Cc3cccnc3)C[C@H]2CN1c1ccsc1 ZINC000096053688 185074951 /nfs/dbraw/zinc/07/49/51/185074951.db2.gz FGZLFJWCIIIVQQ-ZFWWWQNUSA-N 0 3 299.399 2.238 40 0 CEABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccncc1)CC2 ZINC000096071917 185087336 /nfs/dbraw/zinc/08/73/36/185087336.db2.gz BCPMJYLFIDKZIJ-KRWDZBQOSA-N 0 3 287.407 2.449 40 0 CEABHN COc1ccc(OC)c([C@H](CN)N2CCC[C@H](C)C2)c1 ZINC000036100764 361828197 /nfs/dbraw/zinc/82/81/97/361828197.db2.gz AXSOXHXUGNIETM-WFASDCNBSA-N 0 3 278.396 2.436 40 0 CEABHN Oc1ccc(-c2nc3cc(N4CCNCC4)ccc3[nH]2)cc1 ZINC000045206854 362160321 /nfs/dbraw/zinc/16/03/21/362160321.db2.gz ZSDZPOMFIUCIJA-UHFFFAOYSA-N 0 3 294.358 2.345 40 0 CEABHN Cc1nc(NCCO)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329042608 136377695 /nfs/dbraw/zinc/37/76/95/136377695.db2.gz SOYBEKZQZPRYHW-GFCCVEGCSA-N 0 3 298.390 2.140 40 0 CEABHN O=C(C[C@H]1[C@H]2CN(Cc3cccs3)C[C@@H]12)N1CCCC1 ZINC000107253896 186165036 /nfs/dbraw/zinc/16/50/36/186165036.db2.gz CZPSIJDSXIWIQO-QDMKHBRRSA-N 0 3 290.432 2.438 40 0 CEABHN CC(C)(C)NCCS(=O)(=O)c1nc2ccccc2s1 ZINC000002751770 361248134 /nfs/dbraw/zinc/24/81/34/361248134.db2.gz TXYBAVXHKNUCOI-UHFFFAOYSA-N 0 3 298.433 2.458 40 0 CEABHN CN1CCC[C@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000082336773 363768058 /nfs/dbraw/zinc/76/80/58/363768058.db2.gz FVASUJIRQBSLBJ-VIFPVBQESA-N 0 3 254.280 2.245 40 0 CEABHN COc1cccc(CCNCc2cn(C)nc2C)c1 ZINC000012398138 361382948 /nfs/dbraw/zinc/38/29/48/361382948.db2.gz ZRYCSDROBFFSGH-UHFFFAOYSA-N 0 3 259.353 2.069 40 0 CEABHN CCN1CCN(c2ccc3nc(N)sc3c2)CC1 ZINC000031894458 361723186 /nfs/dbraw/zinc/72/31/86/361723186.db2.gz ZRCNMGKKMLYDFW-UHFFFAOYSA-N 0 3 262.382 2.020 40 0 CEABHN BrC1=NO[C@@H](CNCc2ccccc2)C1 ZINC000095098360 364340603 /nfs/dbraw/zinc/34/06/03/364340603.db2.gz CUVOOGSVGOUEAE-SNVBAGLBSA-N 0 3 269.142 2.274 40 0 CEABHN CN(C)Cc1cnc2n1CCN(Cc1cccs1)CC2 ZINC000096196773 364409390 /nfs/dbraw/zinc/40/93/90/364409390.db2.gz MWRXMUIJGXHPDQ-UHFFFAOYSA-N 0 3 290.436 2.065 40 0 CEABHN Cc1cccc(CN2CC[C@]3(C2)c2ccccc2NC3=O)n1 ZINC000096244786 364416925 /nfs/dbraw/zinc/41/69/25/364416925.db2.gz HJPPPKVWQCLCGQ-SFHVURJKSA-N 0 3 293.370 2.486 40 0 CEABHN CC(=O)[C@](C)(O)CN1CCC(Nc2cccc(C)c2)CC1 ZINC000330861219 203324440 /nfs/dbraw/zinc/32/44/40/203324440.db2.gz PUZBEJZNTXXMQU-QGZVFWFLSA-N 0 3 290.407 2.211 40 0 CEABHN Cc1ccc(Nc2nc(C)cc(N3CCNCC3)n2)cc1 ZINC000217507894 370197013 /nfs/dbraw/zinc/19/70/13/370197013.db2.gz KLCJVKZGDTWQFE-UHFFFAOYSA-N 0 3 283.379 2.247 40 0 CEABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1ccsc1)C2 ZINC000247957421 371150092 /nfs/dbraw/zinc/15/00/92/371150092.db2.gz PCOOAHQOSIDBAW-HIFRSBDPSA-N 0 3 278.421 2.486 40 0 CEABHN COc1ccccc1CN1CCC2(CC1)OCCC[C@H]2O ZINC000257277786 190025264 /nfs/dbraw/zinc/02/52/64/190025264.db2.gz NZJBBGIDJODBDL-MRXNPFEDSA-N 0 3 291.391 2.201 40 0 CEABHN CN1CCC[C@@H]2N(C(=O)c3cccnc3)CCC[C@@]21C ZINC000257292950 190027767 /nfs/dbraw/zinc/02/77/67/190027767.db2.gz QNORVPKLQWLUEO-HOCLYGCPSA-N 0 3 273.380 2.171 40 0 CEABHN Cc1ncc(-c2cc(C)nc([C@@H]3CCCN(C)C3)n2)n1C ZINC000257295683 190028675 /nfs/dbraw/zinc/02/86/75/190028675.db2.gz QZLCODUGTMTZHK-CYBMUJFWSA-N 0 3 285.395 2.303 40 0 CEABHN COc1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000257302620 190030257 /nfs/dbraw/zinc/03/02/57/190030257.db2.gz SDPHHVDAAIAUIG-MRXNPFEDSA-N 0 3 291.391 2.201 40 0 CEABHN Cc1cn(C)c([C@@H]2CCCN(Cc3ccnc(C)n3)C2)n1 ZINC000257342606 190037022 /nfs/dbraw/zinc/03/70/22/190037022.db2.gz ZPKUHMHWWFJSIU-CQSZACIVSA-N 0 3 285.395 2.207 40 0 CEABHN CCN1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216539 394592885 /nfs/dbraw/zinc/59/28/85/394592885.db2.gz XKJDOOTVQLVMMU-INIZCTEOSA-N 0 3 288.439 2.380 40 0 CEABHN CN1CC[C@@]2(C1)COCc1cnc(-c3ccccc3)nc12 ZINC000096080384 394675891 /nfs/dbraw/zinc/67/58/91/394675891.db2.gz YLCQPSWLMCIPQB-QGZVFWFLSA-N 0 3 281.359 2.247 40 0 CEABHN COC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC000021987929 171345816 /nfs/dbraw/zinc/34/58/16/171345816.db2.gz PECKJJLXPJQABJ-OCCSQVGLSA-N 0 3 262.353 2.253 40 0 CEABHN Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)c1 ZINC000072321692 176368770 /nfs/dbraw/zinc/36/87/70/176368770.db2.gz AFYKYLTZANRCDB-NCXUSEDFSA-N 0 3 297.398 2.363 40 0 biogenic,in-vitro CEABHN O[C@H]1CCCN(Cc2ccc3cc(F)ccc3n2)C1 ZINC000072397880 176395634 /nfs/dbraw/zinc/39/56/34/176395634.db2.gz NLZAFJLPHIHDAB-AWEZNQCLSA-N 0 3 260.312 2.331 40 0 CEABHN CC(=O)N1CCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000062353860 260235335 /nfs/dbraw/zinc/23/53/35/260235335.db2.gz VUMKKYRZWXRFTM-KRWDZBQOSA-N 0 3 288.391 2.115 40 0 CEABHN c1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112785 275067305 /nfs/dbraw/zinc/06/73/05/275067305.db2.gz ZUSZUOXVUADEQT-AWEZNQCLSA-N 0 3 294.358 2.292 40 0 biogenic,in-vitro CEABHN CN1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1ccccn1 ZINC000257269819 277070988 /nfs/dbraw/zinc/07/09/88/277070988.db2.gz MRNFHBVRLGNJJM-ZBFHGGJFSA-N 0 3 273.380 2.171 40 0 CEABHN Cc1cc(C)nc(NCCNCc2ccccc2F)n1 ZINC000062717866 333176064 /nfs/dbraw/zinc/17/60/64/333176064.db2.gz RGEWXRGZXOPVCG-UHFFFAOYSA-N 0 3 274.343 2.434 40 0 CEABHN COc1ccc([C@H](N)c2n[nH]c(CC(C)C)n2)cc1 ZINC000095533749 185006731 /nfs/dbraw/zinc/00/67/31/185006731.db2.gz JZXFTPHKOHSIFI-ZDUSSCGKSA-N 0 3 260.341 2.060 40 0 CEABHN CN1C(=O)CCC[C@]12CCCN(Cc1ccco1)C2 ZINC000096049948 185074954 /nfs/dbraw/zinc/07/49/54/185074954.db2.gz GGAZXMHGTBQHDT-OAHLLOKOSA-N 0 3 262.353 2.257 40 0 CEABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1c1ccccc1 ZINC000096053574 185075093 /nfs/dbraw/zinc/07/50/93/185075093.db2.gz UYUUZRNEUPLYLI-HOCLYGCPSA-N 0 3 282.343 2.374 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096056711 185078060 /nfs/dbraw/zinc/07/80/60/185078060.db2.gz MSHWUFSCDKMXQC-GJZGRUSLSA-N 0 3 265.353 2.297 40 0 CEABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)s1 ZINC000096056466 185078078 /nfs/dbraw/zinc/07/80/78/185078078.db2.gz JYQVWFJWUHHMFZ-CHWSQXEVSA-N 0 3 264.394 2.252 40 0 CEABHN O[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1cccnc1 ZINC000096061604 185082654 /nfs/dbraw/zinc/08/26/54/185082654.db2.gz YAEWDXCHBMSKBU-DLBZAZTESA-N 0 3 286.350 2.399 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1F)C1CC1 ZINC000037801453 361943067 /nfs/dbraw/zinc/94/30/67/361943067.db2.gz NOOOWXUGKPYWTP-AWEZNQCLSA-N 0 3 264.344 2.300 40 0 CEABHN COc1ccc([C@H](N)CNC(=O)OC(C)(C)C)cc1 ZINC000012357105 361378837 /nfs/dbraw/zinc/37/88/37/361378837.db2.gz KDPRBIGJWBCZKK-GFCCVEGCSA-N 0 3 266.341 2.220 40 0 CEABHN CN1CCC(NC(=S)Nc2ccc(F)cc2)CC1 ZINC000013775538 361441955 /nfs/dbraw/zinc/44/19/55/361441955.db2.gz WHZJFSJKYCZASP-UHFFFAOYSA-N 0 3 267.373 2.206 40 0 CEABHN CCN(CC)CCN(C)CC(=O)Nc1ccccc1C ZINC000019366450 361528745 /nfs/dbraw/zinc/52/87/45/361528745.db2.gz XGHYRYOVNLJKIV-UHFFFAOYSA-N 0 3 277.412 2.207 40 0 CEABHN CCc1ccc(CN[C@@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096189598 364407477 /nfs/dbraw/zinc/40/74/77/364407477.db2.gz WGKRDSKNGUUZGA-GFCCVEGCSA-N 0 3 272.348 2.177 40 0 CEABHN COC[C@@H]1C(=O)N(c2ccccc2)CC12CCN(C)CC2 ZINC000096206146 364410074 /nfs/dbraw/zinc/41/00/74/364410074.db2.gz JLFNNZMBAHIWIC-OAHLLOKOSA-N 0 3 288.391 2.008 40 0 CEABHN CO[C@H]1CCN(Cc2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200594 364410264 /nfs/dbraw/zinc/41/02/64/364410264.db2.gz CWZKEVZDYHJFHB-GJZGRUSLSA-N 0 3 291.420 2.314 40 0 CEABHN O=C1N(CC2CC2)CC12CCN(Cc1ccco1)CC2 ZINC000096202852 364410391 /nfs/dbraw/zinc/41/03/91/364410391.db2.gz MLADMLJQWOKJAK-UHFFFAOYSA-N 0 3 274.364 2.114 40 0 CEABHN COc1ccc(CN2CC[C@H](O)[C@@H]2Cc2ccncc2)cc1 ZINC000096200715 364410578 /nfs/dbraw/zinc/41/05/78/364410578.db2.gz YXODIXGVYCKSIP-ROUUACIJSA-N 0 3 298.386 2.268 40 0 CEABHN NCc1cn(Cc2ccccc2Br)cn1 ZINC000098213995 364538320 /nfs/dbraw/zinc/53/83/20/364538320.db2.gz BRQWXOBJAMTMQM-UHFFFAOYSA-N 0 3 266.142 2.153 40 0 CEABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(CC(C)C)C2 ZINC000225494202 370299403 /nfs/dbraw/zinc/29/94/03/370299403.db2.gz DLMPWCMQOPGKRA-HNNXBMFYSA-N 0 3 277.412 2.049 40 0 biogenic,in-vitro CEABHN COc1cccc(CCNCc2cc(C)nn2C)c1 ZINC000235006796 370554031 /nfs/dbraw/zinc/55/40/31/370554031.db2.gz OJYPIXSLJSWILD-UHFFFAOYSA-N 0 3 259.353 2.069 40 0 CEABHN CN1CC[C@@H](c2ccnc(Nc3ccccn3)n2)C1 ZINC000257322793 371612527 /nfs/dbraw/zinc/61/25/27/371612527.db2.gz WHKMNRJOHSXVHN-LLVKDONJSA-N 0 3 255.325 2.034 40 0 CEABHN CC(=O)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408604100 375513652 /nfs/dbraw/zinc/51/36/52/375513652.db2.gz DJJKNZXVUDAVQI-INIZCTEOSA-N 0 3 258.365 2.056 40 0 CEABHN CCN(CC)CCNCc1cn(C(C)C)nc1C ZINC000256051567 190003903 /nfs/dbraw/zinc/00/39/03/190003903.db2.gz JRPUMQGZHQORHI-UHFFFAOYSA-N 0 3 252.406 2.204 40 0 CEABHN O=C1NCCCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000072396056 284874412 /nfs/dbraw/zinc/87/44/12/284874412.db2.gz CDWMFDCOVBKHHU-UHFFFAOYSA-N 0 3 276.355 2.318 40 0 CEABHN CC(C)CN1CC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096202819 256822897 /nfs/dbraw/zinc/82/28/97/256822897.db2.gz RBFHPAAEMPGVKO-UHFFFAOYSA-N 0 3 287.407 2.162 40 0 CEABHN O[C@@H](Cc1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000031688613 134758577 /nfs/dbraw/zinc/75/85/77/134758577.db2.gz WTIYVDBHKOAGAR-IBGZPJMESA-N 0 3 296.414 2.412 40 0 CEABHN CC[C@H](O)c1ccc(N2CCN(C(C)C)CC2)nc1C ZINC000072224752 394594572 /nfs/dbraw/zinc/59/45/72/394594572.db2.gz FDNAWFAXWDXDKY-HNNXBMFYSA-N 0 3 277.412 2.364 40 0 CEABHN Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3c2ncccn2)n1 ZINC000096064033 394675623 /nfs/dbraw/zinc/67/56/23/394675623.db2.gz JURDHVGAHBNIKR-HOTGVXAUSA-N 0 3 295.390 2.033 40 0 CEABHN CCOC(CNCc1ccc(OC)cc1)OCC ZINC000001704014 285989361 /nfs/dbraw/zinc/98/93/61/285989361.db2.gz CMSSGXIYTNOYIO-UHFFFAOYSA-N 0 3 253.342 2.184 40 0 CEABHN N=C(Nc1ccccc1)Nc1nc2ccccc2c(=O)[nH]1 ZINC000040385328 174251634 /nfs/dbraw/zinc/25/16/34/174251634.db2.gz ISGQKCPKTMMCGS-UHFFFAOYSA-N 0 3 279.303 2.382 40 0 CEABHN CN1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072354312 176374912 /nfs/dbraw/zinc/37/49/12/176374912.db2.gz IQAMLWZONWLZML-LBPRGKRZSA-N 0 3 269.352 2.424 40 0 CEABHN Cc1cc(NC2CCOCC2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072365461 176380531 /nfs/dbraw/zinc/38/05/31/176380531.db2.gz SZONHBDAEGUMNU-CYBMUJFWSA-N 0 3 290.411 2.185 40 0 CEABHN O=C1N[C@@H]2c3c(Cl)sc(Cl)c3C(=O)C2O1 ZINC000006523914 280297801 /nfs/dbraw/zinc/29/78/01/280297801.db2.gz BYWUOXFHZWXCQT-WUJLRWPWSA-N 0 3 264.089 2.401 40 0 CEABHN CCCCOCCCNCc1cnc(NCC)nc1 ZINC000062717566 333175866 /nfs/dbraw/zinc/17/58/66/333175866.db2.gz NMEVHQZAJJPNBS-UHFFFAOYSA-N 0 3 266.389 2.205 40 0 CEABHN COc1cccc(CNCCNc2nc(C)cc(C)n2)c1 ZINC000062717862 333176013 /nfs/dbraw/zinc/17/60/13/333176013.db2.gz ACDWWLLLMFRHNN-UHFFFAOYSA-N 0 3 286.379 2.304 40 0 CEABHN OC[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 ZINC000095829840 185029225 /nfs/dbraw/zinc/02/92/25/185029225.db2.gz SOUPGWGAPDMYFM-IBGZPJMESA-N 0 3 296.414 2.365 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096038973 185069582 /nfs/dbraw/zinc/06/95/82/185069582.db2.gz RPAIPOFUMNRCFZ-LSDHHAIUSA-N 0 3 265.353 2.297 40 0 CEABHN CCN1CCOC[C@]2(CCCN(Cc3ccncc3)C2)C1 ZINC000096049601 185072323 /nfs/dbraw/zinc/07/23/23/185072323.db2.gz ROSWHBLOMLYGJU-QGZVFWFLSA-N 0 3 289.423 2.016 40 0 CEABHN O=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1 ZINC000096047441 185073094 /nfs/dbraw/zinc/07/30/94/185073094.db2.gz HMSWASPJGMMJLA-AWEZNQCLSA-N 0 3 264.394 2.383 40 0 CEABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096048107 185073207 /nfs/dbraw/zinc/07/32/07/185073207.db2.gz JPGOAQWCYBOEQZ-HNNXBMFYSA-N 0 3 276.380 2.242 40 0 CEABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096056811 185077364 /nfs/dbraw/zinc/07/73/64/185077364.db2.gz PBORYDSXKKSBKD-SJORKVTESA-N 0 3 290.407 2.489 40 0 CEABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 ZINC000096056809 185078117 /nfs/dbraw/zinc/07/81/17/185078117.db2.gz QGEMVTUHWNOLFE-IRXDYDNUSA-N 0 3 290.407 2.489 40 0 CEABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccncc1)CC2 ZINC000096071916 185086900 /nfs/dbraw/zinc/08/69/00/185086900.db2.gz BCPMJYLFIDKZIJ-QGZVFWFLSA-N 0 3 287.407 2.449 40 0 CEABHN CCOC[C@H]1CC2(CO1)CCN(Cc1ccccn1)CC2 ZINC000096105871 185099043 /nfs/dbraw/zinc/09/90/43/185099043.db2.gz IKIYZMSZWYBCNA-MRXNPFEDSA-N 0 3 290.407 2.489 40 0 CEABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)o1 ZINC000096108714 185099499 /nfs/dbraw/zinc/09/94/99/185099499.db2.gz USAAWORXHJYMBS-NVXWUHKLSA-N 0 3 291.391 2.463 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000037804925 361945905 /nfs/dbraw/zinc/94/59/05/361945905.db2.gz LMTDAHXEYNDAOY-LBPRGKRZSA-N 0 3 254.761 2.282 40 0 CEABHN CCN1CCN(c2ccc3cccc(O)c3n2)CC1 ZINC000041669466 362046106 /nfs/dbraw/zinc/04/61/06/362046106.db2.gz GZEUFZYJIYOPTR-UHFFFAOYSA-N 0 3 257.337 2.082 40 0 CEABHN Cc1nc(C)c(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)s1 ZINC000046882135 362189563 /nfs/dbraw/zinc/18/95/63/362189563.db2.gz RKGHATGFEOVQIO-PHIMTYICSA-N 0 3 295.452 2.468 40 0 CEABHN CC1(C)C[C@@H]2CN(C(=O)c3cccc(CN)c3)CC[C@@H]2O1 ZINC000585283798 345010103 /nfs/dbraw/zinc/01/01/03/345010103.db2.gz DTMYNFUJLTZVAG-CABCVRRESA-N 0 3 288.391 2.175 40 0 CEABHN CCC(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260307 186164568 /nfs/dbraw/zinc/16/45/68/186164568.db2.gz BWMHZOIKSIBNDQ-RDJZCZTQSA-N 0 3 272.392 2.271 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1scnc1C)C2 ZINC000107771335 186190739 /nfs/dbraw/zinc/19/07/39/186190739.db2.gz MPWGFTVATGFOKA-GJZGRUSLSA-N 0 3 296.436 2.469 40 0 CEABHN CCNc1nc(NC(C)C)nc(NC(C)(C)C)n1 ZINC000000856856 361194979 /nfs/dbraw/zinc/19/49/79/361194979.db2.gz APYGAJCXDCLDTA-UHFFFAOYSA-N 0 3 252.366 2.334 40 0 CEABHN O[C@H]1CCCC[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000002022379 361226519 /nfs/dbraw/zinc/22/65/19/361226519.db2.gz TZJZHIIVJQYNPM-WBVHZDCISA-N 0 3 274.408 2.360 40 0 CEABHN CCC(=O)c1ccc(OC[C@H](O)CN(CC)CC)cc1 ZINC000002705556 361244517 /nfs/dbraw/zinc/24/45/17/361244517.db2.gz SKIYQBAKEVTMIE-CQSZACIVSA-N 0 3 279.380 2.361 40 0 CEABHN NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000019257201 361522777 /nfs/dbraw/zinc/52/27/77/361522777.db2.gz FPZBEIKKHBJYEH-GFCCVEGCSA-N 0 3 275.179 2.325 40 0 CEABHN c1cncc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000022922806 361590034 /nfs/dbraw/zinc/59/00/34/361590034.db2.gz UAVRMXCIFDPFTP-USXIJHARSA-N 0 3 271.408 2.388 40 0 CEABHN COC(=O)[C@@H](CN)c1c[nH]c2cc(Cl)ccc21 ZINC000027762392 361659190 /nfs/dbraw/zinc/65/91/90/361659190.db2.gz QVUWSAQECIFTMS-VIFPVBQESA-N 0 3 252.701 2.037 40 0 CEABHN CN1CC[C@@]23CC(=O)CC[C@@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000029221936 361682634 /nfs/dbraw/zinc/68/26/34/361682634.db2.gz DRLCTBKVUWSSIT-HYVNUMGLSA-N 0 3 271.360 2.259 40 0 biogenic,in-vitro CEABHN Cc1nc(CO[C@H]2CN(C(C)C)[C@@H]3COC[C@H]23)cs1 ZINC000096185092 364407381 /nfs/dbraw/zinc/40/73/81/364407381.db2.gz RJJSZHUSJQQQEV-MJBXVCDLSA-N 0 3 282.409 2.076 40 0 CEABHN CN1C(=O)CCC[C@@]12CCCN(Cc1ccncc1)C2 ZINC000096049971 364400719 /nfs/dbraw/zinc/40/07/19/364400719.db2.gz MACGVZNIRVAHMG-INIZCTEOSA-N 0 3 273.380 2.059 40 0 CEABHN O=C1CCCC2(CCN(Cc3ccc(F)cc3)CC2)N1 ZINC000096158566 364403059 /nfs/dbraw/zinc/40/30/59/364403059.db2.gz BFVLIJYUNYUHDU-UHFFFAOYSA-N 0 3 276.355 2.460 40 0 CEABHN Cc1ccc(CN2CC[C@]3(C[C@@H]3C(=O)NCC3CC3)C2)o1 ZINC000096228634 364414527 /nfs/dbraw/zinc/41/45/27/364414527.db2.gz IIXRSHWVXRQTTH-WBVHZDCISA-N 0 3 288.391 2.326 40 0 CEABHN CN1CC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC000096268645 364420332 /nfs/dbraw/zinc/42/03/32/364420332.db2.gz RLWOFVCKJCIBQM-OAHLLOKOSA-N 0 3 250.386 2.121 40 0 CEABHN CC(C)Cc1ccc(CNC[C@H]2CCCO2)n1C ZINC000226020151 189768594 /nfs/dbraw/zinc/76/85/94/189768594.db2.gz VMOOBVGVACAWIY-OAHLLOKOSA-N 0 3 250.386 2.492 40 0 CEABHN C1=C[C@@H]2C[C@H]1C[C@@H]2CN1CCN(Cc2ccccn2)CC1 ZINC000222216155 370251835 /nfs/dbraw/zinc/25/18/35/370251835.db2.gz YTCPQGGPLXYDOA-GVDBMIGSSA-N 0 3 283.419 2.411 40 0 CEABHN c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCCN3CC2CC2)nc1 ZINC000253591453 371530615 /nfs/dbraw/zinc/53/06/15/371530615.db2.gz NMVZUPDNUAFYQR-XHSDSOJGSA-N 0 3 288.391 2.350 40 0 CEABHN Cc1nc[nH]c1CN(C)[C@H]1CCCN(c2ccccn2)C1 ZINC000257340000 371612744 /nfs/dbraw/zinc/61/27/44/371612744.db2.gz ZECFXKAJGDEBSU-AWEZNQCLSA-N 0 3 285.395 2.214 40 0 CEABHN OCCN1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257228482 190015994 /nfs/dbraw/zinc/01/59/94/190015994.db2.gz FUBJJLQLLNTLGP-UHFFFAOYSA-N 0 3 298.390 2.392 40 0 CEABHN c1ncc(CN2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)[nH]1 ZINC000257221437 190014378 /nfs/dbraw/zinc/01/43/78/190014378.db2.gz DPAAJBHTMBUVFJ-GFCCVEGCSA-N 0 3 282.351 2.061 40 0 CEABHN CCN(CCN(C)C)Cc1cnc([C@H]2CCCCO2)nc1 ZINC000257254577 190020433 /nfs/dbraw/zinc/02/04/33/190020433.db2.gz KDSOIRGQFAFWRC-OAHLLOKOSA-N 0 3 292.427 2.102 40 0 CEABHN Cc1cc(C)nc([C@H]2CCN(Cc3cccn3C)C2)n1 ZINC000257260438 190022531 /nfs/dbraw/zinc/02/25/31/190022531.db2.gz LCVKBGBIUWNSJL-AWEZNQCLSA-N 0 3 270.380 2.421 40 0 CEABHN O[C@H]1CCN(CCCc2ccccc2)C[C@@]12CCCO2 ZINC000257308248 190031374 /nfs/dbraw/zinc/03/13/74/190031374.db2.gz TVZZFGYRCXBEKW-IRXDYDNUSA-N 0 3 275.392 2.235 40 0 CEABHN Cc1nc(-c2ccnn2C)cc([C@H]2CCCCN2)n1 ZINC000257341441 190036936 /nfs/dbraw/zinc/03/69/36/190036936.db2.gz ZKIUKIHBNXSSTH-LLVKDONJSA-N 0 3 257.341 2.000 40 0 CEABHN Cc1nc(CO[C@H]2CN(CC3CC3)[C@@H]3COC[C@H]23)cs1 ZINC000096185093 256814809 /nfs/dbraw/zinc/81/48/09/256814809.db2.gz YSBSZZSYXVCXEG-ZNMIVQPWSA-N 0 3 294.420 2.077 40 0 CEABHN CN1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 ZINC000306130304 394513606 /nfs/dbraw/zinc/51/36/06/394513606.db2.gz JBYCANWEQZACIQ-KRWDZBQOSA-N 0 3 280.375 2.070 40 0 CEABHN Cc1cccc(CN2CC[C@@H]3[C@H]2CCN3c2ncccn2)n1 ZINC000306131009 394513874 /nfs/dbraw/zinc/51/38/74/394513874.db2.gz JURDHVGAHBNIKR-HZPDHXFCSA-N 0 3 295.390 2.033 40 0 CEABHN CCOCCCNCc1cnc(SCC)nc1 ZINC000062717295 394571039 /nfs/dbraw/zinc/57/10/39/394571039.db2.gz VYUFBCGWVBKDAH-UHFFFAOYSA-N 0 3 255.387 2.105 40 0 CEABHN Cc1cncc([C@H]2CCCN2CC2CCOCC2)n1 ZINC000257344607 394595375 /nfs/dbraw/zinc/59/53/75/394595375.db2.gz ZXYXYUQNIJUPIF-OAHLLOKOSA-N 0 3 261.369 2.349 40 0 CEABHN C[C@@H](NC[C@@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306090 154217847 /nfs/dbraw/zinc/21/78/47/154217847.db2.gz JLIHSZZEZPONLG-RISCZKNCSA-N 0 3 251.374 2.012 40 0 CEABHN COc1cc(CNCCO)ccc1OCc1cccs1 ZINC000008113948 170319245 /nfs/dbraw/zinc/31/92/45/170319245.db2.gz CNZIBABAFPCHTM-UHFFFAOYSA-N 0 3 293.388 2.418 40 0 CEABHN Cc1ccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000037179895 173013146 /nfs/dbraw/zinc/01/31/46/173013146.db2.gz CMKDMFWNQQCGKG-FMKPAKJESA-N 0 3 262.397 2.412 40 0 CEABHN Cc1nc([C@H]2CCCN2C2CCCCC2)ncc1C(N)=O ZINC000072345420 176372970 /nfs/dbraw/zinc/37/29/70/176372970.db2.gz NKZPAILZPDZDOF-CQSZACIVSA-N 0 3 288.395 2.354 40 0 CEABHN CNc1ccc(C[C@H]2CCCN(Cc3ccncc3)C2)nn1 ZINC000072387306 176392638 /nfs/dbraw/zinc/39/26/38/176392638.db2.gz GNELTGSHCDFXEZ-OAHLLOKOSA-N 0 3 297.406 2.368 40 0 CEABHN CO[C@H]1COCCN(Cc2cn(C)c3ccccc23)C1 ZINC000077265966 177247572 /nfs/dbraw/zinc/24/75/72/177247572.db2.gz BVLITXVTOZYOQD-CQSZACIVSA-N 0 3 274.364 2.026 40 0 biogenic,in-vitro CEABHN Cc1cc(-c2cc([C@@H]3CCCN(C)C3)nc(C)n2)n[nH]1 ZINC000257205134 280284363 /nfs/dbraw/zinc/28/43/63/280284363.db2.gz AXVASQYIWWRRGM-GFCCVEGCSA-N 0 3 271.368 2.293 40 0 CEABHN Cc1cc(-c2cc([C@H]3CCCN(C)C3)nc(C)n2)n[nH]1 ZINC000257205135 280284501 /nfs/dbraw/zinc/28/45/01/280284501.db2.gz AXVASQYIWWRRGM-LBPRGKRZSA-N 0 3 271.368 2.293 40 0 CEABHN N[C@H](c1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000095533380 185006580 /nfs/dbraw/zinc/00/65/80/185006580.db2.gz YZFGXBBBNWFYLF-HNNXBMFYSA-N 0 3 280.331 2.432 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096038972 185069277 /nfs/dbraw/zinc/06/92/77/185069277.db2.gz RPAIPOFUMNRCFZ-GJZGRUSLSA-N 0 3 265.353 2.297 40 0 CEABHN c1coc(CN2CC3(C2)CCN(Cc2ccncc2)C3)c1 ZINC000096046425 185071639 /nfs/dbraw/zinc/07/16/39/185071639.db2.gz CNLLBLBSJPVRCB-UHFFFAOYSA-N 0 3 283.375 2.383 40 0 CEABHN Cc1nnc([C@@H]2C[C@H]3C[N@H+](Cc4ccc(C)cc4)C[C@H]3O2)[n-]1 ZINC000096045875 185071816 /nfs/dbraw/zinc/07/18/16/185071816.db2.gz CBISIMXLTWJMNE-HRCADAONSA-N 0 3 298.390 2.384 40 0 CEABHN Cc1nnc([C@@H]2C[C@H]3C[N@@H+](Cc4ccc(C)cc4)C[C@H]3O2)[n-]1 ZINC000096045875 185071817 /nfs/dbraw/zinc/07/18/17/185071817.db2.gz CBISIMXLTWJMNE-HRCADAONSA-N 0 3 298.390 2.384 40 0 CEABHN CN1C(=O)CCC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096049947 185074192 /nfs/dbraw/zinc/07/41/92/185074192.db2.gz GGAZXMHGTBQHDT-HNNXBMFYSA-N 0 3 262.353 2.257 40 0 CEABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)C1CCOCC1 ZINC000096057949 185079297 /nfs/dbraw/zinc/07/92/97/185079297.db2.gz RFTOJAIRTOXMAK-GVDBMIGSSA-N 0 3 295.423 2.071 40 0 CEABHN Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cccnc2)o1 ZINC000096061602 185082608 /nfs/dbraw/zinc/08/26/08/185082608.db2.gz RYIKOVHHJPAZBX-JKSUJKDBSA-N 0 3 272.348 2.161 40 0 CEABHN Cc1ccc(C(=O)N2CC[C@@]3(CCN3CC3CC3)C2)cn1 ZINC000096076002 185089697 /nfs/dbraw/zinc/08/96/97/185089697.db2.gz SNTCGSQPTBGBHB-QGZVFWFLSA-N 0 3 285.391 2.090 40 0 CEABHN CC(C)[C@H](N)C(=O)NCc1cccc(Br)c1 ZINC000042419075 362092022 /nfs/dbraw/zinc/09/20/22/362092022.db2.gz URWYVLMQPVUCRC-NSHDSACASA-N 0 3 285.185 2.049 40 0 CEABHN O=C1c2ccccc2C(=O)N1[C@H]1CCCN2CCCC[C@H]12 ZINC000005776238 343355504 /nfs/dbraw/zinc/35/55/04/343355504.db2.gz KNEGFGGZBIDYHX-CABCVRRESA-N 0 3 284.359 2.300 40 0 CEABHN C[C@H](N)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000079420266 363598245 /nfs/dbraw/zinc/59/82/45/363598245.db2.gz QRZYPDXBSULDLS-ZETCQYMHSA-N 0 3 261.152 2.299 40 0 CEABHN CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)N ZINC000079420927 363598765 /nfs/dbraw/zinc/59/87/65/363598765.db2.gz FTDUOTBFAYKURY-VIFPVBQESA-N 0 3 274.286 2.401 40 0 CEABHN CC(C)N(C(=O)[C@H](C)N)[C@@H](C)c1ccc(F)cc1 ZINC000079421292 363599113 /nfs/dbraw/zinc/59/91/13/363599113.db2.gz IZPYLXIIXPOBOB-QWRGUYRKSA-N 0 3 252.333 2.471 40 0 CEABHN CCCCNCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001671729 361216577 /nfs/dbraw/zinc/21/65/77/361216577.db2.gz CADLPBYGOAMNGP-UHFFFAOYSA-N 0 3 278.352 2.192 40 0 CEABHN CCOC(=O)[C@@H]1CCCCN1c1ccccc1CN ZINC000026896366 361647266 /nfs/dbraw/zinc/64/72/66/361647266.db2.gz ZRSOSINNYDFJBU-AWEZNQCLSA-N 0 3 262.353 2.067 40 0 CEABHN NCc1cncn1Cc1ccc(C(F)(F)F)cc1 ZINC000090242348 364050680 /nfs/dbraw/zinc/05/06/80/364050680.db2.gz LVTHNPDUHQCMAK-UHFFFAOYSA-N 0 3 255.243 2.409 40 0 CEABHN BrC1=NO[C@H](CNCc2ccccc2)C1 ZINC000095098359 364339893 /nfs/dbraw/zinc/33/98/93/364339893.db2.gz CUVOOGSVGOUEAE-JTQLQIEISA-N 0 3 269.142 2.274 40 0 CEABHN COc1ncnc2c1CCN(Cc1cccs1)CC2 ZINC000096255555 364418384 /nfs/dbraw/zinc/41/83/84/364418384.db2.gz FGGYPWSKTGFJGJ-UHFFFAOYSA-N 0 3 275.377 2.148 40 0 CEABHN Cc1nc(C)c2c(n1)CCN(Cc1cccnc1)CC2 ZINC000096254513 364418965 /nfs/dbraw/zinc/41/89/65/364418965.db2.gz QVHHPCNDNXPNSH-UHFFFAOYSA-N 0 3 268.364 2.089 40 0 CEABHN CC(=O)N1CCC[C@@]2(CN(CC3CCCCC3)CCO2)C1 ZINC000096268745 364420242 /nfs/dbraw/zinc/42/02/42/364420242.db2.gz KOZMBNCTBCNIER-QGZVFWFLSA-N 0 3 294.439 2.280 40 0 CEABHN c1ccc(C[C@@H]2CN(C3CCOCC3)CCO2)cc1 ZINC000161679540 367105108 /nfs/dbraw/zinc/10/51/08/367105108.db2.gz OAUSKDBSWDQYQN-MRXNPFEDSA-N 0 3 261.365 2.109 40 0 CEABHN COC(=O)[C@H]1CN(C)C[C@@H]1c1ccc(Cl)cc1 ZINC000201757396 370151889 /nfs/dbraw/zinc/15/18/89/370151889.db2.gz VXRLOWUNYIQIGZ-NEPJUHHUSA-N 0 3 253.729 2.158 40 0 CEABHN Cc1c(CN(C)[C@H]2CCCN(c3ccccn3)C2)cnn1C ZINC000257251320 371611117 /nfs/dbraw/zinc/61/11/17/371611117.db2.gz JQGZFVCLIBCIAU-INIZCTEOSA-N 0 3 299.422 2.224 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3ncc[nH]3)C2)c1 ZINC000257222817 190014419 /nfs/dbraw/zinc/01/44/19/190014419.db2.gz DUUGHUNLJCNBSS-LBPRGKRZSA-N 0 3 271.368 2.144 40 0 CEABHN COc1cccc(CN2CC[C@@H](c3cc[nH]n3)C2)c1OC ZINC000257238492 190017868 /nfs/dbraw/zinc/01/78/68/190017868.db2.gz HLFHISNGBQCFRY-GFCCVEGCSA-N 0 3 287.363 2.416 40 0 CEABHN Cc1c[nH]c([C@@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 ZINC000257302312 190030628 /nfs/dbraw/zinc/03/06/28/190030628.db2.gz SCLOOZZVXGRDNI-CQSZACIVSA-N 0 3 299.374 2.479 40 0 CEABHN CCN(CC)CCNC1=CC(=S)NC(C)(C)C1 ZINC000022863723 284634771 /nfs/dbraw/zinc/63/47/71/284634771.db2.gz YXDHCABWQKDWGU-UHFFFAOYSA-N 0 3 255.431 2.312 40 0 CEABHN c1ccc(-c2ncnc3c2CCN([C@@H]2CCOC2)CC3)cc1 ZINC000096255374 256835564 /nfs/dbraw/zinc/83/55/64/256835564.db2.gz BRSYLANQGCFRAR-OAHLLOKOSA-N 0 3 295.386 2.333 40 0 CEABHN CCN(CC)CCOC(=O)c1ccc(N)cc1Cl ZINC000001530938 394451524 /nfs/dbraw/zinc/45/15/24/394451524.db2.gz VDANGULDQQJODZ-UHFFFAOYSA-N 0 3 270.760 2.421 40 0 fda CEABHN CN(C[C@H]1CCCCC1=O)C[C@H]1CCCCC1=O ZINC000001706452 394452324 /nfs/dbraw/zinc/45/23/24/394452324.db2.gz AHSWXWCMUKTJBE-CHWSQXEVSA-N 0 3 251.370 2.437 40 0 CEABHN CC(C)N1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216221 394592832 /nfs/dbraw/zinc/59/28/32/394592832.db2.gz SJRBXFIGOABRLX-OAHLLOKOSA-N 0 3 275.396 2.464 40 0 CEABHN NC[C@@H](c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000022210466 171373557 /nfs/dbraw/zinc/37/35/57/171373557.db2.gz DTMYKPFBKABTRB-LBPRGKRZSA-N 0 3 274.286 2.037 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000022212912 171374309 /nfs/dbraw/zinc/37/43/09/171374309.db2.gz AZNIWJXAYMFWFF-UHIISALHSA-N 0 3 268.788 2.449 40 0 CEABHN C[C@H](NCCN[C@@H](C)c1cccnc1)c1cccnc1 ZINC000022469018 171388757 /nfs/dbraw/zinc/38/87/57/171388757.db2.gz VJQJDYZVAVUECB-KBPBESRZSA-N 0 3 270.380 2.478 40 0 CEABHN CN1CCC(c2cccc(N[C@H]3CCCOC3)n2)CC1 ZINC000072386909 176392378 /nfs/dbraw/zinc/39/23/78/176392378.db2.gz FQYOPVSSXCUVAK-AWEZNQCLSA-N 0 3 275.396 2.482 40 0 CEABHN CN1CCC[C@H](c2cccc(NC3CCOCC3)n2)C1 ZINC000072386971 176392590 /nfs/dbraw/zinc/39/25/90/176392590.db2.gz XUUMKHWIMUAXPE-ZDUSSCGKSA-N 0 3 275.396 2.482 40 0 CEABHN Cc1cc2nccc(C3CCN([C@H]4CCOC4)CC3)n2n1 ZINC000257298921 274730405 /nfs/dbraw/zinc/73/04/05/274730405.db2.gz RNWIUESQDLULGW-AWEZNQCLSA-N 0 3 286.379 2.006 40 0 CEABHN CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220868 277241635 /nfs/dbraw/zinc/24/16/35/277241635.db2.gz KNYSEWHMZXNEQO-GFCCVEGCSA-N 0 3 266.772 2.298 40 0 CEABHN Cc1cccc(N2CCO[C@@H](c3cc(N)cc(C)n3)C2)n1 ZINC000257257616 281229185 /nfs/dbraw/zinc/22/91/85/281229185.db2.gz KQKUAJLDKYKBLT-OAHLLOKOSA-N 0 3 284.363 2.254 40 0 CEABHN CCOC(=O)c1ccc(-c2ccc(CNCCO)o2)cc1 ZINC000007519733 528196102 /nfs/dbraw/zinc/19/61/02/528196102.db2.gz GTJXYZREEGPXAJ-UHFFFAOYSA-N 0 3 289.331 2.205 40 0 CEABHN COc1ccc(OCc2nnc([C@@H]([NH3+])C(C)C)[n-]2)cc1 ZINC000095534738 185007608 /nfs/dbraw/zinc/00/76/08/185007608.db2.gz GSBFUBFQPITBHB-ZDUSSCGKSA-N 0 3 276.340 2.048 40 0 CEABHN COc1ccc(OCc2n[n-]c([C@@H]([NH3+])C(C)C)n2)cc1 ZINC000095534738 185007609 /nfs/dbraw/zinc/00/76/09/185007609.db2.gz GSBFUBFQPITBHB-ZDUSSCGKSA-N 0 3 276.340 2.048 40 0 CEABHN CCN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 ZINC000096047507 185072663 /nfs/dbraw/zinc/07/26/63/185072663.db2.gz GHGNXBRVRWHBFS-KRWDZBQOSA-N 0 3 287.407 2.449 40 0 CEABHN Cc1ccc(CN2CCC[C@]3(CCC(=O)N3)CC2)o1 ZINC000096047447 185073257 /nfs/dbraw/zinc/07/32/57/185073257.db2.gz AGJNDVKMEDECIK-HNNXBMFYSA-N 0 3 262.353 2.223 40 0 CEABHN COc1cc(OC)cc([C@H](CN)N2CCC[C@H](C)C2)c1 ZINC000035105605 361812903 /nfs/dbraw/zinc/81/29/03/361812903.db2.gz MICPJGHFZAGIHR-LRDDRELGSA-N 0 3 278.396 2.436 40 0 CEABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccco2)N1Cc1cccnc1 ZINC000096063866 185083928 /nfs/dbraw/zinc/08/39/28/185083928.db2.gz NFCFDGDBUCPOQP-CVEARBPZSA-N 0 3 297.358 2.050 40 0 CEABHN CCOC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000073381373 363215138 /nfs/dbraw/zinc/21/51/38/363215138.db2.gz RZDPTCZYEIQELI-GFCCVEGCSA-N 0 3 290.363 2.144 40 0 CEABHN COc1ccc(OC)c(NC(=O)CC2CCN(C)CC2)c1 ZINC000074921022 363418768 /nfs/dbraw/zinc/41/87/68/363418768.db2.gz TXRLEBHIAXJGGO-UHFFFAOYSA-N 0 3 292.379 2.374 40 0 CEABHN COc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000074921015 363418813 /nfs/dbraw/zinc/41/88/13/363418813.db2.gz RZGHLHWAGQKDSK-UHFFFAOYSA-N 0 3 262.353 2.366 40 0 CEABHN CN1CCC(CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000074921058 363418870 /nfs/dbraw/zinc/41/88/70/363418870.db2.gz PXGZJONHKGFQSR-UHFFFAOYSA-N 0 3 290.363 2.128 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1ccsc1)C(C)C ZINC000079436436 363600871 /nfs/dbraw/zinc/60/08/71/363600871.db2.gz IPYIJVBTJTVNIP-LBPRGKRZSA-N 0 3 254.399 2.468 40 0 CEABHN O[C@@H]1CCCC[C@H]1CN1CCN(c2ccccc2)CC1 ZINC000002022377 361226137 /nfs/dbraw/zinc/22/61/37/361226137.db2.gz TZJZHIIVJQYNPM-DOTOQJQBSA-N 0 3 274.408 2.360 40 0 CEABHN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000082326190 363765131 /nfs/dbraw/zinc/76/51/31/363765131.db2.gz NOMUHRXMJSXSEN-GFCCVEGCSA-N 0 3 262.353 2.284 40 0 CEABHN NC[C@H](c1cccc(Cl)c1Cl)N1CCOCC1 ZINC000019518091 361541544 /nfs/dbraw/zinc/54/15/44/361541544.db2.gz XJGRQFMBDQFKHP-LLVKDONJSA-N 0 3 275.179 2.325 40 0 CEABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1F ZINC000019796139 361554707 /nfs/dbraw/zinc/55/47/07/361554707.db2.gz QOOKUBPKAQBBLF-NSHDSACASA-N 0 3 254.305 2.350 40 0 CEABHN CCN1CCC[C@@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097373 364340178 /nfs/dbraw/zinc/34/01/78/364340178.db2.gz SBTACHXIMUIIKD-SNVBAGLBSA-N 0 3 265.748 2.137 40 0 CEABHN CO[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200189 364408815 /nfs/dbraw/zinc/40/88/15/364408815.db2.gz CWZKEVZDYHJFHB-LSDHHAIUSA-N 0 3 291.420 2.314 40 0 CEABHN CN(C)C(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000096251829 364415913 /nfs/dbraw/zinc/41/59/13/364415913.db2.gz PXSZZMGCICPJRP-DOTOQJQBSA-N 0 3 287.407 2.016 40 0 CEABHN Cc1cccc(CN2CC[C@@]3(C2)c2ccccc2NC3=O)n1 ZINC000096244785 364416889 /nfs/dbraw/zinc/41/68/89/364416889.db2.gz HJPPPKVWQCLCGQ-GOSISDBHSA-N 0 3 293.370 2.486 40 0 CEABHN CC[C@H](Oc1ccccc1F)C(=O)NC1CCN(C)CC1 ZINC000113960380 364920381 /nfs/dbraw/zinc/92/03/81/364920381.db2.gz KXILEJANXDNGGH-AWEZNQCLSA-N 0 3 294.370 2.194 40 0 CEABHN COc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1 ZINC000217556219 370196312 /nfs/dbraw/zinc/19/63/12/370196312.db2.gz LNRJIKLYLYKQRM-AWEZNQCLSA-N 0 3 295.346 2.224 40 0 CEABHN COc1ccccc1[C@H]1CNCCN1Cc1nccs1 ZINC000257206303 190011744 /nfs/dbraw/zinc/01/17/44/190011744.db2.gz BCTLXZPJGMTFRS-CYBMUJFWSA-N 0 3 289.404 2.298 40 0 CEABHN CO[C@H]1CN(CCOc2ccccc2)CC[C@@]12CCCO2 ZINC000257216131 190014292 /nfs/dbraw/zinc/01/42/92/190014292.db2.gz CTFODRUPGGNSED-IRXDYDNUSA-N 0 3 291.391 2.335 40 0 CEABHN CNc1cc(C)nc([C@@H]2CCN(Cc3ncc[nH]3)C2)c1 ZINC000257222816 190014714 /nfs/dbraw/zinc/01/47/14/190014714.db2.gz DUUGHUNLJCNBSS-GFCCVEGCSA-N 0 3 271.368 2.144 40 0 CEABHN Cn1cccc1CN1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257250979 190020311 /nfs/dbraw/zinc/02/03/11/190020311.db2.gz JOVDRASFPWWZDJ-CYBMUJFWSA-N 0 3 258.369 2.203 40 0 CEABHN CCOCCN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257258986 190021720 /nfs/dbraw/zinc/02/17/20/190021720.db2.gz KWJGVCYGUOBZLZ-HOTGVXAUSA-N 0 3 297.370 2.066 40 0 CEABHN CC(C)N1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257263102 190022256 /nfs/dbraw/zinc/02/22/56/190022256.db2.gz LOJOGOHTWCXGJK-LBPRGKRZSA-N 0 3 290.367 2.021 40 0 CEABHN CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2 ZINC000257320313 190033643 /nfs/dbraw/zinc/03/36/43/190033643.db2.gz VWFDFBQCWGKOKE-XJKSGUPXSA-N 0 3 276.355 2.284 40 0 CEABHN C[C@H](N[C@@H](C)C(C)(C)c1ccccc1)c1nnnn1C ZINC000189842213 130029003 /nfs/dbraw/zinc/02/90/03/130029003.db2.gz VKWXDLPYGGFQTL-RYUDHWBXSA-N 0 3 273.384 2.227 40 0 CEABHN CCN1CCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219617 394594257 /nfs/dbraw/zinc/59/42/57/394594257.db2.gz UCVIXKWXANQIQC-HNNXBMFYSA-N 0 3 275.396 2.383 40 0 CEABHN Cc1cc(N2CCCC2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072364624 394598523 /nfs/dbraw/zinc/59/85/23/394598523.db2.gz ALHWBULBEGQOTD-CYBMUJFWSA-N 0 3 260.385 2.194 40 0 CEABHN CCc1nccn1-c1nccnc1[C@@H]1CCCN(C)C1 ZINC000072350495 176373811 /nfs/dbraw/zinc/37/38/11/176373811.db2.gz FFTLGYUFGDLTDH-GFCCVEGCSA-N 0 3 271.368 2.034 40 0 CEABHN Cc1nc([C@H]2CCCN(C(C)C)C2)ncc1C(=O)N(C)C ZINC000072352005 176374268 /nfs/dbraw/zinc/37/42/68/176374268.db2.gz HMGITVOGNNLUPS-ZDUSSCGKSA-N 0 3 290.411 2.075 40 0 CEABHN COc1ccc2c(CN3CCC[C@@H](O)C3)cn(C)c2c1 ZINC000072397837 176395744 /nfs/dbraw/zinc/39/57/44/176395744.db2.gz GNRTYECGJXQSPO-CYBMUJFWSA-N 0 3 274.364 2.144 40 0 CEABHN COc1cc2c(cc1OC)C(=O)[C@@H](CN(C)C)CC2 ZINC000005677749 277393418 /nfs/dbraw/zinc/39/34/18/277393418.db2.gz JGSXOHUJTPAGBV-LLVKDONJSA-N 0 3 263.337 2.011 40 0 CEABHN COc1ccccc1[C@@H]1CN(C2CCOCC2)CCN1C ZINC000257300780 278060713 /nfs/dbraw/zinc/06/07/13/278060713.db2.gz RVQPZGCJSLNRQP-INIZCTEOSA-N 0 3 290.407 2.163 40 0 CEABHN CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](C(F)(F)F)C1 ZINC000144773164 278440407 /nfs/dbraw/zinc/44/04/07/278440407.db2.gz CUNVTZVWJLBPQS-YUMQZZPRSA-N 0 3 268.279 2.052 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1cccc(C)n1)C2 ZINC000096038997 185069033 /nfs/dbraw/zinc/06/90/33/185069033.db2.gz HHSVDHNVSJBKDN-DLBZAZTESA-N 0 3 290.407 2.408 40 0 CEABHN CN1CCOC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)C1 ZINC000096076210 185089459 /nfs/dbraw/zinc/08/94/59/185089459.db2.gz DEZZJVDSTPJPQM-KRWDZBQOSA-N 0 3 294.439 2.138 40 0 CEABHN CCOc1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000096624921 185108266 /nfs/dbraw/zinc/10/82/66/185108266.db2.gz XTDMIGMDXKTDMN-UHFFFAOYSA-N 0 3 262.353 2.366 40 0 CEABHN CCOc1ccc([C@@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036100788 361827660 /nfs/dbraw/zinc/82/76/60/361827660.db2.gz KZMZFCSIRMTEJX-XJKCOSOUSA-N 0 3 278.396 2.194 40 0 CEABHN C[C@H]1CN([C@@H](CN)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000036100515 361828417 /nfs/dbraw/zinc/82/84/17/361828417.db2.gz NLAGDHOLDUBGQI-MJVIPROJSA-N 0 3 268.788 2.449 40 0 CEABHN COc1ccc(C2(O)CCN(C(C)C)CC2)cc1OC ZINC000055192537 362545803 /nfs/dbraw/zinc/54/58/03/362545803.db2.gz NNPLFTNURNRRJY-UHFFFAOYSA-N 0 3 279.380 2.396 40 0 CEABHN Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(C)CC2)cc1 ZINC000073100594 363197995 /nfs/dbraw/zinc/19/79/95/363197995.db2.gz FJEKAFBNGOPTLW-CQSZACIVSA-N 0 3 290.407 2.220 40 0 CEABHN COc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000074921016 363418928 /nfs/dbraw/zinc/41/89/28/363418928.db2.gz JBKXGQJRCLLUOL-UHFFFAOYSA-N 0 3 262.353 2.366 40 0 CEABHN C[C@H](c1cccc(Cl)c1)N(C(=O)CN)C1CC1 ZINC000079421133 363598837 /nfs/dbraw/zinc/59/88/37/363598837.db2.gz YSXNIAKRQUVIOY-SECBINFHSA-N 0 3 252.745 2.351 40 0 CEABHN C[C@H](N)C(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000079420598 363598884 /nfs/dbraw/zinc/59/88/84/363598884.db2.gz AZQJOTCMKSPEMB-VIFPVBQESA-N 0 3 297.196 2.287 40 0 CEABHN CCN1C[C@@H]2CCC[C@@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000002700779 361245047 /nfs/dbraw/zinc/24/50/47/361245047.db2.gz ICFQVBLKMFUCBQ-BBRMVZONSA-N 0 3 289.423 2.340 40 0 CEABHN COC(=O)[C@@H](c1ccccc1)[C@]1(O)C[C@@H](C)N(C)C[C@@H]1C ZINC000013122903 361419730 /nfs/dbraw/zinc/41/97/30/361419730.db2.gz XGFOAXWEGYBKCA-SHFYGJNESA-N 0 3 291.391 2.034 40 0 CEABHN COc1ccccc1C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285276 361526433 /nfs/dbraw/zinc/52/64/33/361526433.db2.gz ZADOTEKMGLFTIQ-ZDUSSCGKSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccccc1C[N@H+]1CC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285276 361526437 /nfs/dbraw/zinc/52/64/37/361526437.db2.gz ZADOTEKMGLFTIQ-ZDUSSCGKSA-N 0 3 299.374 2.076 40 0 CEABHN Cc1ncc(CN(CCN(C)C)Cc2cccs2)n1C ZINC000019287302 361526696 /nfs/dbraw/zinc/52/66/96/361526696.db2.gz VUXDJXRXDJELLI-UHFFFAOYSA-N 0 3 292.452 2.354 40 0 CEABHN CCOC(=N)c1cccc(CN2CCC(O)CC2)c1 ZINC000089212565 363950031 /nfs/dbraw/zinc/95/00/31/363950031.db2.gz REFXBOONCBPFFH-UHFFFAOYSA-N 0 3 262.353 2.005 40 0 CEABHN NCc1cn(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000098213993 364538241 /nfs/dbraw/zinc/53/82/41/364538241.db2.gz HHJOODUJWUBFMJ-UHFFFAOYSA-N 0 3 255.243 2.409 40 0 CEABHN c1cncc(CN2CCC3(CC(Nc4ccncn4)C3)C2)c1 ZINC000257214502 190013284 /nfs/dbraw/zinc/01/32/84/190013284.db2.gz CMFGJCVQJKQYJC-UHFFFAOYSA-N 0 3 295.390 2.338 40 0 CEABHN CNc1ncccc1CN1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257216164 190013866 /nfs/dbraw/zinc/01/38/66/190013866.db2.gz CTKRMWAWFLTGDQ-CYBMUJFWSA-N 0 3 285.395 2.301 40 0 CEABHN CCCn1ccnc1CN1CCNC[C@@H]1c1ccccc1 ZINC000257252818 190020555 /nfs/dbraw/zinc/02/05/55/190020555.db2.gz JWFFNQJHZUDVBX-MRXNPFEDSA-N 0 3 284.407 2.440 40 0 CEABHN CN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257239905 190017535 /nfs/dbraw/zinc/01/75/35/190017535.db2.gz HRHUSLYMPZKAOX-UHFFFAOYSA-N 0 3 269.352 2.424 40 0 CEABHN CC(C)N1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257243875 190018895 /nfs/dbraw/zinc/01/88/95/190018895.db2.gz IIYJAMZHHXHNQK-GFCCVEGCSA-N 0 3 271.368 2.455 40 0 CEABHN CCn1nccc1-c1cnc(C[C@@H]2CCCN(C)C2)cn1 ZINC000257286438 190027243 /nfs/dbraw/zinc/02/72/43/190027243.db2.gz PLPILFNRIWDLCW-ZDUSSCGKSA-N 0 3 285.395 2.244 40 0 CEABHN NC(=O)c1cccc([C@@H]2CCCN2C2CCCC2)n1 ZINC000257333331 190035619 /nfs/dbraw/zinc/03/56/19/190035619.db2.gz YBCYZOPJQIADGX-AWEZNQCLSA-N 0 3 259.353 2.260 40 0 CEABHN OCC[C@@H]1CNCc2cccc(Br)c21 ZINC000095868223 285264404 /nfs/dbraw/zinc/26/44/04/285264404.db2.gz HMQHPXCWBYYQCA-SECBINFHSA-N 0 3 256.143 2.018 40 0 CEABHN CCCN1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216584 256710629 /nfs/dbraw/zinc/71/06/29/256710629.db2.gz CTMNVLLKNHPFBN-INIZCTEOSA-N 0 3 288.439 2.380 40 0 CEABHN COc1c2c(c(C(F)(F)F)c3c1CN(C)CC3)OCO2 ZINC000252508150 394571383 /nfs/dbraw/zinc/57/13/83/394571383.db2.gz XEKQTQPWVKBQHC-UHFFFAOYSA-N 0 3 289.253 2.431 40 0 CEABHN Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1C ZINC000072219640 394594707 /nfs/dbraw/zinc/59/47/07/394594707.db2.gz ROFHTNGNDVYMKN-OAHLLOKOSA-N 0 3 275.396 2.383 40 0 CEABHN Cc1ccc(NC(=S)NCCN(C)C)cc1C ZINC000007526530 170289302 /nfs/dbraw/zinc/28/93/02/170289302.db2.gz ZLPSRURNFAEKLD-UHFFFAOYSA-N 0 3 251.399 2.151 40 0 CEABHN CN1CCC[C@H](CNC(=S)Nc2ccccc2)C1 ZINC000009876091 170388037 /nfs/dbraw/zinc/38/80/37/170388037.db2.gz XPCBNUOPRIYXMJ-GFCCVEGCSA-N 0 3 263.410 2.315 40 0 CEABHN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCN(C)C ZINC000010111688 170397729 /nfs/dbraw/zinc/39/77/29/170397729.db2.gz IVARFLDVJBBQGH-ZDUSSCGKSA-N 0 3 292.423 2.429 40 0 CEABHN N[C@H](Cc1nc(-c2ccncc2)no1)c1ccccc1 ZINC000020551795 171247517 /nfs/dbraw/zinc/24/75/17/171247517.db2.gz RAEMHQPOHCSLLX-CYBMUJFWSA-N 0 3 266.304 2.374 40 0 CEABHN COc1ccc2c(c1)[C@H](O)[C@H](NCc1ccccc1)C2 ZINC000031912093 171658936 /nfs/dbraw/zinc/65/89/36/171658936.db2.gz QOAGIRXXYXCYCD-SJORKVTESA-N 0 3 269.344 2.443 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000037802943 173741309 /nfs/dbraw/zinc/74/13/09/173741309.db2.gz FHMVGIFJHYNCJG-GWCFXTLKSA-N 0 3 252.333 2.328 40 0 CEABHN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCN(C)C ZINC000038755019 174154727 /nfs/dbraw/zinc/15/47/27/174154727.db2.gz YGVHNJKDQRNSPT-HNNXBMFYSA-N 0 3 278.396 2.139 40 0 CEABHN COc1ccc([C@@H](CN)N2CCC(C)CC2)cc1OC ZINC000038808920 174156603 /nfs/dbraw/zinc/15/66/03/174156603.db2.gz YBNQCSUGMRKFHD-CQSZACIVSA-N 0 3 278.396 2.436 40 0 CEABHN CCOC(=O)C[C@@H](c1ccc(OC)cc1)N(C)C ZINC000072210290 176342765 /nfs/dbraw/zinc/34/27/65/176342765.db2.gz DREMLXMADRUZDQ-ZDUSSCGKSA-N 0 3 251.326 2.251 40 0 CEABHN OC[C@H]1CCCN(Cc2cccn2-c2cccnc2)C1 ZINC000072397792 176395455 /nfs/dbraw/zinc/39/54/55/176395455.db2.gz WJIKCWUJUHFSAM-AWEZNQCLSA-N 0 3 271.364 2.077 40 0 CEABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096048099 276339817 /nfs/dbraw/zinc/33/98/17/276339817.db2.gz FQQOKWMAZXNRDL-AWEZNQCLSA-N 0 3 265.353 2.440 40 0 CEABHN CN(C)C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000009970708 289189677 /nfs/dbraw/zinc/18/96/77/289189677.db2.gz QHOISADSPHRGIG-BHPKHCPMSA-N 0 3 255.402 2.140 40 0 CEABHN COc1ccc(C)c2c(N3CCNCC3)cc(C)nc12 ZINC000084191301 536786078 /nfs/dbraw/zinc/78/60/78/536786078.db2.gz ZFZPDLUTMGWZOG-UHFFFAOYSA-N 0 3 271.364 2.270 40 0 CEABHN COc1ccc([C@H](N)c2nc(C(C)(C)C)n[nH]2)cc1 ZINC000095533735 185006840 /nfs/dbraw/zinc/00/68/40/185006840.db2.gz DUCWNSLQBGTMGI-NSHDSACASA-N 0 3 260.341 2.159 40 0 CEABHN COc1ccc([C@H](N)c2nnc(C(C)(C)C)[nH]2)cc1 ZINC000095533735 185006841 /nfs/dbraw/zinc/00/68/41/185006841.db2.gz DUCWNSLQBGTMGI-NSHDSACASA-N 0 3 260.341 2.159 40 0 CEABHN COc1ccc([C@H](N)c2n[nH]c(C(C)(C)C)n2)cc1 ZINC000095533735 185006842 /nfs/dbraw/zinc/00/68/42/185006842.db2.gz DUCWNSLQBGTMGI-NSHDSACASA-N 0 3 260.341 2.159 40 0 CEABHN [NH3+][C@H](Cc1ccccc1)c1nnc(-c2ccco2)[n-]1 ZINC000095534823 185007932 /nfs/dbraw/zinc/00/79/32/185007932.db2.gz LDPXCDVQEVKNNU-LLVKDONJSA-N 0 3 254.293 2.307 40 0 CEABHN N[C@H](Cc1ccccc1)c1nc(-c2ccco2)n[nH]1 ZINC000095534823 185007933 /nfs/dbraw/zinc/00/79/33/185007933.db2.gz LDPXCDVQEVKNNU-LLVKDONJSA-N 0 3 254.293 2.307 40 0 CEABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccccn1)CC2 ZINC000096047504 185072842 /nfs/dbraw/zinc/07/28/42/185072842.db2.gz FBDQBYLYIACXTE-QGZVFWFLSA-N 0 3 287.407 2.449 40 0 CEABHN CC(C)Oc1ncnc2c1CCN(CC1CC1)CC2 ZINC000096058785 185078498 /nfs/dbraw/zinc/07/84/98/185078498.db2.gz MUFHXKNROOISTP-UHFFFAOYSA-N 0 3 261.369 2.074 40 0 CEABHN c1nc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)c[nH]1 ZINC000096073009 185088813 /nfs/dbraw/zinc/08/88/13/185088813.db2.gz WXTBMCINQWCSHK-HNNXBMFYSA-N 0 3 298.390 2.343 40 0 CEABHN c1ncc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)[nH]1 ZINC000096073009 185088815 /nfs/dbraw/zinc/08/88/15/185088815.db2.gz WXTBMCINQWCSHK-HNNXBMFYSA-N 0 3 298.390 2.343 40 0 CEABHN COc1ccc(CN(C(=O)[C@@H](N)C(C)C)C2CC2)cc1 ZINC000037801554 361944325 /nfs/dbraw/zinc/94/43/25/361944325.db2.gz USFZCHNDTXNAQB-HNNXBMFYSA-N 0 3 276.380 2.170 40 0 CEABHN COc1ccccc1CN(C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000037816862 361949286 /nfs/dbraw/zinc/94/92/86/361949286.db2.gz CVHASCLIIWXKJC-HNNXBMFYSA-N 0 3 276.380 2.170 40 0 CEABHN CCC(CC)NC(=O)c1cnc([C@@H]2CCCN2)nc1C ZINC000019766772 343374584 /nfs/dbraw/zinc/37/45/84/343374584.db2.gz HKUXQACHLKXLAN-ZDUSSCGKSA-N 0 3 276.384 2.128 40 0 CEABHN N[C@H](C[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409440103 344889729 /nfs/dbraw/zinc/88/97/29/344889729.db2.gz JPBIMQFWRADWCT-CHWSQXEVSA-N 0 3 282.771 2.279 40 0 CEABHN CC(C)CNC1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898260 362931298 /nfs/dbraw/zinc/93/12/98/362931298.db2.gz LFINQZIIYKOAKJ-UHFFFAOYSA-N 0 3 287.363 2.294 40 0 biogenic,in-vitro CEABHN CCOC[C@@H]1CNCc2cn(CC3CCCC3)nc21 ZINC000107491100 186176083 /nfs/dbraw/zinc/17/60/83/186176083.db2.gz ZIWCLBGXDCFSAB-AWEZNQCLSA-N 0 3 263.385 2.297 40 0 CEABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccco1)C2 ZINC000108524624 186221228 /nfs/dbraw/zinc/22/12/28/186221228.db2.gz YLFKXFAUQCEXAA-UKRRQHHQSA-N 0 3 262.353 2.018 40 0 CEABHN CN(C)c1nc2ccccc2cc1CN1CCC[C@@H](O)C1 ZINC000072397805 363132596 /nfs/dbraw/zinc/13/25/96/363132596.db2.gz ONMVZLKPZWGFPT-OAHLLOKOSA-N 0 3 285.391 2.258 40 0 CEABHN C[C@H](N)C(=O)N(C)Cc1cc(Cl)ccc1Cl ZINC000079420261 363598782 /nfs/dbraw/zinc/59/87/82/363598782.db2.gz SOJKNNWOYKPXTR-ZETCQYMHSA-N 0 3 261.152 2.299 40 0 CEABHN C[C@@H](c1cccc(Cl)c1)N(C(=O)CN)C1CC1 ZINC000079421130 363599131 /nfs/dbraw/zinc/59/91/31/363599131.db2.gz YSXNIAKRQUVIOY-VIFPVBQESA-N 0 3 252.745 2.351 40 0 CEABHN Cc1cc(C)c2cc(CNC3CC3)c3nn(C)c(=O)n3c2c1 ZINC000012325218 361377915 /nfs/dbraw/zinc/37/79/15/361377915.db2.gz SQUYNCFOMZLYQG-UHFFFAOYSA-N 0 3 296.374 2.055 40 0 CEABHN COc1ccc([C@H](N)CNC(=O)OC(C)(C)C)cc1OC ZINC000012357117 361378902 /nfs/dbraw/zinc/37/89/02/361378902.db2.gz CBRLLEQPSYHBMS-LLVKDONJSA-N 0 3 296.367 2.228 40 0 CEABHN CCc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000019522519 361541433 /nfs/dbraw/zinc/54/14/33/361541433.db2.gz AFDAUQGIYIERMF-AWEZNQCLSA-N 0 3 298.390 2.107 40 0 CEABHN NCc1cncn1Cc1ccccc1C(F)(F)F ZINC000090242342 364050943 /nfs/dbraw/zinc/05/09/43/364050943.db2.gz MYCBTUOMNKZNNK-UHFFFAOYSA-N 0 3 255.243 2.409 40 0 CEABHN CN(C)C(=O)CN1CCC2(C=Cc3ccccc32)CC1 ZINC000096161154 364403431 /nfs/dbraw/zinc/40/34/31/364403431.db2.gz RHBFMGWBEXKUJV-UHFFFAOYSA-N 0 3 270.376 2.135 40 0 CEABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)co1 ZINC000096206873 364410942 /nfs/dbraw/zinc/41/09/42/364410942.db2.gz HFZCUYYKFNNQFY-HZPDHXFCSA-N 0 3 277.364 2.155 40 0 CEABHN CCOC[C@H]1Cn2cncc2CN(CC2CCC2)C1 ZINC000096207644 364411342 /nfs/dbraw/zinc/41/13/42/364411342.db2.gz KVWINNQXAXBOER-CQSZACIVSA-N 0 3 263.385 2.152 40 0 CEABHN CO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096218403 364413007 /nfs/dbraw/zinc/41/30/07/364413007.db2.gz KCHYSWAQCJBRHZ-GJZGRUSLSA-N 0 3 265.353 2.358 40 0 CEABHN c1ccc(C[C@H]2CN(C3CCOCC3)CCO2)cc1 ZINC000161679672 367104995 /nfs/dbraw/zinc/10/49/95/367104995.db2.gz OAUSKDBSWDQYQN-INIZCTEOSA-N 0 3 261.365 2.109 40 0 CEABHN [NH3+]CC1CCC(c2ccnc([N-]c3cnccn3)n2)CC1 ZINC000257206012 190011179 /nfs/dbraw/zinc/01/11/79/190011179.db2.gz BBMXNMBPPUFQFE-UHFFFAOYSA-N 0 3 284.367 2.243 40 0 CEABHN CC1(c2nccs2)CCN(C(=O)CN2CCCC2)CC1 ZINC000257208992 190012012 /nfs/dbraw/zinc/01/20/12/190012012.db2.gz BOMHRBNGLVUYHZ-UHFFFAOYSA-N 0 3 293.436 2.119 40 0 CEABHN CCN1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257329965 190034764 /nfs/dbraw/zinc/03/47/64/190034764.db2.gz XMFOWSKXNFUWFL-KBPBESRZSA-N 0 3 253.317 2.050 40 0 CEABHN O=C1N[C@@H]2c3c(Cl)sc(Cl)c3C(=O)C2O1 ZINC000001651598 296391517 /nfs/dbraw/zinc/39/15/17/296391517.db2.gz BYWUOXFHZWXCQT-NQXXGFSBSA-N 0 3 264.089 2.401 40 0 CEABHN COc1cccc(NCCc2nnc([C@@H](N)C(C)C)[nH]2)c1 ZINC000095534744 256745325 /nfs/dbraw/zinc/74/53/25/256745325.db2.gz KAIWZTIPMIZNCY-AWEZNQCLSA-N 0 3 289.383 2.124 40 0 CEABHN COc1cccc(NCCc2nc([C@@H](N)C(C)C)n[nH]2)c1 ZINC000095534744 256745327 /nfs/dbraw/zinc/74/53/27/256745327.db2.gz KAIWZTIPMIZNCY-AWEZNQCLSA-N 0 3 289.383 2.124 40 0 CEABHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1O ZINC000005339257 394458042 /nfs/dbraw/zinc/45/80/42/394458042.db2.gz LYDWUTUOAGCHNM-CQDKDKBSSA-N 0 3 291.391 2.394 40 0 CEABHN CCNc1ncc(CNCCc2ccccc2)cn1 ZINC000062717523 394570995 /nfs/dbraw/zinc/57/09/95/394570995.db2.gz WHVRXIBEKKKCSV-UHFFFAOYSA-N 0 3 256.353 2.241 40 0 CEABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCN(C)CC1 ZINC000072222570 394594568 /nfs/dbraw/zinc/59/45/68/394594568.db2.gz QZVCYHDBQDTCEV-KRWDZBQOSA-N 0 3 296.418 2.190 40 0 CEABHN Cc1nc(N2CCN(C)CC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224657 394594614 /nfs/dbraw/zinc/59/46/14/394594614.db2.gz KBPQFABCQAIEIG-SFHVURJKSA-N 0 3 296.418 2.190 40 0 CEABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C)C1 ZINC000072352551 394598496 /nfs/dbraw/zinc/59/84/96/394598496.db2.gz VVAKWBLADKTCFQ-SNVBAGLBSA-N 0 3 289.404 2.417 40 0 CEABHN CCc1ncnc2c1CCN(Cc1ccco1)CC2 ZINC000096058603 394675259 /nfs/dbraw/zinc/67/52/59/394675259.db2.gz VKQPEECUODFFCE-UHFFFAOYSA-N 0 3 257.337 2.233 40 0 CEABHN O[C@H](COc1ccccc1)CN1CCc2ccccc2C1 ZINC000006529955 170210949 /nfs/dbraw/zinc/21/09/49/170210949.db2.gz YXZACQIXSNSCCQ-KRWDZBQOSA-N 0 3 283.371 2.485 40 0 CEABHN OCCN[C@H](Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000006580776 170215188 /nfs/dbraw/zinc/21/51/88/170215188.db2.gz XZWQYZONYJHSGY-OAHLLOKOSA-N 0 3 285.343 2.281 40 0 CEABHN Cc1cccc(NC(=O)CNCCN2CCCCC2)c1C ZINC000035311501 172122361 /nfs/dbraw/zinc/12/23/61/172122361.db2.gz NIPONSOSPMCAPK-UHFFFAOYSA-N 0 3 289.423 2.317 40 0 CEABHN c1ccc(N2CCCN(Cc3ccncc3)CC2)nc1 ZINC000072351001 176373502 /nfs/dbraw/zinc/37/35/02/176373502.db2.gz WEJXQOYCYYWEFT-UHFFFAOYSA-N 0 3 268.364 2.189 40 0 CEABHN CN1CCC(c2nccnc2NCc2ccncc2)CC1 ZINC000072364979 176380108 /nfs/dbraw/zinc/38/01/08/176380108.db2.gz DBTJRDMWVQLCHU-UHFFFAOYSA-N 0 3 283.379 2.293 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1nccs1 ZINC000079436406 177490297 /nfs/dbraw/zinc/49/02/97/177490297.db2.gz ZHKAVAMWGLKIBG-QWRGUYRKSA-N 0 3 269.414 2.424 40 0 CEABHN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CN ZINC000071606337 275521263 /nfs/dbraw/zinc/52/12/63/275521263.db2.gz VHKNZTWMVNWAOC-CYBMUJFWSA-N 0 3 262.353 2.480 40 0 CEABHN CC(C)Nc1ncc(CNC[C@H](O)c2ccccc2)cn1 ZINC000062717625 333175879 /nfs/dbraw/zinc/17/58/79/333175879.db2.gz CLXZRCQMBMYQIM-HNNXBMFYSA-N 0 3 286.379 2.120 40 0 CEABHN CCOc1ccccc1NC(=S)NC1CCN(C)CC1 ZINC000013775598 528746925 /nfs/dbraw/zinc/74/69/25/528746925.db2.gz HUMAMCJKNWJVKC-UHFFFAOYSA-N 0 3 293.436 2.466 40 0 CEABHN COc1ccc(OCc2nnc([C@H]([NH3+])C(C)C)[n-]2)cc1 ZINC000095534739 185005754 /nfs/dbraw/zinc/00/57/54/185005754.db2.gz GSBFUBFQPITBHB-CYBMUJFWSA-N 0 3 276.340 2.048 40 0 CEABHN COc1ccc(OCc2n[n-]c([C@H]([NH3+])C(C)C)n2)cc1 ZINC000095534739 185005755 /nfs/dbraw/zinc/00/57/55/185005755.db2.gz GSBFUBFQPITBHB-CYBMUJFWSA-N 0 3 276.340 2.048 40 0 CEABHN COc1ccc(CN2CCc3ncnc(OC)c3CC2)cc1 ZINC000096058739 185078977 /nfs/dbraw/zinc/07/89/77/185078977.db2.gz QTLHKXHWZFNRKQ-UHFFFAOYSA-N 0 3 299.374 2.095 40 0 CEABHN Cn1cc2c(n1)[C@H](COCC1CC1)CN(CC1CC1)C2 ZINC000096059864 185081555 /nfs/dbraw/zinc/08/15/55/185081555.db2.gz JDUDVFQXSXKBOK-HNNXBMFYSA-N 0 3 275.396 2.156 40 0 CEABHN CCOC[C@@H]1CC2(CO1)CCN(Cc1ccccn1)CC2 ZINC000096105870 185098639 /nfs/dbraw/zinc/09/86/39/185098639.db2.gz IKIYZMSZWYBCNA-INIZCTEOSA-N 0 3 290.407 2.489 40 0 CEABHN CC(C)[C@@H](C(=N)NO)N(C(=O)OC(C)(C)C)C1CC1 ZINC000409442442 344890178 /nfs/dbraw/zinc/89/01/78/344890178.db2.gz VCWQREZZVCXDLM-JTQLQIEISA-N 0 3 271.361 2.367 40 0 CEABHN OC[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000090726867 180032849 /nfs/dbraw/zinc/03/28/49/180032849.db2.gz JFGJABRNVYTSPQ-GFCCVEGCSA-N 0 3 259.271 2.433 40 0 CEABHN OCC(CO)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000091361987 180141614 /nfs/dbraw/zinc/14/16/14/180141614.db2.gz LGOWMIBQEVVRKX-UHFFFAOYSA-N 0 3 297.398 2.309 40 0 CEABHN O=C(C[C@H]1[C@H]2CN(Cc3ccsc3)C[C@@H]12)N1CCCC1 ZINC000107745886 186189170 /nfs/dbraw/zinc/18/91/70/186189170.db2.gz QBABJBRIZZQOLL-QDMKHBRRSA-N 0 3 290.432 2.438 40 0 CEABHN COc1ccc(NC(=O)CC2CCN(C)CC2)c(OC)c1 ZINC000074921023 363418745 /nfs/dbraw/zinc/41/87/45/363418745.db2.gz PXTADRSKPVTUKG-UHFFFAOYSA-N 0 3 292.379 2.374 40 0 CEABHN COC(=O)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000074921036 363418867 /nfs/dbraw/zinc/41/88/67/363418867.db2.gz OEZKGFIVPYFMGS-UHFFFAOYSA-N 0 3 290.363 2.144 40 0 CEABHN C1CN[C@@H](c2nc([C@@H]3CCCSCC3)no2)C1 ZINC000575415041 366281201 /nfs/dbraw/zinc/28/12/01/366281201.db2.gz LXHDUNREGKZGCJ-NXEZZACHSA-N 0 3 253.371 2.495 40 0 CEABHN CCN(Cc1cccc(Cl)c1Cl)C(=O)CN ZINC000079420832 363598526 /nfs/dbraw/zinc/59/85/26/363598526.db2.gz SBGHTJLQZLZOBP-UHFFFAOYSA-N 0 3 261.152 2.301 40 0 CEABHN NCc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000084267698 363805569 /nfs/dbraw/zinc/80/55/69/363805569.db2.gz XPOVAEFJAUYCFD-UHFFFAOYSA-N 0 3 261.346 2.119 40 0 CEABHN CC(C)(C)OC(=O)N[C@H]1CNC[C@H](C(F)(F)F)C1 ZINC000095644263 364393327 /nfs/dbraw/zinc/39/33/27/364393327.db2.gz CUNVTZVWJLBPQS-HTQZYQBOSA-N 0 3 268.279 2.052 40 0 CEABHN COCCN1CCN(CC2CC2)Cc2ccc(C)nc21 ZINC000096199041 364408876 /nfs/dbraw/zinc/40/88/76/364408876.db2.gz WQFZFDUWZQCXIH-UHFFFAOYSA-N 0 3 275.396 2.068 40 0 CEABHN Cc1cc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)c(C)o1 ZINC000096215247 364413071 /nfs/dbraw/zinc/41/30/71/364413071.db2.gz CWOYANSJXZHWHZ-MRXNPFEDSA-N 0 3 276.380 2.454 40 0 CEABHN CN1CCCC[C@@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096217578 364413423 /nfs/dbraw/zinc/41/34/23/364413423.db2.gz GZCSOBHEVYZEIE-INIZCTEOSA-N 0 3 273.380 2.172 40 0 CEABHN CC(C)Oc1cccc(NC(=S)NCCN(C)C)c1 ZINC000225404402 189749560 /nfs/dbraw/zinc/74/95/60/189749560.db2.gz NZRCACAZUNSVKF-UHFFFAOYSA-N 0 3 281.425 2.322 40 0 CEABHN COc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1 ZINC000217556283 370196729 /nfs/dbraw/zinc/19/67/29/370196729.db2.gz LNRJIKLYLYKQRM-CQSZACIVSA-N 0 3 295.346 2.224 40 0 CEABHN c1coc(Cc2ccc(CNC[C@@H]3CCCO3)[nH]2)c1 ZINC000226021125 370327196 /nfs/dbraw/zinc/32/71/96/370327196.db2.gz BANVPACIIQLRJV-HNNXBMFYSA-N 0 3 260.337 2.467 40 0 CEABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccsc1)C2 ZINC000247957414 371150878 /nfs/dbraw/zinc/15/08/78/371150878.db2.gz PCOOAHQOSIDBAW-DZGCQCFKSA-N 0 3 278.421 2.486 40 0 CEABHN Cc1c[nH]c([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257211446 190012170 /nfs/dbraw/zinc/01/21/70/190012170.db2.gz BYWRYLPVNJFTLE-CQSZACIVSA-N 0 3 256.353 2.493 40 0 CEABHN CN1CCC[C@H](c2cncc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257212079 190013226 /nfs/dbraw/zinc/01/32/26/190013226.db2.gz CBVIEAUMDWLTSW-NSHDSACASA-N 0 3 290.367 2.021 40 0 CEABHN CCn1cc(CN2CCC[C@@H](c3ccncn3)C2)c(C)n1 ZINC000257290726 190027439 /nfs/dbraw/zinc/02/74/39/190027439.db2.gz QEBPXZUSMXUDMJ-CQSZACIVSA-N 0 3 285.395 2.381 40 0 CEABHN c1ccc(CN2CCOC[C@H](Cc3cnccn3)C2)cc1 ZINC000257272578 190024475 /nfs/dbraw/zinc/02/44/75/190024475.db2.gz NCXYPTXISOBWIT-MRXNPFEDSA-N 0 3 283.375 2.168 40 0 CEABHN Cc1cn(C)c([C@@H]2CCN(Cc3cncs3)C2)n1 ZINC000257338794 190037322 /nfs/dbraw/zinc/03/73/22/190037322.db2.gz YZABAKPTYJKFSD-LLVKDONJSA-N 0 3 262.382 2.175 40 0 CEABHN CCOC(=O)[C@H]1CCCCN1c1ccccc1CN ZINC000026896367 394479400 /nfs/dbraw/zinc/47/94/00/394479400.db2.gz ZRSOSINNYDFJBU-CQSZACIVSA-N 0 3 262.353 2.067 40 0 CEABHN COc1ccc([C@@H]2CN(C3CCOCC3)CCN2C)cc1 ZINC000257282442 394595571 /nfs/dbraw/zinc/59/55/71/394595571.db2.gz OTUGADXVVWEWDK-KRWDZBQOSA-N 0 3 290.407 2.163 40 0 CEABHN CN(C)CCNC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005674769 170126879 /nfs/dbraw/zinc/12/68/79/170126879.db2.gz KNCZTFCJMCBBCW-UHFFFAOYSA-N 0 3 275.274 2.389 40 0 CEABHN NCc1cn(Cc2cccc(Br)c2)cn1 ZINC000071598289 176222274 /nfs/dbraw/zinc/22/22/74/176222274.db2.gz LNSKFIXPJDLYKM-UHFFFAOYSA-N 0 3 266.142 2.153 40 0 CEABHN Cc1cc(C)nc([N-]c2cncc([C@@H]3CCC[NH2+]3)n2)n1 ZINC000072376506 176384907 /nfs/dbraw/zinc/38/49/07/176384907.db2.gz YKKZBGGRSQBPER-NSHDSACASA-N 0 3 270.340 2.052 40 0 CEABHN Cc1c(Cl)ccc2c(=O)c3c(n(C)c12)CCNC3 ZINC000072221279 280230099 /nfs/dbraw/zinc/23/00/99/280230099.db2.gz WSPZBISFVJJRSB-UHFFFAOYSA-N 0 3 262.740 2.146 40 0 CEABHN CN(C)CCNC(=O)CSCc1ccccc1Cl ZINC000010111502 230370763 /nfs/dbraw/zinc/37/07/63/230370763.db2.gz LLJYAGUVOGOBRJ-UHFFFAOYSA-N 0 3 286.828 2.251 40 0 CEABHN CC[C@@H]1N(Cc2ccncc2)CCC[C@]12CCC(=O)N2C ZINC000096052422 185075060 /nfs/dbraw/zinc/07/50/60/185075060.db2.gz OEJAVFFXJVVWCO-RDJZCZTQSA-N 0 3 287.407 2.447 40 0 CEABHN O=C(c1ccco1)N1C[C@H]2CCCN(CC3CC3)[C@H]2C1 ZINC000096054199 185076100 /nfs/dbraw/zinc/07/61/00/185076100.db2.gz YJPZIYFLUBHQIX-KGLIPLIRSA-N 0 3 274.364 2.226 40 0 CEABHN c1cncc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096055839 185076116 /nfs/dbraw/zinc/07/61/16/185076116.db2.gz ZOXMDKOUXSTWNU-HDICACEKSA-N 0 3 294.402 2.325 40 0 CEABHN COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)O1 ZINC000096056380 185077259 /nfs/dbraw/zinc/07/72/59/185077259.db2.gz UOZXZUPJFRUUCN-BRWVUGGUSA-N 0 3 291.391 2.464 40 0 CEABHN c1cc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)ccn1 ZINC000096058006 185079212 /nfs/dbraw/zinc/07/92/12/185079212.db2.gz LFOWWASNEKEAAP-GVDBMIGSSA-N 0 3 288.391 2.240 40 0 CEABHN c1c2c(nn1CC1CC1)[C@H](CNCc1cccnc1)OCC2 ZINC000096059753 185080227 /nfs/dbraw/zinc/08/02/27/185080227.db2.gz ZLZPUTRUEVUSKV-INIZCTEOSA-N 0 3 298.390 2.092 40 0 CEABHN c1c2c(nn1CC1CC1)[C@@H](CNCc1ccncc1)OCC2 ZINC000096059754 185081444 /nfs/dbraw/zinc/08/14/44/185081444.db2.gz OBLOIHVNLLTNHM-MRXNPFEDSA-N 0 3 298.390 2.092 40 0 CEABHN c1ccc(N2CC[C@]3(C2)COCCN(CC2CC2)C3)nc1 ZINC000096062488 185082452 /nfs/dbraw/zinc/08/24/52/185082452.db2.gz QKXNXKFYCODMCP-KRWDZBQOSA-N 0 3 287.407 2.020 40 0 CEABHN COCCN1CC[C@H](OCC2CC2)[C@@H]1Cc1ccncc1 ZINC000096070004 185085263 /nfs/dbraw/zinc/08/52/63/185085263.db2.gz SPEJJSLEXYQSMK-IRXDYDNUSA-N 0 3 290.407 2.140 40 0 CEABHN CCOC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000096624967 185107648 /nfs/dbraw/zinc/10/76/48/185107648.db2.gz HMFIYXKYZLWIOX-UHFFFAOYSA-N 0 3 290.363 2.144 40 0 CEABHN Cc1nc(-c2ccc(F)cc2)cc(N2CCNCC2)n1 ZINC000070458543 363086132 /nfs/dbraw/zinc/08/61/32/363086132.db2.gz NIPPGTWNHAAMCV-UHFFFAOYSA-N 0 3 272.327 2.001 40 0 CEABHN CCOc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000074713364 363375532 /nfs/dbraw/zinc/37/55/32/363375532.db2.gz UHFNNKVJFFMVGJ-UHFFFAOYSA-N 0 3 262.353 2.366 40 0 CEABHN C[C@H](N)C(=O)N([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000079421298 363598538 /nfs/dbraw/zinc/59/85/38/363598538.db2.gz IEEXXKMPAGWLBT-UWVGGRQHSA-N 0 3 250.317 2.225 40 0 CEABHN CCN(Cc1ccccc1)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079416095 363598805 /nfs/dbraw/zinc/59/88/05/363598805.db2.gz UFZDJRQCPWPZAI-UHFFFAOYSA-N 0 3 276.380 2.058 40 0 CEABHN CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000079416098 363599199 /nfs/dbraw/zinc/59/91/99/363599199.db2.gz WOFLSSMFJFPPCE-INIZCTEOSA-N 0 3 290.407 2.305 40 0 CEABHN CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000079416098 363599204 /nfs/dbraw/zinc/59/92/04/363599204.db2.gz WOFLSSMFJFPPCE-INIZCTEOSA-N 0 3 290.407 2.305 40 0 CEABHN Cn1c(N)ncc1-c1ccccc1Br ZINC000082169092 363752912 /nfs/dbraw/zinc/75/29/12/363752912.db2.gz JUTNJSJGJFIRCG-UHFFFAOYSA-N 0 3 252.115 2.432 40 0 CEABHN S=c1[nH]cnc2c1CN(Cc1ccccc1)CC2 ZINC000006575026 361336901 /nfs/dbraw/zinc/33/69/01/361336901.db2.gz XEDNNPJNCXRMLD-UHFFFAOYSA-N 0 3 257.362 2.324 40 0 CEABHN Cc1cc(=O)[nH]c([C@@H]2CCN(Cc3ccccc3F)C2)n1 ZINC000019118478 361520116 /nfs/dbraw/zinc/52/01/16/361520116.db2.gz XPDDWESROHOWLD-CYBMUJFWSA-N 0 3 287.338 2.207 40 0 CEABHN NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1 ZINC000019257203 361522747 /nfs/dbraw/zinc/52/27/47/361522747.db2.gz FPZBEIKKHBJYEH-LBPRGKRZSA-N 0 3 275.179 2.325 40 0 CEABHN CCN(CC)CCNCc1ccc(OC)c(OC)c1OC ZINC000019919150 361567787 /nfs/dbraw/zinc/56/77/87/361567787.db2.gz YLGLWFDGTDAHLI-UHFFFAOYSA-N 0 3 296.411 2.144 40 0 CEABHN CN(C)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189445 364407673 /nfs/dbraw/zinc/40/76/73/364407673.db2.gz UMCHRHJKKOEWOJ-UHFFFAOYSA-N 0 3 271.364 2.295 40 0 CEABHN O[C@H]1CCN(Cc2cccc(F)c2)[C@H]1Cc1cccnc1 ZINC000096200465 364411187 /nfs/dbraw/zinc/41/11/87/364411187.db2.gz QJGNHSCRXUDRHG-IRXDYDNUSA-N 0 3 286.350 2.399 40 0 CEABHN Cc1cc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)c(C)o1 ZINC000096215246 364412741 /nfs/dbraw/zinc/41/27/41/364412741.db2.gz CWOYANSJXZHWHZ-INIZCTEOSA-N 0 3 276.380 2.454 40 0 CEABHN CNC(=O)N[C@H]1c2cccc(F)c2[C@H]2CN(C(C)C)C[C@@H]12 ZINC000096261714 364418396 /nfs/dbraw/zinc/41/83/96/364418396.db2.gz QVRUSRPEZSWQGA-ZOWXZIJZSA-N 0 3 291.370 2.233 40 0 CEABHN OC[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000102225120 364587478 /nfs/dbraw/zinc/58/74/78/364587478.db2.gz JVJIYCXIYVNRHB-NEPJUHHUSA-N 0 3 259.271 2.289 40 0 CEABHN CN1CC[C@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000585101744 367177121 /nfs/dbraw/zinc/17/71/21/367177121.db2.gz DHIGYMMVLQXNMP-KRWDZBQOSA-N 0 3 272.392 2.316 40 0 CEABHN CC(C)N1C[C@]2(CCCN(CC3CC(F)(F)C3)C2)C1=O ZINC000585099334 367177924 /nfs/dbraw/zinc/17/79/24/367177924.db2.gz FYTLARQUYQUGKZ-CQSZACIVSA-N 0 3 286.366 2.365 40 0 CEABHN Cn1cc(Cc2ccc(Br)cc2)nc1N ZINC000199550910 370149220 /nfs/dbraw/zinc/14/92/20/370149220.db2.gz MDFDWIVBZLNKKU-UHFFFAOYSA-N 0 3 266.142 2.356 40 0 CEABHN COc1ccc(-c2ccc3nnc([C@@H](N)C(C)C)n3n2)cc1 ZINC000217565375 370199046 /nfs/dbraw/zinc/19/90/46/370199046.db2.gz WAJWOSLIOBLJNV-HNNXBMFYSA-N 0 3 297.362 2.456 40 0 CEABHN CCCn1cc(CNCCN(CC)CC)c(C)n1 ZINC000256054781 190005384 /nfs/dbraw/zinc/00/53/84/190005384.db2.gz XSXNDKDOKBDHLO-UHFFFAOYSA-N 0 3 252.406 2.033 40 0 CEABHN COCCCNCc1cc(C2CC2)nn1C(C)C ZINC000256050930 190003634 /nfs/dbraw/zinc/00/36/34/190003634.db2.gz HAUXDXLMJQQBQJ-UHFFFAOYSA-N 0 3 251.374 2.468 40 0 CEABHN Cn1cc(CN2CCC(Cc3ccncc3)CC2)cn1 ZINC000257205847 190011524 /nfs/dbraw/zinc/01/15/24/190011524.db2.gz BAVJCVAILMMSDT-UHFFFAOYSA-N 0 3 270.380 2.270 40 0 CEABHN CC(C)N1CCC[C@H](c2nccnc2-c2ccnn2C)C1 ZINC000257229033 190016108 /nfs/dbraw/zinc/01/61/08/190016108.db2.gz FWKKCMXBDLXBSK-ZDUSSCGKSA-N 0 3 285.395 2.465 40 0 CEABHN CN1CCC[C@@H](c2ccnc(C(=O)NCC3CC3)c2)C1 ZINC000257245184 190019155 /nfs/dbraw/zinc/01/91/55/190019155.db2.gz IOKONQJFVQYGPM-CQSZACIVSA-N 0 3 273.380 2.031 40 0 CEABHN Cc1cc(-c2ccnn2C)nc(CC2CCN(C)CC2)n1 ZINC000257246150 190019318 /nfs/dbraw/zinc/01/93/18/190019318.db2.gz ISTNVCGQIXLPOW-UHFFFAOYSA-N 0 3 285.395 2.070 40 0 CEABHN CCc1nc(C)c(CN2CCC[C@@H](c3cc[nH]n3)C2)[nH]1 ZINC000257255008 190021228 /nfs/dbraw/zinc/02/12/28/190021228.db2.gz KFSNPQLOQKEEJX-GFCCVEGCSA-N 0 3 273.384 2.383 40 0 CEABHN CNC(=O)c1ncccc1-c1cccc(CN(C)C)c1 ZINC000257289181 190027614 /nfs/dbraw/zinc/02/76/14/190027614.db2.gz PXJAGLDIQRGKNZ-UHFFFAOYSA-N 0 3 269.348 2.170 40 0 CEABHN O[C@H]1CCN(Cc2ccnc3ccccc23)C[C@@]12CCCO2 ZINC000257297520 190029769 /nfs/dbraw/zinc/02/97/69/190029769.db2.gz RHPZAQGNZZTMLS-ROUUACIJSA-N 0 3 298.386 2.351 40 0 CEABHN CC(C)n1nccc1CN1CC[C@@H](c2cc[nH]n2)C1 ZINC000257309925 190032230 /nfs/dbraw/zinc/03/22/30/190032230.db2.gz UCXWGLNYYFUCHC-GFCCVEGCSA-N 0 3 259.357 2.177 40 0 CEABHN CN(C)C(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000306136593 376541545 /nfs/dbraw/zinc/54/15/45/376541545.db2.gz PXSZZMGCICPJRP-WBVHZDCISA-N 0 3 287.407 2.016 40 0 CEABHN CCN1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216154 394593687 /nfs/dbraw/zinc/59/36/87/394593687.db2.gz AGEWXVOSXOUIDE-AWEZNQCLSA-N 0 3 261.369 2.075 40 0 CEABHN Clc1cccc(-c2nsc(N3CCNCC3)n2)c1 ZINC000206361359 395473908 /nfs/dbraw/zinc/47/39/08/395473908.db2.gz GBFBLTSETTZFTM-UHFFFAOYSA-N 0 3 280.784 2.268 40 0 CEABHN CN(C)CCCOc1ccc(C(=O)c2ccncc2N)cc1 ZINC000199712535 395470350 /nfs/dbraw/zinc/47/03/50/395470350.db2.gz OMXZLPDSNIGMDQ-UHFFFAOYSA-N 0 3 299.374 2.225 40 0 CEABHN Cc1nc(-c2ccccc2)ncc1[C@@H](O)CN(C)C ZINC000006520560 170208852 /nfs/dbraw/zinc/20/88/52/170208852.db2.gz QYTRDMIFXBEDOF-AWEZNQCLSA-N 0 3 257.337 2.047 40 0 CEABHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000009876605 170388402 /nfs/dbraw/zinc/38/84/02/170388402.db2.gz BERVLBQEFXJNPB-CYBMUJFWSA-N 0 3 261.369 2.458 40 0 CEABHN CN1CCC[C@@H](c2ccc(NCC3(C)COC3)cn2)C1 ZINC000072386983 176392898 /nfs/dbraw/zinc/39/28/98/176392898.db2.gz FOWGCEQSLDVALK-CYBMUJFWSA-N 0 3 275.396 2.339 40 0 CEABHN CCN1CCc2nc(NCc3ccccc3)ncc2C1 ZINC000072415044 176399757 /nfs/dbraw/zinc/39/97/57/176399757.db2.gz APBDSALWQYWDMD-UHFFFAOYSA-N 0 3 268.364 2.467 40 0 CEABHN CN1CCC(CC(=O)NCc2ccc(F)cc2)CC1 ZINC000074920915 176635436 /nfs/dbraw/zinc/63/54/36/176635436.db2.gz IEQWASNDZDQPGL-UHFFFAOYSA-N 0 3 264.344 2.174 40 0 CEABHN Clc1cccc(Cc2nsc(N3CCNCC3)n2)c1 ZINC000216641988 419462311 /nfs/dbraw/zinc/46/23/11/419462311.db2.gz WPLOPIHSKLDEEW-UHFFFAOYSA-N 0 3 294.811 2.192 40 0 CEABHN CC(C)(C)OC(=O)N(C[C@H]1CCCCN1CCO)C1CC1 ZINC000079408222 278377766 /nfs/dbraw/zinc/37/77/66/278377766.db2.gz OFZATQAUJWWBLP-CQSZACIVSA-N 0 3 298.427 2.233 40 0 CEABHN C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(C)C1 ZINC000082337168 280031120 /nfs/dbraw/zinc/03/11/20/280031120.db2.gz KQPIBFWLXXQLNF-GXTWGEPZSA-N 0 3 258.365 2.306 40 0 CEABHN N[C@@H](c1nc(COc2ccccc2)n[nH]1)c1ccccc1 ZINC000095533381 185006659 /nfs/dbraw/zinc/00/66/59/185006659.db2.gz YZFGXBBBNWFYLF-OAHLLOKOSA-N 0 3 280.331 2.432 40 0 CEABHN CCCn1cc(CN2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000121227062 365537214 /nfs/dbraw/zinc/53/72/14/365537214.db2.gz IATGUWSQRPVGLW-AWEZNQCLSA-N 0 3 273.384 2.396 40 0 CEABHN CN1CC[C@H]2OCCC[C@]2(COc2ncccc2F)C1 ZINC000096040484 185068839 /nfs/dbraw/zinc/06/88/39/185068839.db2.gz JDMVDVDTOQKFQM-UKRRQHHQSA-N 0 3 280.343 2.100 40 0 CEABHN O=C1CC[C@]2(CCCN(Cc3ccc(F)cc3)CC2)N1 ZINC000096047453 185072882 /nfs/dbraw/zinc/07/28/82/185072882.db2.gz UQIAJWMACFJVBU-INIZCTEOSA-N 0 3 276.355 2.460 40 0 CEABHN CC[C@@H]1N(Cc2ccccn2)CCC[C@]12CCC(=O)N2C ZINC000096052420 185073705 /nfs/dbraw/zinc/07/37/05/185073705.db2.gz VNWJYZFXJXAKKT-RDJZCZTQSA-N 0 3 287.407 2.447 40 0 CEABHN CC[C@@H]1N(Cc2ccccn2)CCC[C@]12CCC(=O)N2 ZINC000096052397 185074977 /nfs/dbraw/zinc/07/49/77/185074977.db2.gz MKXDQDVUKNQPCA-HOCLYGCPSA-N 0 3 273.380 2.105 40 0 CEABHN c1coc(CN2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053776 185075033 /nfs/dbraw/zinc/07/50/33/185075033.db2.gz JEGHGWHLFFTGSN-GASCZTMLSA-N 0 3 283.375 2.238 40 0 CEABHN CN(C)[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 ZINC000096056315 185077126 /nfs/dbraw/zinc/07/71/26/185077126.db2.gz BNCPLSDIGAZGGC-MCIONIFRSA-N 0 3 266.410 2.042 40 0 CEABHN Cc1nc(C)c2c(n1)CCN(Cc1ccncc1)CC2 ZINC000096083771 185092791 /nfs/dbraw/zinc/09/27/91/185092791.db2.gz SQXMAJCRPVOZBL-UHFFFAOYSA-N 0 3 268.364 2.089 40 0 CEABHN COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1ccncc1)C2 ZINC000096089851 185095234 /nfs/dbraw/zinc/09/52/34/185095234.db2.gz HVAHXPKUFJYZSK-DLBZAZTESA-N 0 3 290.407 2.489 40 0 CEABHN NCc1cn(-c2ccc(Cl)cc2C(F)(F)F)nn1 ZINC000050224082 362410675 /nfs/dbraw/zinc/41/06/75/362410675.db2.gz UCIQRVYFUNQSOD-UHFFFAOYSA-N 0 3 276.649 2.398 40 0 CEABHN O[C@]1(COc2ccccc2)COCCN(C2CCCC2)C1 ZINC000585269043 345009322 /nfs/dbraw/zinc/00/93/22/345009322.db2.gz IRCJPLBHPGGJNP-KRWDZBQOSA-N 0 3 291.391 2.071 40 0 CEABHN COc1ccc([C@@H](N)[C@H](O)c2ccc(OC)cc2)cc1 ZINC000001666002 361214548 /nfs/dbraw/zinc/21/45/48/361214548.db2.gz DUEBHXGFCXXGHK-HZPDHXFCSA-N 0 3 273.332 2.437 40 0 in-vitro CEABHN O[C@H]1CCCC[C@H]1CN1CCN(c2ccccc2)CC1 ZINC000002022381 361225889 /nfs/dbraw/zinc/22/58/89/361225889.db2.gz TZJZHIIVJQYNPM-RDJZCZTQSA-N 0 3 274.408 2.360 40 0 CEABHN CCCNC(=S)N1CCN(C2CCCCC2)CC1 ZINC000019074358 361519832 /nfs/dbraw/zinc/51/98/32/361519832.db2.gz NTXRUQASGXJLMT-UHFFFAOYSA-N 0 3 269.458 2.221 40 0 CEABHN COc1cc(OC)cc([C@@H](CN)N2CCC[C@@H](C)C2)c1 ZINC000019840901 361560793 /nfs/dbraw/zinc/56/07/93/361560793.db2.gz MICPJGHFZAGIHR-MLGOLLRUSA-N 0 3 278.396 2.436 40 0 CEABHN CCc1noc(C)c1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 ZINC000019521280 361541892 /nfs/dbraw/zinc/54/18/92/361541892.db2.gz NHUFTFRNDTUMSC-VXGBXAGGSA-N 0 3 293.411 2.253 40 0 CEABHN CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCN(C)C ZINC000030853847 361703979 /nfs/dbraw/zinc/70/39/79/361703979.db2.gz PAHICRKNRRKTSX-CQSZACIVSA-N 0 3 278.396 2.139 40 0 CEABHN CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccccc2CN)C1 ZINC000089223653 363949824 /nfs/dbraw/zinc/94/98/24/363949824.db2.gz BWNGNOCDGYOGEC-CYBMUJFWSA-N 0 3 291.395 2.249 40 0 CEABHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nn1 ZINC000096184859 364407462 /nfs/dbraw/zinc/40/74/62/364407462.db2.gz LLINXBNORFCRTL-CVEARBPZSA-N 0 3 295.390 2.033 40 0 CEABHN c1ccc(CN2C[C@@H]3CN(c4ccccn4)C[C@@H]3C2)nc1 ZINC000096161574 364404649 /nfs/dbraw/zinc/40/46/49/364404649.db2.gz OTGJKNCQBBCPLL-GASCZTMLSA-N 0 3 280.375 2.045 40 0 CEABHN O[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000096200277 364409271 /nfs/dbraw/zinc/40/92/71/364409271.db2.gz XIJBPPCNNHFGAZ-LSDHHAIUSA-N 0 3 274.389 2.321 40 0 CEABHN Cc1cccnc1N1CC2(C1)CCN(Cc1cccnc1)C2 ZINC000096202502 364410767 /nfs/dbraw/zinc/41/07/67/364410767.db2.gz HQUZGYAFRRDBKL-UHFFFAOYSA-N 0 3 294.402 2.497 40 0 CEABHN CC(C)N1C[C@H]2CC[C@@H](C1)N2Cc1nccs1 ZINC000096252555 364417186 /nfs/dbraw/zinc/41/71/86/364417186.db2.gz SGSQIXQODCDKRH-TXEJJXNPSA-N 0 3 251.399 2.200 40 0 CEABHN Cc1cc(-c2cnc(CC3CCN(C)CC3)cn2)n[nH]1 ZINC000257239514 190017759 /nfs/dbraw/zinc/01/77/59/190017759.db2.gz HPRNJJAPMSAYJR-UHFFFAOYSA-N 0 3 271.368 2.059 40 0 CEABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2[nH]cnc2C)C1 ZINC000257282236 190026241 /nfs/dbraw/zinc/02/62/41/190026241.db2.gz OSZCTUCPMDXIKM-GFCCVEGCSA-N 0 3 259.357 2.129 40 0 CEABHN Cc1cc(-c2cnc(C[C@@H]3CCCN(C)C3)cn2)n[nH]1 ZINC000257329384 190035155 /nfs/dbraw/zinc/03/51/55/190035155.db2.gz XJTOTBKNTIVXLA-LBPRGKRZSA-N 0 3 271.368 2.059 40 0 CEABHN Cc1ccnc([C@H]2CCN(Cc3ncccc3C)C2)n1 ZINC000257332126 190035288 /nfs/dbraw/zinc/03/52/88/190035288.db2.gz XVWFXHFDFMEDPA-AWEZNQCLSA-N 0 3 268.364 2.478 40 0 CEABHN O=C(c1cccc2ccccc21)N1CCCNCC1 ZINC000019265659 284708527 /nfs/dbraw/zinc/70/85/27/284708527.db2.gz NIPZOEIYGROZLA-UHFFFAOYSA-N 0 3 254.333 2.275 40 0 CEABHN CC(C)CCN1C[C@@H]2[C@H](C1)Oc1ccccc1C(=O)N2C ZINC000514290191 379129260 /nfs/dbraw/zinc/12/92/60/379129260.db2.gz UYUSWMQGKOQYDI-ZBFHGGJFSA-N 0 3 288.391 2.250 40 0 biogenic,in-vitro CEABHN CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)C3=CCCC3)C2)O1 ZINC000096209190 256824358 /nfs/dbraw/zinc/82/43/58/256824358.db2.gz LHNVYJPNOHGCFA-NVXWUHKLSA-N 0 3 292.423 2.199 40 0 CEABHN CC(C)(C)OC(=O)N1CCCc2ccc(CN)nc21 ZINC000002527465 394453146 /nfs/dbraw/zinc/45/31/46/394453146.db2.gz MNWCZZLNXDJWKU-UHFFFAOYSA-N 0 3 263.341 2.228 40 0 CEABHN Cc1cc2c([nH]c(=O)n(-c3ccccc3)c2=O)s1 ZINC000006412969 170199475 /nfs/dbraw/zinc/19/94/75/170199475.db2.gz HDFWYNWXPSHPLH-UHFFFAOYSA-N 0 3 258.302 2.049 40 0 CEABHN CCOc1cc(C=O)ccc1OCCCN(C)C ZINC000008731590 170351282 /nfs/dbraw/zinc/35/12/82/170351282.db2.gz XJMRZDFHRKZUOT-UHFFFAOYSA-N 0 3 251.326 2.228 40 0 CEABHN CC(C)(C)OC(=O)Nc1c(CN)ccc2c1OCCO2 ZINC000228917789 414846202 /nfs/dbraw/zinc/84/62/02/414846202.db2.gz KOZXKQAXCPVIQK-UHFFFAOYSA-N 0 3 280.324 2.264 40 0 CEABHN CCOC(=O)C[C@](C)(NC)c1ccc(OC)cc1 ZINC000072210260 176342890 /nfs/dbraw/zinc/34/28/90/176342890.db2.gz FIXDDEWZLIVAEM-AWEZNQCLSA-N 0 3 251.326 2.083 40 0 CEABHN Cn1cc(CN2CCC[C@@H](Cc3cccnc3)C2)cn1 ZINC000072385812 176390514 /nfs/dbraw/zinc/39/05/14/176390514.db2.gz RHBGBSUMXXQDDZ-HNNXBMFYSA-N 0 3 270.380 2.270 40 0 CEABHN CCN(CC)CCN[C@@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000022586298 279107499 /nfs/dbraw/zinc/10/74/99/279107499.db2.gz CXSVMOSHBAQULZ-KKUMJFAQSA-N 0 3 283.460 2.096 40 0 CEABHN CCOc1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000013775596 528553652 /nfs/dbraw/zinc/55/36/52/528553652.db2.gz PGQJDDFPSFJUNJ-UHFFFAOYSA-N 0 3 293.436 2.466 40 0 CEABHN CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096046710 185071172 /nfs/dbraw/zinc/07/11/72/185071172.db2.gz VQUCTJSCSOSKHB-UHFFFAOYSA-N 0 3 264.394 2.192 40 0 CEABHN CN1CCC[C@@]2(C1)CN(Cc1cccs1)CCO2 ZINC000096049059 185072752 /nfs/dbraw/zinc/07/27/52/185072752.db2.gz KPDQBGYWMBSKGJ-CQSZACIVSA-N 0 3 266.410 2.045 40 0 CEABHN COc1ccc2ccccc2c1[C@H](CN)N1CCOCC1 ZINC000033442885 361780141 /nfs/dbraw/zinc/78/01/41/361780141.db2.gz ZKTNTRRXTPDEHJ-HNNXBMFYSA-N 0 3 286.375 2.180 40 0 CEABHN COc1cccc(CN2CCC[C@]3(C[C@@H](OC)CO3)C2)c1 ZINC000096107193 185100086 /nfs/dbraw/zinc/10/00/86/185100086.db2.gz QXRDKWZSBDPMSJ-SJORKVTESA-N 0 3 291.391 2.465 40 0 CEABHN CCN(CCO)Cc1ccc(Br)cc1 ZINC000042222167 362071517 /nfs/dbraw/zinc/07/15/17/362071517.db2.gz CVUXUVPJKXIVII-UHFFFAOYSA-N 0 3 258.159 2.263 40 0 CEABHN CC(C)(C)OC(=O)CCNCc1ccc2c(c1)OCO2 ZINC000047218969 362201782 /nfs/dbraw/zinc/20/17/82/362201782.db2.gz YPPOVGRGRVWAES-UHFFFAOYSA-N 0 3 279.336 2.237 40 0 CEABHN CCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000047676085 362221237 /nfs/dbraw/zinc/22/12/37/362221237.db2.gz QSIFIMXXYYDVDY-UHFFFAOYSA-N 0 3 275.396 2.144 40 0 CEABHN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(C)C[C@@H]32)no1 ZINC000585109835 345005607 /nfs/dbraw/zinc/00/56/07/345005607.db2.gz ZINAPSNKBRGMDN-OFQRWUPVSA-N 0 3 297.358 2.113 40 0 CEABHN CC1CCN(C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000000249888 361152007 /nfs/dbraw/zinc/15/20/07/361152007.db2.gz IBDZWWPLDGLSNK-CQSZACIVSA-N 0 3 267.344 2.297 40 0 CEABHN CC(C)(C)OC(=O)NCCNCCNc1ccccc1 ZINC000001651316 361213366 /nfs/dbraw/zinc/21/33/66/361213366.db2.gz MEMDJFQKOBLTMX-UHFFFAOYSA-N 0 3 279.384 2.213 40 0 CEABHN COc1ccc2c(c1)CCN([C@@H]1CCC[C@H](O)C1)C2 ZINC000001672616 361216429 /nfs/dbraw/zinc/21/64/29/361216429.db2.gz FWTBJEAJFRCRAA-CABCVRRESA-N 0 3 261.365 2.357 40 0 CEABHN OC[C@H]1CCCN(Cc2c[nH]nc2-c2cccs2)C1 ZINC000019343912 361528318 /nfs/dbraw/zinc/52/83/18/361528318.db2.gz WKDVEJYTSKGIDE-NSHDSACASA-N 0 3 277.393 2.343 40 0 CEABHN Clc1cnc(N2CCNCC2)c2ccsc21 ZINC000019721596 361548417 /nfs/dbraw/zinc/54/84/17/361548417.db2.gz DTOFQOXMULGSBG-UHFFFAOYSA-N 0 3 253.758 2.359 40 0 CEABHN O=C(C1CC1)N1C[C@H]2CC[C@@H](CC1=O)N2Cc1ccccc1 ZINC000019371556 361530121 /nfs/dbraw/zinc/53/01/21/361530121.db2.gz ROIRYEOBPOJFJK-JKSUJKDBSA-N 0 3 298.386 2.189 40 0 CEABHN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCN(C)C ZINC000030853849 361703696 /nfs/dbraw/zinc/70/36/96/361703696.db2.gz PAHICRKNRRKTSX-AWEZNQCLSA-N 0 3 278.396 2.139 40 0 CEABHN CN(C)C[C@H](CN1CCCC1)C(=O)c1ccccc1 ZINC000031959522 361724176 /nfs/dbraw/zinc/72/41/76/361724176.db2.gz PESNANQSYBTIMQ-OAHLLOKOSA-N 0 3 260.381 2.143 40 0 CEABHN CC(=O)N1CCC[C@@]2(CCN(Cc3ccoc3)C2)C1 ZINC000096268729 364419750 /nfs/dbraw/zinc/41/97/50/364419750.db2.gz MMIILQJHOYMBLC-HNNXBMFYSA-N 0 3 262.353 2.114 40 0 CEABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccco3)C2)C1 ZINC000585103114 367178890 /nfs/dbraw/zinc/17/88/90/367178890.db2.gz QNPDRIOKRMWICX-AWEZNQCLSA-N 0 3 278.396 2.212 40 0 CEABHN C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCN(C)C ZINC000225564022 370303581 /nfs/dbraw/zinc/30/35/81/370303581.db2.gz BNYFBFVEJUXPIV-ZDUSSCGKSA-N 0 3 290.407 2.011 40 0 CEABHN CN1Cc2cccn2[C@H](CCOc2ccccn2)C1 ZINC000248159648 371165849 /nfs/dbraw/zinc/16/58/49/371165849.db2.gz WYVVNRAAHVKLNQ-CQSZACIVSA-N 0 3 257.337 2.339 40 0 CEABHN O[C@@H]1CCCC[C@H]1N1CCC(O)(c2ccccc2F)CC1 ZINC000257213685 190013028 /nfs/dbraw/zinc/01/30/28/190013028.db2.gz CIQPYJJYXVEWKF-HZPDHXFCSA-N 0 3 293.382 2.413 40 0 CEABHN Cc1cc2nccc(C3CCN(Cc4cnc[nH]4)CC3)n2n1 ZINC000257223196 190014884 /nfs/dbraw/zinc/01/48/84/190014884.db2.gz DWICTOFISSIZEI-UHFFFAOYSA-N 0 3 296.378 2.140 40 0 CEABHN CC(C)N1CCC[C@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257257196 190021423 /nfs/dbraw/zinc/02/14/23/190021423.db2.gz KOMICXPVSREAOB-LBPRGKRZSA-N 0 3 290.367 2.021 40 0 CEABHN O[C@H]1CN(Cc2ccnc3ccccc23)CC[C@@]12CCCO2 ZINC000257309653 190031407 /nfs/dbraw/zinc/03/14/07/190031407.db2.gz UBVAGRVEHTZBGI-ROUUACIJSA-N 0 3 298.386 2.351 40 0 CEABHN CCN1CCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219331 394593442 /nfs/dbraw/zinc/59/34/42/394593442.db2.gz IRALUGSUEXLGFR-OAHLLOKOSA-N 0 3 275.396 2.383 40 0 CEABHN Cc1cc(N2CCN(C)CC2)ncc1[C@H](N)c1ccccc1 ZINC000072223611 394594229 /nfs/dbraw/zinc/59/42/29/394594229.db2.gz DTVAIGHJYZXREG-GOSISDBHSA-N 0 3 296.418 2.190 40 0 CEABHN Cc1nc(N2CCNCC2)ccc1C(=O)c1ccccc1 ZINC000072224619 394594524 /nfs/dbraw/zinc/59/45/24/394594524.db2.gz CVXWOPXAWGMCLL-UHFFFAOYSA-N 0 3 281.359 2.031 40 0 CEABHN Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1C ZINC000072219415 394594537 /nfs/dbraw/zinc/59/45/37/394594537.db2.gz DFYMOXQTQOPXJI-OAHLLOKOSA-N 0 3 275.396 2.383 40 0 CEABHN CC(C)N1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257240438 394595604 /nfs/dbraw/zinc/59/56/04/394595604.db2.gz HTMURXPWLKNAQA-LBPRGKRZSA-N 0 3 271.368 2.455 40 0 CEABHN COc1cccc([C@H](CN)N2CCCCC2)c1OC ZINC000038827637 174157236 /nfs/dbraw/zinc/15/72/36/174157236.db2.gz ITECMPTUMRUARS-ZDUSSCGKSA-N 0 3 264.369 2.190 40 0 CEABHN CC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2 ZINC000096052392 287312903 /nfs/dbraw/zinc/31/29/03/287312903.db2.gz OPGVFVNCYNEIQL-ZFWWWQNUSA-N 0 3 262.353 2.303 40 0 CEABHN COCCN1CCC(c2cc(C(F)(F)F)n[nH]2)CC1 ZINC000072356581 176375841 /nfs/dbraw/zinc/37/58/41/176375841.db2.gz GNOFJBJKNTVHPB-UHFFFAOYSA-N 0 3 277.290 2.254 40 0 CEABHN CNc1ncccc1CN1CCC[C@@H]1c1[nH]ncc1C ZINC000072364461 277305909 /nfs/dbraw/zinc/30/59/09/277305909.db2.gz MIHMXLHDFFVHLT-CYBMUJFWSA-N 0 3 271.368 2.492 40 0 CEABHN O=C1CCC[C@@]2(CCCN(Cc3cccs3)C2)N1 ZINC000096049932 185073742 /nfs/dbraw/zinc/07/37/42/185073742.db2.gz RKQNOLQBNYLTTP-AWEZNQCLSA-N 0 3 264.394 2.383 40 0 CEABHN c1ccc(N2CC[C@@]3(C2)COCCN(CC2CC2)C3)nc1 ZINC000096062489 185083296 /nfs/dbraw/zinc/08/32/96/185083296.db2.gz QKXNXKFYCODMCP-QGZVFWFLSA-N 0 3 287.407 2.020 40 0 CEABHN Cn1nc(COc2cccnc2)c2c1CCN(CC1CC1)C2 ZINC000096084910 185091829 /nfs/dbraw/zinc/09/18/29/185091829.db2.gz ZQUSWTSVDGQXQU-UHFFFAOYSA-N 0 3 298.390 2.162 40 0 CEABHN O=C(OCc1ccccc1)N1CC(F)(F)[C@@]12CCCNC2 ZINC000117618668 344289933 /nfs/dbraw/zinc/28/99/33/344289933.db2.gz PYAOGDWGERYWOJ-AWEZNQCLSA-N 0 3 296.317 2.396 40 0 CEABHN Cc1nc(N[C@@H](C)CO)cc(N2CCc3ccccc3C2)n1 ZINC000328960472 344758397 /nfs/dbraw/zinc/75/83/97/344758397.db2.gz AYFXUGFJUPCMHS-LBPRGKRZSA-N 0 3 298.390 2.140 40 0 CEABHN CC(C)N1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000585104996 345005908 /nfs/dbraw/zinc/00/59/08/345005908.db2.gz NFUFZHCZGBCRJC-CQSZACIVSA-N 0 3 285.453 2.398 40 0 CEABHN OC[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000090726869 180032577 /nfs/dbraw/zinc/03/25/77/180032577.db2.gz JFGJABRNVYTSPQ-LBPRGKRZSA-N 0 3 259.271 2.433 40 0 CEABHN Cc1c(F)cccc1CN1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108526165 186220603 /nfs/dbraw/zinc/22/06/03/186220603.db2.gz ANKZCIBCLOIDFW-HOTGVXAUSA-N 0 3 278.371 2.039 40 0 CEABHN CN(C)CCOc1ccc(NC(=O)C(F)(F)F)cc1 ZINC000112826143 186534557 /nfs/dbraw/zinc/53/45/57/186534557.db2.gz RAGOBRJNBOEXCE-UHFFFAOYSA-N 0 3 276.258 2.128 40 0 CEABHN CC(C)N(C(=O)[C@H](C)N)[C@H](C)c1ccc(F)cc1 ZINC000079421295 363598133 /nfs/dbraw/zinc/59/81/33/363598133.db2.gz IZPYLXIIXPOBOB-WDEREUQCSA-N 0 3 252.333 2.471 40 0 CEABHN CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000079416162 363598691 /nfs/dbraw/zinc/59/86/91/363598691.db2.gz OFKWMWSGNPCZEP-INIZCTEOSA-N 0 3 290.407 2.304 40 0 CEABHN CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000079416162 363598694 /nfs/dbraw/zinc/59/86/94/363598694.db2.gz OFKWMWSGNPCZEP-INIZCTEOSA-N 0 3 290.407 2.304 40 0 CEABHN CC(C)N(Cc1ccccc1)C[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079416162 363598697 /nfs/dbraw/zinc/59/86/97/363598697.db2.gz OFKWMWSGNPCZEP-INIZCTEOSA-N 0 3 290.407 2.304 40 0 CEABHN CC(C)N(Cc1ccccc1)C[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079416162 363598701 /nfs/dbraw/zinc/59/87/01/363598701.db2.gz OFKWMWSGNPCZEP-INIZCTEOSA-N 0 3 290.407 2.304 40 0 CEABHN Cc1ccc(CN2C[C@@H](N(C)C)[C@H]3OCCC[C@H]32)s1 ZINC000096185752 364406707 /nfs/dbraw/zinc/40/67/07/364406707.db2.gz TXQRXFHGXUHKOX-KFWWJZLASA-N 0 3 280.437 2.350 40 0 CEABHN CCO[C@H]1CN(Cc2ccc(OC)cc2)[C@@H]2CCCO[C@@H]21 ZINC000096057436 364399433 /nfs/dbraw/zinc/39/94/33/364399433.db2.gz DNTCGJJVJNCIIL-IKGGRYGDSA-N 0 3 291.391 2.464 40 0 CEABHN CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(C)CC2 ZINC000096261146 364418353 /nfs/dbraw/zinc/41/83/53/364418353.db2.gz KRJMBPBPINHUKA-OAHLLOKOSA-N 0 3 272.392 2.487 40 0 CEABHN CC[C@@H](Oc1ccc(C)cc1)C(=O)NC1CCN(C)CC1 ZINC000113960032 364920420 /nfs/dbraw/zinc/92/04/20/364920420.db2.gz DXJDHXIDCNONSG-MRXNPFEDSA-N 0 3 290.407 2.363 40 0 CEABHN CC[C@@H](Oc1ccccc1)C(=O)NC1CCN(C)CC1 ZINC000113969107 364921017 /nfs/dbraw/zinc/92/10/17/364921017.db2.gz DJNLXIWPTUTYBB-OAHLLOKOSA-N 0 3 276.380 2.054 40 0 CEABHN Cc1ncc(CN2CCC[C@@]3(CN(C(C)C)C3=O)C2)s1 ZINC000585099343 367177453 /nfs/dbraw/zinc/17/74/53/367177453.db2.gz GMCPPCJXYPUDSE-HNNXBMFYSA-N 0 3 293.436 2.284 40 0 CEABHN CN(C)CCNC(=O)c1ccc2nc(Cl)sc2c1 ZINC000225975087 370327320 /nfs/dbraw/zinc/32/73/20/370327320.db2.gz LKOWXLQSDUJNBA-UHFFFAOYSA-N 0 3 283.784 2.241 40 0 CEABHN COC[C@H]1CCN(C)C2(CN(Cc3ccccc3F)C2)C1 ZINC000248155558 371164726 /nfs/dbraw/zinc/16/47/26/371164726.db2.gz VPHZRGLTQKMQEK-AWEZNQCLSA-N 0 3 292.398 2.368 40 0 CEABHN CNc1ncccc1CN1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257216165 190013731 /nfs/dbraw/zinc/01/37/31/190013731.db2.gz CTKRMWAWFLTGDQ-ZDUSSCGKSA-N 0 3 285.395 2.301 40 0 CEABHN CN(C)Cc1ccnc([C@@H]2CCCN2CC2CC2)n1 ZINC000257228675 190016300 /nfs/dbraw/zinc/01/63/00/190016300.db2.gz FUVAHSUXRXKFDR-AWEZNQCLSA-N 0 3 260.385 2.085 40 0 CEABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2ncccc2C)C1 ZINC000257224482 190015253 /nfs/dbraw/zinc/01/52/53/190015253.db2.gz FBZNHWVFLUHMOC-CYBMUJFWSA-N 0 3 256.353 2.411 40 0 CEABHN Cc1c[nH]c([C@@H]2CCCN(Cc3cccn3C)C2)n1 ZINC000257257591 190021548 /nfs/dbraw/zinc/02/15/48/190021548.db2.gz KQHRQTRASQKBDO-CYBMUJFWSA-N 0 3 258.369 2.436 40 0 CEABHN COc1ccc([C@H]2CNCCN2Cc2cccnc2)cc1 ZINC000257311095 190032200 /nfs/dbraw/zinc/03/22/00/190032200.db2.gz UHXRRWOUOGKQGS-QGZVFWFLSA-N 0 3 283.375 2.237 40 0 CEABHN COc1ccc(C[C@H]2CN(C3CCOCC3)CCO2)cc1 ZINC000257311309 190032324 /nfs/dbraw/zinc/03/23/24/190032324.db2.gz UIVXUIDZOJVULO-KRWDZBQOSA-N 0 3 291.391 2.118 40 0 CEABHN CCCCOCCCNCc1cnc(SC)nc1 ZINC000062717249 394571122 /nfs/dbraw/zinc/57/11/22/394571122.db2.gz KZNZODKXSCOKAA-UHFFFAOYSA-N 0 3 269.414 2.495 40 0 CEABHN CCCC[C@H](NC)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005466491 170102184 /nfs/dbraw/zinc/10/21/84/170102184.db2.gz SDTVAMLVYJOLFX-LBPRGKRZSA-N 0 3 278.352 2.175 40 0 CEABHN O[C@H](COc1ccccc1F)CN1CCCCC1 ZINC000006528787 170210925 /nfs/dbraw/zinc/21/09/25/170210925.db2.gz WCYCSMDMPRSGRG-LBPRGKRZSA-N 0 3 253.317 2.051 40 0 CEABHN C[C@@H](NCCN(C)C)C(=O)Nc1cccc2ccccc21 ZINC000022584096 171392400 /nfs/dbraw/zinc/39/24/00/171392400.db2.gz UAHYIZDOYKYDDC-CYBMUJFWSA-N 0 3 285.391 2.318 40 0 CEABHN C[C@H](NCCN(C)C)C(=O)Nc1cccc2ccccc21 ZINC000022584092 171392424 /nfs/dbraw/zinc/39/24/24/171392424.db2.gz UAHYIZDOYKYDDC-ZDUSSCGKSA-N 0 3 285.391 2.318 40 0 CEABHN O=C(Nc1ccccc1F)c1cncc([C@H]2CCCN2)n1 ZINC000072365602 176380627 /nfs/dbraw/zinc/38/06/27/176380627.db2.gz OHZKACDZILTWJT-GFCCVEGCSA-N 0 3 286.310 2.293 40 0 CEABHN CC(=O)N1CCN(C(C)C)C[C@@H](COc2ccccc2)C1 ZINC000072374466 176385140 /nfs/dbraw/zinc/38/51/40/176385140.db2.gz YVTYUKQOZHZGJD-MRXNPFEDSA-N 0 3 290.407 2.254 40 0 CEABHN CC(C)N(C(=O)OC(C)(C)C)C1CCN(CCO)CC1 ZINC000079408109 279299737 /nfs/dbraw/zinc/29/97/37/279299737.db2.gz NVJUSGKRTMAKNY-UHFFFAOYSA-N 0 3 286.416 2.089 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096056712 185078091 /nfs/dbraw/zinc/07/80/91/185078091.db2.gz MSHWUFSCDKMXQC-LSDHHAIUSA-N 0 3 265.353 2.297 40 0 CEABHN Cn1ncc2c1[C@H](COCC1CC1)CN(CC1CC1)C2 ZINC000096060123 185081348 /nfs/dbraw/zinc/08/13/48/185081348.db2.gz NIRIUKAYSLEWPH-HNNXBMFYSA-N 0 3 275.396 2.156 40 0 CEABHN CCCS(=O)(=O)c1ccc(CN)c2ccccc21 ZINC000085390889 179048042 /nfs/dbraw/zinc/04/80/42/179048042.db2.gz SVJKYDYBPMOWKU-UHFFFAOYSA-N 0 3 263.362 2.482 40 0 CEABHN c1coc(CN2CC[C@@H]3[C@H](CC2)OCCN3CC2CC2)c1 ZINC000107254926 186164365 /nfs/dbraw/zinc/16/43/65/186164365.db2.gz OXKNUNVMFCNJIV-SJORKVTESA-N 0 3 290.407 2.355 40 0 CEABHN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1C ZINC000072865972 363172268 /nfs/dbraw/zinc/17/22/68/363172268.db2.gz XDJNSHRCAFNUPI-GFCCVEGCSA-N 0 3 290.363 2.062 40 0 CEABHN CCN(Cc1ccccc1OC)C(=O)[C@@H](N)C(C)C ZINC000079421007 363599002 /nfs/dbraw/zinc/59/90/02/363599002.db2.gz QIXJLCVCHFSXJO-AWEZNQCLSA-N 0 3 264.369 2.027 40 0 CEABHN NCC(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000079420884 363599294 /nfs/dbraw/zinc/59/92/94/363599294.db2.gz HOBJXFNSIKXZJB-UHFFFAOYSA-N 0 3 272.270 2.155 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1nccc2ccccc21 ZINC000079422213 363599524 /nfs/dbraw/zinc/59/95/24/363599524.db2.gz HITSWGOAQZPFBK-HNNXBMFYSA-N 0 3 271.364 2.177 40 0 CEABHN CCn1ccc(CNCCc2ccc(OC)c(OC)c2)n1 ZINC000002536466 361239876 /nfs/dbraw/zinc/23/98/76/361239876.db2.gz GRMRZYFEHNUOMZ-UHFFFAOYSA-N 0 3 289.379 2.253 40 0 CEABHN O=C(CSC1=NCCN1)c1ccc(Br)cc1 ZINC000003160654 361265952 /nfs/dbraw/zinc/26/59/52/361265952.db2.gz YZZWNWNOEIYYGT-UHFFFAOYSA-N 0 3 299.193 2.324 40 0 CEABHN COc1cccc(C(=O)c2ccc(N3CCNCC3)cc2)c1 ZINC000004245558 361307607 /nfs/dbraw/zinc/30/76/07/361307607.db2.gz GINCVFLLHINUIJ-UHFFFAOYSA-N 0 3 296.370 2.336 40 0 CEABHN O=C1c2ccccc2C(=O)N1[C@@H]1CCCN2CCCC[C@@H]12 ZINC000005648216 361333900 /nfs/dbraw/zinc/33/39/00/361333900.db2.gz KNEGFGGZBIDYHX-LSDHHAIUSA-N 0 3 284.359 2.300 40 0 CEABHN Cc1cccc(CNC2CCC3(CCC(=O)N3)CC2)n1 ZINC000096228517 364413944 /nfs/dbraw/zinc/41/39/44/364413944.db2.gz LOORCGQMSTZWHV-UHFFFAOYSA-N 0 3 273.380 2.071 40 0 CEABHN Fc1ccc(OCCN2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000257215228 190013002 /nfs/dbraw/zinc/01/30/02/190013002.db2.gz CPFBIBJORCNXFG-GFCCVEGCSA-N 0 3 275.327 2.417 40 0 CEABHN CCn1cc(-c2cnc(C[C@H]3CCCN(C)C3)cn2)cn1 ZINC000257247668 190019084 /nfs/dbraw/zinc/01/90/84/190019084.db2.gz IZZUGRJQXOCHFJ-CYBMUJFWSA-N 0 3 285.395 2.244 40 0 CEABHN CCn1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257251165 190019963 /nfs/dbraw/zinc/01/99/63/190019963.db2.gz JPRYTVGHTSREFD-CQSZACIVSA-N 0 3 273.384 2.314 40 0 CEABHN CNc1nccnc1C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000257274538 190025129 /nfs/dbraw/zinc/02/51/29/190025129.db2.gz NLMJIQNKBMDFAG-OAHLLOKOSA-N 0 3 297.406 2.368 40 0 CEABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2)n1 ZINC000257294380 190028677 /nfs/dbraw/zinc/02/86/77/190028677.db2.gz QTVSAGLRTCJAOI-NSHDSACASA-N 0 3 270.340 2.133 40 0 CEABHN CC(C)CN1c2ccc(F)cc2[C@@H]2CN(CCO)CC[C@@H]21 ZINC000096251727 256834741 /nfs/dbraw/zinc/83/47/41/256834741.db2.gz UOOAFRRCHJKSJF-RDJZCZTQSA-N 0 3 292.398 2.452 40 0 CEABHN CCN(CC)[C@H](CN)c1c(OC)cc(OC)cc1OC ZINC000036961675 394496058 /nfs/dbraw/zinc/49/60/58/394496058.db2.gz LQVFRKXKTKPBPZ-GFCCVEGCSA-N 0 3 282.384 2.054 40 0 CEABHN NC[C@@H](c1cncc(Br)c1)N1CCCCC1 ZINC000096511149 394694077 /nfs/dbraw/zinc/69/40/77/394694077.db2.gz BHZIBFYFRQTFDJ-LBPRGKRZSA-N 0 3 284.201 2.330 40 0 CEABHN CN1CCC[C@@H](C(=O)N2CCCc3ccccc32)C1 ZINC000078578581 400244509 /nfs/dbraw/zinc/24/45/09/400244509.db2.gz UWAWCIPZQWWYAG-CQSZACIVSA-N 0 3 258.365 2.308 40 0 CEABHN CCCC[N@H+](CCOc1ccnc(=O)[n-]1)CC(C)C ZINC000005423950 170097526 /nfs/dbraw/zinc/09/75/26/170097526.db2.gz JAJDYYSPRUNZBY-UHFFFAOYSA-N 0 3 267.373 2.319 40 0 CEABHN CCCC[N@@H+](CCOc1ccnc(=O)[n-]1)CC(C)C ZINC000005423950 170097528 /nfs/dbraw/zinc/09/75/28/170097528.db2.gz JAJDYYSPRUNZBY-UHFFFAOYSA-N 0 3 267.373 2.319 40 0 CEABHN COc1cccc([C@H](CN)N2CCC[C@@H](C)C2)c1OC ZINC000022165039 171365399 /nfs/dbraw/zinc/36/53/99/171365399.db2.gz IBVVTNVBRHXFIS-OCCSQVGLSA-N 0 3 278.396 2.436 40 0 CEABHN CCN(Cc1ccc(SC)cc1)C(=O)[C@H](C)N ZINC000079420544 177487535 /nfs/dbraw/zinc/48/75/35/177487535.db2.gz GOEOUHXNGJTETI-JTQLQIEISA-N 0 3 252.383 2.104 40 0 CEABHN Brc1ccc2c(c1)snc2N1CCNCC1 ZINC000309360626 273475037 /nfs/dbraw/zinc/47/50/37/273475037.db2.gz KYUAWDDFPQTJGE-UHFFFAOYSA-N 0 3 298.209 2.468 40 0 CEABHN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CNC[C@@H]21 ZINC000306143099 275032693 /nfs/dbraw/zinc/03/26/93/275032693.db2.gz XTHKFOQQZHVBNJ-OCCSQVGLSA-N 0 3 291.397 2.258 40 0 CEABHN COc1cc2c(cc1OC)[C@@H]1CCN3CCC[C@@H]3N1CC2 ZINC000019326989 277394679 /nfs/dbraw/zinc/39/46/79/277394679.db2.gz JBLQTGBNLYFHRP-YOEHRIQHSA-N 0 3 288.391 2.429 40 0 CEABHN Cc1noc(C)c1CN1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC000096043549 185069913 /nfs/dbraw/zinc/06/99/13/185069913.db2.gz AQVBUYGXXJKITB-DUFXMDAXSA-N 0 3 250.342 2.291 40 0 CEABHN CCN1CCOC[C@]2(CCCN(Cc3cccnc3)C2)C1 ZINC000096049599 185072896 /nfs/dbraw/zinc/07/28/96/185072896.db2.gz WSZUPJUTBFKXLZ-QGZVFWFLSA-N 0 3 289.423 2.016 40 0 CEABHN Fc1cccc(O[C@H]2C[C@@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055156 185076427 /nfs/dbraw/zinc/07/64/27/185076427.db2.gz NJDAHRFTRCEKOQ-WBVHZDCISA-N 0 3 290.382 2.373 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096056719 185077370 /nfs/dbraw/zinc/07/73/70/185077370.db2.gz YLSCRXPAZCUAOA-CVEARBPZSA-N 0 3 276.380 2.099 40 0 CEABHN Cn1ncc2c1[C@@H](COCC1CC1)CN(CC1CC1)C2 ZINC000096060122 185080436 /nfs/dbraw/zinc/08/04/36/185080436.db2.gz NIRIUKAYSLEWPH-OAHLLOKOSA-N 0 3 275.396 2.156 40 0 CEABHN Cc1cccc(CN2CC[C@@]3(CCN3c3ncccn3)C2)n1 ZINC000096076134 185089021 /nfs/dbraw/zinc/08/90/21/185089021.db2.gz VSMXCCSJYCVVIY-QGZVFWFLSA-N 0 3 295.390 2.035 40 0 CEABHN CCN1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1 ZINC000096076493 185089657 /nfs/dbraw/zinc/08/96/57/185089657.db2.gz CGUCYLYYQCJWEC-OAHLLOKOSA-N 0 3 295.452 2.077 40 0 CEABHN OC[C@H]1CCCN1Cc1ccc2cc(F)ccc2n1 ZINC000096836635 185115784 /nfs/dbraw/zinc/11/57/84/185115784.db2.gz DXORDVFADAXAKL-CQSZACIVSA-N 0 3 260.312 2.331 40 0 CEABHN CN(C)[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056317 282227740 /nfs/dbraw/zinc/22/77/40/282227740.db2.gz YQUIMXMURRLTCB-MCIONIFRSA-N 0 3 266.410 2.042 40 0 CEABHN COc1cccc(CN2CC[C@H](c3nnc(C)o3)C2)c1 ZINC000049169217 362342472 /nfs/dbraw/zinc/34/24/72/362342472.db2.gz AAZNFJYSYZUSEN-ZDUSSCGKSA-N 0 3 273.336 2.376 40 0 biogenic,in-vitro CEABHN O=C1[C@@H]2CN(Cc3ccoc3)C[C@@H]2CN1c1ccccc1 ZINC000107742847 186188881 /nfs/dbraw/zinc/18/88/81/186188881.db2.gz UYUUZRNEUPLYLI-GDBMZVCRSA-N 0 3 282.343 2.374 40 0 CEABHN CC(=O)O[C@H]1CCN(Cc2ccco2)[C@@H](C)[C@H]1C ZINC000000111486 361130278 /nfs/dbraw/zinc/13/02/78/361130278.db2.gz HAVUOHMCCLLASZ-SUNKGSAMSA-N 0 3 251.326 2.442 40 0 CEABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)CC(C)C)ccc12 ZINC000000056782 361122416 /nfs/dbraw/zinc/12/24/16/361122416.db2.gz GTAAIHRZANUVJS-CYBMUJFWSA-N 0 3 288.347 2.413 40 0 CEABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(C)CCN(C)C ZINC000012360889 361378784 /nfs/dbraw/zinc/37/87/84/361378784.db2.gz YKKNDGPTPGYUQR-UHFFFAOYSA-N 0 3 291.370 2.178 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000019257479 361522586 /nfs/dbraw/zinc/52/25/86/361522586.db2.gz FRPCNYBXDUFELS-ISTVAULSSA-N 0 3 270.323 2.074 40 0 CEABHN NC[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000019861940 361563291 /nfs/dbraw/zinc/56/32/91/361563291.db2.gz BXAAYLWVMFJKKN-GFCCVEGCSA-N 0 3 275.179 2.325 40 0 CEABHN CCN(CC)CCNCc1cccc(OC)c1OC ZINC000019919616 361567860 /nfs/dbraw/zinc/56/78/60/361567860.db2.gz FWBVSBIJUMLBGP-UHFFFAOYSA-N 0 3 266.385 2.135 40 0 CEABHN C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2ccncc2)CC1 ZINC000019405267 361530438 /nfs/dbraw/zinc/53/04/38/361530438.db2.gz PRYFOBKVCOFJMK-SQNIBIBYSA-N 0 3 283.419 2.411 40 0 CEABHN CC(=O)N1CCC2(CCN(Cc3ccoc3)C2)CC1 ZINC000096268709 364420603 /nfs/dbraw/zinc/42/06/03/364420603.db2.gz PPEBFYQTVTWXLS-UHFFFAOYSA-N 0 3 262.353 2.114 40 0 CEABHN CCC[C@@H](C)N1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099696 367178084 /nfs/dbraw/zinc/17/80/84/367178084.db2.gz YMCUZPKWOHVKKM-CJNGLKHVSA-N 0 3 288.395 2.094 40 0 CEABHN c1ncc(CN2CCNC[C@H]2c2ccccc2)s1 ZINC000165445136 367308556 /nfs/dbraw/zinc/30/85/56/367308556.db2.gz HVJXPXJOGDFQNT-AWEZNQCLSA-N 0 3 259.378 2.290 40 0 CEABHN c1ccc(OC[C@@H]2C[C@@H]3OCCN(CC4CC4)[C@H]3C2)nc1 ZINC000253591452 371530720 /nfs/dbraw/zinc/53/07/20/371530720.db2.gz NMVZUPDNUAFYQR-JYJNAYRXSA-N 0 3 288.391 2.350 40 0 CEABHN CNc1cc(C)nc([C@]2(C)CCCN2C2CCOCC2)n1 ZINC000257306328 371613508 /nfs/dbraw/zinc/61/35/08/371613508.db2.gz STVOUURMJSFTTJ-INIZCTEOSA-N 0 3 290.411 2.317 40 0 CEABHN CC(C)n1nc(C2CC2)cc1CNCCCCO ZINC000256051743 190003545 /nfs/dbraw/zinc/00/35/45/190003545.db2.gz KJZZJCVQNFXYQG-UHFFFAOYSA-N 0 3 251.374 2.204 40 0 CEABHN CN1CCC[C@H](c2cncc(-c3ccc(CO)cc3)n2)C1 ZINC000257198282 190010864 /nfs/dbraw/zinc/01/08/64/190010864.db2.gz YBMLRUCEBXYVSF-HNNXBMFYSA-N 0 3 283.375 2.445 40 0 CEABHN c1csc([N-]c2nccnc2[C@@H]2CCC[NH2+]C2)n1 ZINC000257224630 190015553 /nfs/dbraw/zinc/01/55/53/190015553.db2.gz FCQHLEXEHULTQX-SECBINFHSA-N 0 3 261.354 2.144 40 0 CEABHN CC(C)N1CCC[C@@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257257195 190021374 /nfs/dbraw/zinc/02/13/74/190021374.db2.gz KOMICXPVSREAOB-GFCCVEGCSA-N 0 3 290.367 2.021 40 0 CEABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2)n1 ZINC000257294379 190028470 /nfs/dbraw/zinc/02/84/70/190028470.db2.gz QTVSAGLRTCJAOI-LLVKDONJSA-N 0 3 270.340 2.133 40 0 CEABHN CCN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216598 394593057 /nfs/dbraw/zinc/59/30/57/394593057.db2.gz HNVBLAOTGGDUMO-MRXNPFEDSA-N 0 3 288.439 2.380 40 0 CEABHN CN(C)C[C@@H]1CN(CCc2ccccc2)Cc2ccnn21 ZINC000248152630 394537078 /nfs/dbraw/zinc/53/70/78/394537078.db2.gz YDPISZSPQWZXKR-QGZVFWFLSA-N 0 3 284.407 2.044 40 0 CEABHN CO[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@@H]21 ZINC000096057404 394675320 /nfs/dbraw/zinc/67/53/20/394675320.db2.gz UGJNWLSCEHHESE-AGIUHOORSA-N 0 3 253.367 2.126 40 0 CEABHN CN1CCC[C@H](Nc2cncc(Br)c2)C1 ZINC000096510502 394694274 /nfs/dbraw/zinc/69/42/74/394694274.db2.gz UGBBFMZUPNGDOF-JTQLQIEISA-N 0 3 270.174 2.350 40 0 CEABHN COc1ccc([C@@H](CN)N2CCC(C)CC2)c(OC)c1 ZINC000038809026 174156692 /nfs/dbraw/zinc/15/66/92/174156692.db2.gz VKMISRRYXJLXNC-OAHLLOKOSA-N 0 3 278.396 2.436 40 0 CEABHN CCN(CC)[C@@H](CN)c1cccc(OC)c1OC ZINC000038827648 174157522 /nfs/dbraw/zinc/15/75/22/174157522.db2.gz LAZWVOJYBIMUMK-LBPRGKRZSA-N 0 3 252.358 2.045 40 0 CEABHN CC(=O)N1CCN(C(C)C)C[C@H](COc2ccccc2)C1 ZINC000072374467 176384916 /nfs/dbraw/zinc/38/49/16/176384916.db2.gz YVTYUKQOZHZGJD-INIZCTEOSA-N 0 3 290.407 2.254 40 0 CEABHN Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C)C2)n1 ZINC000072382609 176388482 /nfs/dbraw/zinc/38/84/82/176388482.db2.gz GYMYTPWKPQTRFA-LBPRGKRZSA-N 0 3 269.352 2.343 40 0 CEABHN CNc1ncccc1CN1CC[C@@H](c2n[nH]cc2C)C1 ZINC000072386198 176391533 /nfs/dbraw/zinc/39/15/33/176391533.db2.gz MIUCRBHEBFJAMB-GFCCVEGCSA-N 0 3 271.368 2.144 40 0 CEABHN Cc1cc2nccc(C3CCN([C@@H]4CCOC4)CC3)n2n1 ZINC000257298922 274730590 /nfs/dbraw/zinc/73/05/90/274730590.db2.gz RNWIUESQDLULGW-CQSZACIVSA-N 0 3 286.379 2.006 40 0 CEABHN COC(=O)[C@H](c1ccccc1)[C@@]1(O)C[C@@H](C)N(C)C[C@H]1C ZINC000004474245 277386327 /nfs/dbraw/zinc/38/63/27/277386327.db2.gz XGFOAXWEGYBKCA-LNCBFAARSA-N 0 3 291.391 2.034 40 0 CEABHN Cc1ccccc1[C@H]1C[C@@H](O)[C@@H](O)[C@@H]1NCc1ccccc1 ZINC000072321631 281397935 /nfs/dbraw/zinc/39/79/35/281397935.db2.gz AUHFALOXOVAESE-NCXUSEDFSA-N 0 3 297.398 2.363 40 0 biogenic,in-vitro CEABHN c1coc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)c1 ZINC000096048544 185072810 /nfs/dbraw/zinc/07/28/10/185072810.db2.gz ODJOIXLINXIUPZ-HOCLYGCPSA-N 0 3 287.363 2.472 40 0 CEABHN CN1CCOCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096048904 185073528 /nfs/dbraw/zinc/07/35/28/185073528.db2.gz QCDAZINIUZFJAJ-UHFFFAOYSA-N 0 3 278.371 2.122 40 0 CEABHN O=C(Cc1cccs1)N1CC[C@]2(CCN2CC2CC2)C1 ZINC000096076003 185090225 /nfs/dbraw/zinc/09/02/25/185090225.db2.gz FHZNXFYBJNEPKR-INIZCTEOSA-N 0 3 290.432 2.377 40 0 CEABHN COc1ccc([C@H](CN)N2CCC[C@H](C)C2)c(OC)c1 ZINC000036100807 361829537 /nfs/dbraw/zinc/82/95/37/361829537.db2.gz SBZBRJHTMRUIII-WFASDCNBSA-N 0 3 278.396 2.436 40 0 CEABHN OCCN(Cc1ccc(Br)cc1)C1CC1 ZINC000048065474 362243167 /nfs/dbraw/zinc/24/31/67/362243167.db2.gz SQLKDDHXDGYZEI-UHFFFAOYSA-N 0 3 270.170 2.406 40 0 CEABHN c1ccc([C@H]2CNCCN2Cc2ccncc2)cc1 ZINC000068696174 362945118 /nfs/dbraw/zinc/94/51/18/362945118.db2.gz IMKZPPXNAJTKHH-MRXNPFEDSA-N 0 3 253.349 2.228 40 0 CEABHN Cc1ccc(CN2CCC3(CNC(=O)C3)CC2)s1 ZINC000108527396 186220761 /nfs/dbraw/zinc/22/07/61/186220761.db2.gz SHFRRNZKCZYBJO-UHFFFAOYSA-N 0 3 264.394 2.159 40 0 CEABHN COc1ccc(-c2noc(-c3ccnc(NN)c3)n2)cc1 ZINC000070451561 363084032 /nfs/dbraw/zinc/08/40/32/363084032.db2.gz CVEPUOKIYYYTKV-UHFFFAOYSA-N 0 3 283.291 2.093 40 0 CEABHN COc1ccc(-c2noc(-c3cc[nH]c(=NN)c3)n2)cc1 ZINC000070451561 363084033 /nfs/dbraw/zinc/08/40/33/363084033.db2.gz CVEPUOKIYYYTKV-UHFFFAOYSA-N 0 3 283.291 2.093 40 0 CEABHN Cc1cccc(CNC(=O)CC2CCN(C)CC2)c1 ZINC000074920909 363418733 /nfs/dbraw/zinc/41/87/33/363418733.db2.gz NONFMDIQSHTYBG-UHFFFAOYSA-N 0 3 260.381 2.343 40 0 CEABHN CC(C)(C)OC(=O)N(C[C@H]1CCCN(CCO)C1)C1CC1 ZINC000079408233 363595837 /nfs/dbraw/zinc/59/58/37/363595837.db2.gz GVONRHMNXDNATN-ZDUSSCGKSA-N 0 3 298.427 2.090 40 0 CEABHN C[C@H](N)C(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000079420602 363598304 /nfs/dbraw/zinc/59/83/04/363598304.db2.gz AUTIIMHJQWISMM-VIFPVBQESA-N 0 3 297.196 2.287 40 0 CEABHN CSc1ccc(CN(C(=O)[C@H](C)N)C(C)C)cc1 ZINC000079420572 363599059 /nfs/dbraw/zinc/59/90/59/363599059.db2.gz HKLVSPIVSHUHBT-NSHDSACASA-N 0 3 266.410 2.493 40 0 CEABHN CSCSC[C@@H](CO)NCc1ccccc1 ZINC000001635509 361213484 /nfs/dbraw/zinc/21/34/84/361213484.db2.gz NCYQXZFKRIWXJK-GFCCVEGCSA-N 0 3 257.424 2.191 40 0 CEABHN O=C(COc1ccc(Cl)cc1)O[C@H]1CN2CCC1CC2 ZINC000004897285 361328891 /nfs/dbraw/zinc/32/88/91/361328891.db2.gz AKGAGURKPAIOPS-AWEZNQCLSA-N 0 3 295.766 2.356 40 0 CEABHN CCN(CC)CCNCc1ccc(OC)cc1OC ZINC000019919136 361566873 /nfs/dbraw/zinc/56/68/73/361566873.db2.gz MSAAOSURZXKPRP-UHFFFAOYSA-N 0 3 266.385 2.135 40 0 CEABHN COc1ccc(CCNCc2cc(C)nn2C)cc1OC ZINC000089182055 363946761 /nfs/dbraw/zinc/94/67/61/363946761.db2.gz MHXGJHLHDLNEGK-UHFFFAOYSA-N 0 3 289.379 2.078 40 0 CEABHN CCCN1CCN(CCOC)c2nc(C)ccc2C1 ZINC000096199040 364408919 /nfs/dbraw/zinc/40/89/19/364408919.db2.gz OJAZWBVJEQEYGM-UHFFFAOYSA-N 0 3 263.385 2.068 40 0 CEABHN CCN(CC)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185778 364407109 /nfs/dbraw/zinc/40/71/09/364407109.db2.gz RHOUWIGEKHPURK-ZACQAIPSSA-N 0 3 289.423 2.155 40 0 CEABHN c1coc(CN2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)c1 ZINC000096249302 364416965 /nfs/dbraw/zinc/41/69/65/364416965.db2.gz OXKNUNVMFCNJIV-IAGOWNOFSA-N 0 3 290.407 2.355 40 0 CEABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1cccnc1 ZINC000096245174 364417118 /nfs/dbraw/zinc/41/71/18/364417118.db2.gz DNZGVNIZPUTSIK-ZFWWWQNUSA-N 0 3 299.399 2.238 40 0 CEABHN CC(C)N1CCC2(CC1)CNC(=O)C[C@@H]2C(F)(F)F ZINC000096261793 364418649 /nfs/dbraw/zinc/41/86/49/364418649.db2.gz SUZXDVIDNAUOJU-JTQLQIEISA-N 0 3 278.318 2.175 40 0 CEABHN CN1CCO[C@]2(CCCN(Cc3cccs3)C2)C1 ZINC000096268626 364419894 /nfs/dbraw/zinc/41/98/94/364419894.db2.gz AQSFSFPAVZSNHN-CQSZACIVSA-N 0 3 266.410 2.045 40 0 CEABHN OC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000102225116 364587797 /nfs/dbraw/zinc/58/77/97/364587797.db2.gz JVJIYCXIYVNRHB-RYUDHWBXSA-N 0 3 259.271 2.289 40 0 CEABHN CC[C@H](Oc1ccc(C)cc1)C(=O)NC1CCN(C)CC1 ZINC000113960029 364919677 /nfs/dbraw/zinc/91/96/77/364919677.db2.gz DXJDHXIDCNONSG-INIZCTEOSA-N 0 3 290.407 2.363 40 0 CEABHN COC(=O)CC1CCN(CCC(F)(F)F)CC1 ZINC000259961041 371631339 /nfs/dbraw/zinc/63/13/39/371631339.db2.gz PABYYJAATLHYMN-UHFFFAOYSA-N 0 3 253.264 2.214 40 0 CEABHN CC(C)N1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257243876 190018339 /nfs/dbraw/zinc/01/83/39/190018339.db2.gz IIYJAMZHHXHNQK-LBPRGKRZSA-N 0 3 271.368 2.455 40 0 CEABHN CCn1cc(-c2cnc(C[C@@H]3CCCN(C)C3)cn2)cn1 ZINC000257247669 190019226 /nfs/dbraw/zinc/01/92/26/190019226.db2.gz IZZUGRJQXOCHFJ-ZDUSSCGKSA-N 0 3 285.395 2.244 40 0 CEABHN Cc1csc([N-]c2nccnc2C2CC[NH2+]CC2)n1 ZINC000257251043 190020353 /nfs/dbraw/zinc/02/03/53/190020353.db2.gz JPEFZIOCUGVSIX-UHFFFAOYSA-N 0 3 275.381 2.452 40 0 CEABHN C[C@@H]1CN(c2cccc(C3CCN(C)CC3)n2)C(=O)O1 ZINC000257272312 190024147 /nfs/dbraw/zinc/02/41/47/190024147.db2.gz NBXQISVNIZMUPI-LLVKDONJSA-N 0 3 275.352 2.236 40 0 CEABHN CCn1nccc1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000257262922 190022242 /nfs/dbraw/zinc/02/22/42/190022242.db2.gz LNQOMPKHBKSNLT-GFCCVEGCSA-N 0 3 271.368 2.169 40 0 CEABHN CC(C)N1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257263101 190022692 /nfs/dbraw/zinc/02/26/92/190022692.db2.gz LOJOGOHTWCXGJK-GFCCVEGCSA-N 0 3 290.367 2.021 40 0 CEABHN CN1CCN(CC2CCOCC2)C[C@H]1c1ccccc1 ZINC000257276967 190025816 /nfs/dbraw/zinc/02/58/16/190025816.db2.gz NVXIWKSFLGNMOR-KRWDZBQOSA-N 0 3 274.408 2.402 40 0 CEABHN CCn1nc(C)c(CN2CC[C@@H](c3cc[nH]n3)C2)c1C ZINC000257304679 190030528 /nfs/dbraw/zinc/03/05/28/190030528.db2.gz SMRZFIRWGUQAHL-CYBMUJFWSA-N 0 3 273.384 2.232 40 0 CEABHN Cc1cn(C)c([C@H]2CCCN(Cc3ccnc(C)n3)C2)n1 ZINC000257342605 190037134 /nfs/dbraw/zinc/03/71/34/190037134.db2.gz ZPKUHMHWWFJSIU-AWEZNQCLSA-N 0 3 285.395 2.207 40 0 CEABHN Cc1ccc(CNCCc2cccc(C(N)=O)c2)o1 ZINC000237740220 131055536 /nfs/dbraw/zinc/05/55/36/131055536.db2.gz VYFZLHVRDWPWOJ-UHFFFAOYSA-N 0 3 258.321 2.019 40 0 CEABHN O=C(CNC1CC1)Nc1ccccc1OC(F)(F)F ZINC000037609139 394497313 /nfs/dbraw/zinc/49/73/13/394497313.db2.gz MVHVCEOZBSKWNY-UHFFFAOYSA-N 0 3 274.242 2.276 40 0 CEABHN CCOC(=O)[C@H](CN)C(C)(C)Nc1ccccc1 ZINC000072210415 394592431 /nfs/dbraw/zinc/59/24/31/394592431.db2.gz OLCGLIJGKHIGFG-LBPRGKRZSA-N 0 3 250.342 2.015 40 0 CEABHN CC(C)N1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216582 394593369 /nfs/dbraw/zinc/59/33/69/394593369.db2.gz URPAHDFOTZAADV-INIZCTEOSA-N 0 3 288.439 2.379 40 0 CEABHN Cc1cc([C@H]2CCCCN2C)cnc1N1CCOCC1 ZINC000072219355 394594284 /nfs/dbraw/zinc/59/42/84/394594284.db2.gz PVFLDBQEPOWSBI-OAHLLOKOSA-N 0 3 275.396 2.383 40 0 CEABHN CCOC(=O)[C@@H](CN)[C@](C)(CC)Nc1ccccc1 ZINC000072210424 394592119 /nfs/dbraw/zinc/59/21/19/394592119.db2.gz CSLWMWGDLMDQTK-HIFRSBDPSA-N 0 3 264.369 2.405 40 0 CEABHN CCN(CC)c1ccc2cc(C(=N)NC)c(=O)oc2c1 ZINC000255187881 400316616 /nfs/dbraw/zinc/31/66/16/400316616.db2.gz HILQZMYQDBUMEY-UHFFFAOYSA-N 0 3 273.336 2.184 40 0 CEABHN CCOc1ccccc1[C@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022169654 171367102 /nfs/dbraw/zinc/36/71/02/171367102.db2.gz KUHBBCHKJVKJPO-GUTXKFCHSA-N 0 3 278.396 2.194 40 0 CEABHN Cc1cc(Nc2cccc([C@H]3CCCN3CCO)n2)no1 ZINC000072383040 176388116 /nfs/dbraw/zinc/38/81/16/176388116.db2.gz ZUYKMGCTTZYUQL-CYBMUJFWSA-N 0 3 288.351 2.251 40 0 CEABHN Cc1ccc(CN2CCC3(CCCNC3=O)CC2)cc1 ZINC000072393734 176394364 /nfs/dbraw/zinc/39/43/64/176394364.db2.gz MCSNQNDGWPYKBZ-UHFFFAOYSA-N 0 3 272.392 2.487 40 0 CEABHN COC(=O)c1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000074921035 176635440 /nfs/dbraw/zinc/63/54/40/176635440.db2.gz WNBPVQJAMISOGN-UHFFFAOYSA-N 0 3 290.363 2.144 40 0 CEABHN CN(C)C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000009970707 289189502 /nfs/dbraw/zinc/18/95/02/289189502.db2.gz QHOISADSPHRGIG-KYEXWDHISA-N 0 3 255.402 2.140 40 0 CEABHN CN(C)C[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000245481480 334196352 /nfs/dbraw/zinc/19/63/52/334196352.db2.gz CJYWUBAMFOMXNK-BYNSBNAKSA-N 0 3 264.413 2.365 40 0 CEABHN [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2ccco2)[n-]1 ZINC000095534822 185007776 /nfs/dbraw/zinc/00/77/76/185007776.db2.gz LDPXCDVQEVKNNU-NSHDSACASA-N 0 3 254.293 2.307 40 0 CEABHN N[C@@H](Cc1ccccc1)c1nc(-c2ccco2)n[nH]1 ZINC000095534822 185007777 /nfs/dbraw/zinc/00/77/77/185007777.db2.gz LDPXCDVQEVKNNU-NSHDSACASA-N 0 3 254.293 2.307 40 0 CEABHN N[C@@H](Cc1ccccc1)c1nc(-c2ccccn2)n[nH]1 ZINC000095534854 185007928 /nfs/dbraw/zinc/00/79/28/185007928.db2.gz ZNZKYOXYLNDPRV-LBPRGKRZSA-N 0 3 265.320 2.109 40 0 CEABHN COC[C@]12CCCO[C@@H]1CCN(Cc1c(C)noc1C)C2 ZINC000096038986 185068816 /nfs/dbraw/zinc/06/88/16/185068816.db2.gz GZUKRQBPKZRFIF-HZPDHXFCSA-N 0 3 294.395 2.309 40 0 CEABHN O=C1[C@H]2CN(Cc3ccccn3)C[C@H]2CN1c1ccsc1 ZINC000096053687 185074906 /nfs/dbraw/zinc/07/49/06/185074906.db2.gz KHGWGRKYLPWAMZ-WFASDCNBSA-N 0 3 299.399 2.238 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 ZINC000096056721 185077710 /nfs/dbraw/zinc/07/77/10/185077710.db2.gz YLSCRXPAZCUAOA-HOTGVXAUSA-N 0 3 276.380 2.099 40 0 CEABHN CC(C)OCc1ncn2c1CN(CC1CC1)CCC2 ZINC000096059054 185078833 /nfs/dbraw/zinc/07/88/33/185078833.db2.gz YUQFDFIHAYEPRY-UHFFFAOYSA-N 0 3 263.385 2.424 40 0 CEABHN CC(C)OCc1nn(C)c2c1CCN(CC1CC1)C2 ZINC000096058975 185079438 /nfs/dbraw/zinc/07/94/38/185079438.db2.gz KAYBBWVVSBHSMM-UHFFFAOYSA-N 0 3 263.385 2.113 40 0 CEABHN Cn1cc2c(n1)[C@@H](COCC1CC1)CN(CC1CC1)C2 ZINC000096059865 185080822 /nfs/dbraw/zinc/08/08/22/185080822.db2.gz JDUDVFQXSXKBOK-OAHLLOKOSA-N 0 3 275.396 2.156 40 0 CEABHN c1c2c(nn1CC1CC1)[C@@H](CNCc1cccnc1)OCC2 ZINC000096059752 185081943 /nfs/dbraw/zinc/08/19/43/185081943.db2.gz ZLZPUTRUEVUSKV-MRXNPFEDSA-N 0 3 298.390 2.092 40 0 CEABHN CN1CCC[C@]2(CCN(C(=O)c3ccsc3)C2)C1 ZINC000096071568 185086747 /nfs/dbraw/zinc/08/67/47/185086747.db2.gz XCLXNTAOOWJNGR-AWEZNQCLSA-N 0 3 264.394 2.306 40 0 CEABHN Cc1cccc(CNC2CCC3(CCC(=O)N3C)CC2)n1 ZINC000096075820 185089169 /nfs/dbraw/zinc/08/91/69/185089169.db2.gz SKFHNFSOUDRFIG-UHFFFAOYSA-N 0 3 287.407 2.413 40 0 CEABHN COc1ccccc1CN1CC[C@]2(C[C@@H](OC)CO2)C1 ZINC000096107686 185099698 /nfs/dbraw/zinc/09/96/98/185099698.db2.gz DQMDGMOIYJJWNS-ZBFHGGJFSA-N 0 3 277.364 2.075 40 0 CEABHN c1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 ZINC000096112707 185101193 /nfs/dbraw/zinc/10/11/93/185101193.db2.gz VMTOOBGTQBAGBS-AWEZNQCLSA-N 0 3 294.358 2.292 40 0 biogenic,in-vitro CEABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccoc2)N1Cc1ccncc1 ZINC000096110715 185101567 /nfs/dbraw/zinc/10/15/67/185101567.db2.gz NMQAKDBSYCNCTJ-JKSUJKDBSA-N 0 3 297.358 2.050 40 0 CEABHN C[C@H]1CN([C@@H](CN)c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000036100518 361827412 /nfs/dbraw/zinc/82/74/12/361827412.db2.gz AZNIWJXAYMFWFF-MJVIPROJSA-N 0 3 268.788 2.449 40 0 CEABHN CCC(CC)NC(=O)c1cnc([C@H]2CCCN2)nc1C ZINC000019766774 343374745 /nfs/dbraw/zinc/37/47/45/343374745.db2.gz HKUXQACHLKXLAN-CYBMUJFWSA-N 0 3 276.384 2.128 40 0 CEABHN NCc1cn(-c2ccc(OCc3ccccc3)cc2)nn1 ZINC000062261521 343670698 /nfs/dbraw/zinc/67/06/98/343670698.db2.gz PDFWBTWVSBOZBP-UHFFFAOYSA-N 0 3 280.331 2.305 40 0 CEABHN CN(C)CCNc1nccc(N2CCc3ccccc3C2)n1 ZINC000147985510 344412619 /nfs/dbraw/zinc/41/26/19/344412619.db2.gz BTVZZOJKJKSPFE-UHFFFAOYSA-N 0 3 297.406 2.013 40 0 CEABHN Cc1ccc2[nH]c(=O)c(CN[C@H](CO)C(C)C)cc2c1 ZINC000585293236 345010570 /nfs/dbraw/zinc/01/05/70/345010570.db2.gz SNUQTUSSTJFELX-OAHLLOKOSA-N 0 3 274.364 2.355 40 0 CEABHN CCN1CCN[C@H](c2cccc(Br)c2)C1 ZINC000056894802 362563856 /nfs/dbraw/zinc/56/38/56/362563856.db2.gz BZUDSMCRMQDHGH-LBPRGKRZSA-N 0 3 269.186 2.415 40 0 CEABHN COCc1cc(CC2(NCC3CCCCC3)COC2)no1 ZINC000067897960 362930320 /nfs/dbraw/zinc/93/03/20/362930320.db2.gz PZVXCVYZRSHRTM-UHFFFAOYSA-N 0 3 294.395 2.302 40 0 biogenic,in-vitro CEABHN Cc1ccc(F)cc1CN1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108529404 186222467 /nfs/dbraw/zinc/22/24/67/186222467.db2.gz BYOWABIPLBYZHN-HOTGVXAUSA-N 0 3 278.371 2.039 40 0 CEABHN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(C)C2)c1C ZINC000072865974 363171941 /nfs/dbraw/zinc/17/19/41/363171941.db2.gz XDJNSHRCAFNUPI-LBPRGKRZSA-N 0 3 290.363 2.062 40 0 CEABHN COc1ccc([C@@H](O)[C@@H](NCCO)c2ccccc2)cc1 ZINC000001594037 538736093 /nfs/dbraw/zinc/73/60/93/538736093.db2.gz TZIFCSOXBAJUGV-DLBZAZTESA-N 0 3 287.359 2.052 40 0 CEABHN N=C1NC[C@@H]2c3ccccc3C(=O)c3ccccc3N12 ZINC000044699763 283409556 /nfs/dbraw/zinc/40/95/56/283409556.db2.gz ZLEUIRBHHWJTHP-CQSZACIVSA-N 0 3 263.300 2.107 40 0 in-vitro CEABHN CC[C@@H]1NC(=N)NC(=N)N1c1ccc(Cl)c(Cl)c1 ZINC000001666574 361214761 /nfs/dbraw/zinc/21/47/61/361214761.db2.gz QUCCHVCOIPRXTC-SECBINFHSA-N 0 3 286.166 2.179 40 0 CEABHN CCC(=O)N1CCc2cc([C@@H](O)CN3CCCC3)ccc21 ZINC000012181076 361374064 /nfs/dbraw/zinc/37/40/64/361374064.db2.gz IZRAIMQFVMKNHJ-INIZCTEOSA-N 0 3 288.391 2.115 40 0 CEABHN CN1CCC[C@@H](C(=O)Nc2ccc(F)cc2F)C1 ZINC000082336774 363767885 /nfs/dbraw/zinc/76/78/85/363767885.db2.gz FVASUJIRQBSLBJ-SECBINFHSA-N 0 3 254.280 2.245 40 0 CEABHN CO[C@@H]1COC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC000096158767 364402592 /nfs/dbraw/zinc/40/25/92/364402592.db2.gz DEFDZINJINBHQY-ZDUSSCGKSA-N 0 3 280.368 2.061 40 0 CEABHN Cc1ccc(CN2CCO[C@H]3CN(CC(C)C)C[C@H]32)o1 ZINC000096248806 364416294 /nfs/dbraw/zinc/41/62/94/364416294.db2.gz QFZULKYZOXAHAH-CVEARBPZSA-N 0 3 278.396 2.129 40 0 CEABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@H]12 ZINC000096251830 364416620 /nfs/dbraw/zinc/41/66/20/364416620.db2.gz UHTREDXJIPCEJL-WMZOPIPTSA-N 0 3 299.418 2.206 40 0 CEABHN CCCNC(=O)C1=NO[C@@]2(C1)CCCN(CCC(C)C)C2 ZINC000585101209 367177223 /nfs/dbraw/zinc/17/72/23/367177223.db2.gz OBCULYIJHIEIKN-MRXNPFEDSA-N 0 3 295.427 2.170 40 0 CEABHN CC(C)N1C[C@@]2(CCCN(CC3CC(F)(F)C3)C2)C1=O ZINC000585099333 367177437 /nfs/dbraw/zinc/17/74/37/367177437.db2.gz FYTLARQUYQUGKZ-AWEZNQCLSA-N 0 3 286.366 2.365 40 0 CEABHN Cc1ccc(Nc2cc(C)nc(N3CCNCC3)n2)cc1 ZINC000217504902 370196603 /nfs/dbraw/zinc/19/66/03/370196603.db2.gz RVQUEDRMLIIAPV-UHFFFAOYSA-N 0 3 283.379 2.247 40 0 CEABHN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)C ZINC000223595306 370268746 /nfs/dbraw/zinc/26/87/46/370268746.db2.gz FTXOXJUNHQZFBX-ZDUSSCGKSA-N 0 3 290.407 2.011 40 0 CEABHN Cc1c[nH]c([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000257214261 190013522 /nfs/dbraw/zinc/01/35/22/190013522.db2.gz CLHNKVHCOOTQFK-CYBMUJFWSA-N 0 3 256.353 2.493 40 0 CEABHN CCn1nccc1-c1cnc([C@@H]2CCCN2C)cn1 ZINC000257224549 190015702 /nfs/dbraw/zinc/01/57/02/190015702.db2.gz FCGINBSAMSOYLW-ZDUSSCGKSA-N 0 3 257.341 2.127 40 0 CEABHN CCN(CCN(C)C)Cc1cnc([C@@H]2CCCCO2)nc1 ZINC000257254576 190020903 /nfs/dbraw/zinc/02/09/03/190020903.db2.gz KDSOIRGQFAFWRC-HNNXBMFYSA-N 0 3 292.427 2.102 40 0 CEABHN COc1ccc([C@H]2CNCCN2Cc2nccs2)cc1 ZINC000257310225 190031656 /nfs/dbraw/zinc/03/16/56/190031656.db2.gz UEFYZNLMYDWBBJ-CQSZACIVSA-N 0 3 289.404 2.298 40 0 CEABHN Cc1nc[nH]c1CN1CCC[C@H](c2ccc3c[nH]nc3n2)C1 ZINC000257317849 190032893 /nfs/dbraw/zinc/03/28/93/190032893.db2.gz VLLGSVSFJHNQKH-ZDUSSCGKSA-N 0 3 296.378 2.369 40 0 CEABHN Cc1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2ccccn2)nn1 ZINC000306127593 376540308 /nfs/dbraw/zinc/54/03/08/376540308.db2.gz GCYODMMXAMATDJ-HZPDHXFCSA-N 0 3 295.390 2.033 40 0 CEABHN CCN1Cc2ccccc2CC2(CCN(C)CC2)C1=O ZINC000096243394 256830858 /nfs/dbraw/zinc/83/08/58/256830858.db2.gz SCNPWVSUJHVUPY-UHFFFAOYSA-N 0 3 272.392 2.303 40 0 CEABHN COc1c2c(c(C(F)F)c3c1CN(C)CC3)OCO2 ZINC000242390143 394495840 /nfs/dbraw/zinc/49/58/40/394495840.db2.gz AAJCQVZATBJHCH-UHFFFAOYSA-N 0 3 271.263 2.349 40 0 CEABHN CCN1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216213 394593623 /nfs/dbraw/zinc/59/36/23/394593623.db2.gz FGXWEXFSRCNSDW-CQSZACIVSA-N 0 3 261.369 2.075 40 0 CEABHN Cc1cccc(N2CCO[C@H](c3cc(N)cc(C)n3)C2)n1 ZINC000257257615 394595484 /nfs/dbraw/zinc/59/54/84/394595484.db2.gz KQKUAJLDKYKBLT-HNNXBMFYSA-N 0 3 284.363 2.254 40 0 CEABHN OCC[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000006567547 170214127 /nfs/dbraw/zinc/21/41/27/170214127.db2.gz TUDVXGNOHPTXJN-ZDUSSCGKSA-N 0 3 263.337 2.325 40 0 CEABHN CCCCOC[C@H](O)CN1CCc2ccccc2C1 ZINC000008844775 170357400 /nfs/dbraw/zinc/35/74/00/170357400.db2.gz OEEALKPMNGSFLR-MRXNPFEDSA-N 0 3 263.381 2.222 40 0 CEABHN COc1cccc([C@@H](CN)N2CCC(C)CC2)c1OC ZINC000038785091 174155172 /nfs/dbraw/zinc/15/51/72/174155172.db2.gz KURISMJAGCSGDW-CQSZACIVSA-N 0 3 278.396 2.436 40 0 CEABHN Cc1nccn1-c1cccc([C@H]2CCCN(C)C2)n1 ZINC000072355668 176375031 /nfs/dbraw/zinc/37/50/31/176375031.db2.gz CMHJUKZFOODYNP-ZDUSSCGKSA-N 0 3 256.353 2.385 40 0 CEABHN Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072359945 176376947 /nfs/dbraw/zinc/37/69/47/176376947.db2.gz LKOFNRCYYAMZTH-GFCCVEGCSA-N 0 3 284.367 2.128 40 0 CEABHN CN1CCC[C@H](c2cnc(Nc3nccs3)cn2)C1 ZINC000072361543 176377884 /nfs/dbraw/zinc/37/78/84/176377884.db2.gz LRKNQVBPEFZRQM-JTQLQIEISA-N 0 3 275.381 2.486 40 0 CEABHN c1ccc(-c2cc(CN3CCCC3)c3nnnn3c2)cc1 ZINC000072373699 176385007 /nfs/dbraw/zinc/38/50/07/176385007.db2.gz WZKCXICUKIWMTQ-UHFFFAOYSA-N 0 3 279.347 2.387 40 0 CEABHN CNc1ccc(C[C@H]2CCCN(Cc3cccnc3)C2)nn1 ZINC000072387312 176392766 /nfs/dbraw/zinc/39/27/66/176392766.db2.gz UKEPVTDTKSSVIU-CQSZACIVSA-N 0 3 297.406 2.368 40 0 CEABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(CCO)C1 ZINC000079408103 279299514 /nfs/dbraw/zinc/29/95/14/279299514.db2.gz RVHXBXMKCHWOOA-ZDUSSCGKSA-N 0 3 286.416 2.089 40 0 CEABHN N[C@H](C(=O)N1Cc2ccccc2C1)C1CCCCC1 ZINC000014949355 279682356 /nfs/dbraw/zinc/68/23/56/279682356.db2.gz SUSVSQMWKFICCC-HNNXBMFYSA-N 0 3 258.365 2.436 40 0 CEABHN CC(C)Nc1ncc(CNC[C@@H](O)c2ccccc2)cn1 ZINC000062717626 333175835 /nfs/dbraw/zinc/17/58/35/333175835.db2.gz CLXZRCQMBMYQIM-OAHLLOKOSA-N 0 3 286.379 2.120 40 0 CEABHN COc1ccc(CNC(=O)OC(C)(C)C)c(CN)c1 ZINC000095775063 185028288 /nfs/dbraw/zinc/02/82/88/185028288.db2.gz OEYPEJHSHYZRLF-UHFFFAOYSA-N 0 3 266.341 2.179 40 0 CEABHN c1cncc(CN2CC3CN(Cc4cccnc4)CC3C2)c1 ZINC000096053741 185074234 /nfs/dbraw/zinc/07/42/34/185074234.db2.gz MUGAKAARWHXDJS-UHFFFAOYSA-N 0 3 294.402 2.040 40 0 CEABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccnc1)C2 ZINC000096056808 185078025 /nfs/dbraw/zinc/07/80/25/185078025.db2.gz QGEMVTUHWNOLFE-IAGOWNOFSA-N 0 3 290.407 2.489 40 0 CEABHN CCOC[C@]12COC[C@H]1CN(Cc1ccccc1OC)C2 ZINC000096108674 185099260 /nfs/dbraw/zinc/09/92/60/185099260.db2.gz QWZPHFFFWUUZAJ-NVXWUHKLSA-N 0 3 291.391 2.180 40 0 CEABHN COc1cc(OC)cc([C@@H](CN)N2CCC[C@H](C)C2)c1 ZINC000108349990 344265112 /nfs/dbraw/zinc/26/51/12/344265112.db2.gz MICPJGHFZAGIHR-BLLLJJGKSA-N 0 3 278.396 2.436 40 0 CEABHN CC(C)N1CCC[C@@H]1c1cncc(-c2nccn2C)n1 ZINC000585178864 345009209 /nfs/dbraw/zinc/00/92/09/345009209.db2.gz UBYVYLCPNQCPSL-CQSZACIVSA-N 0 3 271.368 2.422 40 0 CEABHN O=C1CC[C@]2(CCCN(CCOc3ccccc3)C2)O1 ZINC000585282260 345009911 /nfs/dbraw/zinc/00/99/11/345009911.db2.gz CFFRVEKENJRPCS-INIZCTEOSA-N 0 3 275.348 2.237 40 0 CEABHN Cc1n[nH]cc1CN1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585278836 345010025 /nfs/dbraw/zinc/01/00/25/345010025.db2.gz HJDNJVMBIFAZFY-NVXWUHKLSA-N 0 3 285.391 2.144 40 0 CEABHN CCNc1ncc(CNCCc2ccc(F)cc2)cn1 ZINC000062717543 362720746 /nfs/dbraw/zinc/72/07/46/362720746.db2.gz WHPPHLHAIHOOJD-UHFFFAOYSA-N 0 3 274.343 2.380 40 0 CEABHN c1coc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)c1 ZINC000107731326 186189086 /nfs/dbraw/zinc/18/90/86/186189086.db2.gz ODJOIXLINXIUPZ-ZBFHGGJFSA-N 0 3 287.363 2.472 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1c(C)noc1C)C2 ZINC000107711053 186188145 /nfs/dbraw/zinc/18/81/45/186188145.db2.gz GZUKRQBPKZRFIF-HOTGVXAUSA-N 0 3 294.395 2.309 40 0 CEABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ncccc1C)C2 ZINC000108530796 186221888 /nfs/dbraw/zinc/22/18/88/186221888.db2.gz LTDMHYXTONCYPG-RHSMWYFYSA-N 0 3 287.407 2.128 40 0 CEABHN CN(Cc1ccccc1)C(=O)CC1CCN(C)CC1 ZINC000074920913 363418848 /nfs/dbraw/zinc/41/88/48/363418848.db2.gz RBZYQVKYPATAFY-UHFFFAOYSA-N 0 3 260.381 2.377 40 0 CEABHN CN1CCC(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000074920925 363419042 /nfs/dbraw/zinc/41/90/42/363419042.db2.gz XGRCVXPGBILAHE-UHFFFAOYSA-N 0 3 272.392 2.303 40 0 CEABHN CC(C)[C@H](N)C(=O)N([C@H](C)c1ccccn1)C1CC1 ZINC000079421854 363598110 /nfs/dbraw/zinc/59/81/10/363598110.db2.gz FTHVYNIPQBPTRL-RISCZKNCSA-N 0 3 261.369 2.117 40 0 CEABHN Cc1cccc(-c2nc(C)cc(N3CCNCC3)n2)c1 ZINC000006833927 361338922 /nfs/dbraw/zinc/33/89/22/361338922.db2.gz LTQPKMQOUQSKCO-UHFFFAOYSA-N 0 3 268.364 2.170 40 0 CEABHN CCOc1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000082326027 363765457 /nfs/dbraw/zinc/76/54/57/363765457.db2.gz XDEIKPCOHKPNLE-GFCCVEGCSA-N 0 3 262.353 2.366 40 0 CEABHN Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000019285266 361526467 /nfs/dbraw/zinc/52/64/67/361526467.db2.gz GSLXRSXVXKOFMX-CQSZACIVSA-N 0 3 269.348 2.068 40 0 CEABHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(=O)[n-]1 ZINC000019285266 361526469 /nfs/dbraw/zinc/52/64/69/361526469.db2.gz GSLXRSXVXKOFMX-CQSZACIVSA-N 0 3 269.348 2.068 40 0 CEABHN COc1ccc2c(c1)[C@@H](O)[C@H](NCc1ccccc1)C2 ZINC000031912100 361722479 /nfs/dbraw/zinc/72/24/79/361722479.db2.gz QOAGIRXXYXCYCD-IAGOWNOFSA-N 0 3 269.344 2.443 40 0 CEABHN O[C@H](CNCc1ccccc1)COc1ccc(F)cc1 ZINC000032121580 361729641 /nfs/dbraw/zinc/72/96/41/361729641.db2.gz FHGGAYJIILRRNP-OAHLLOKOSA-N 0 3 275.323 2.355 40 0 CEABHN CCOC(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1 ZINC000087493570 363857796 /nfs/dbraw/zinc/85/77/96/363857796.db2.gz QSQXPRJUZJUTIP-UHFFFAOYSA-N 0 3 276.336 2.285 40 0 CEABHN O[C@H]1CCN(Cc2ccsc2)[C@H]1Cc1ccncc1 ZINC000096200713 364411098 /nfs/dbraw/zinc/41/10/98/364411098.db2.gz XIJBPPCNNHFGAZ-GJZGRUSLSA-N 0 3 274.389 2.321 40 0 CEABHN Cc1ccc(CN2CCO[C@H]3CN(CC4CCC4)C[C@H]32)o1 ZINC000096248808 364417219 /nfs/dbraw/zinc/41/72/19/364417219.db2.gz DCRBQDHFKYFLKI-SJORKVTESA-N 0 3 290.407 2.273 40 0 CEABHN CN(C)C(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000096251827 364417241 /nfs/dbraw/zinc/41/72/41/364417241.db2.gz PXSZZMGCICPJRP-RDJZCZTQSA-N 0 3 287.407 2.016 40 0 CEABHN CCc1ncnc2c1CCN(Cc1cccc(C)n1)CC2 ZINC000096255023 364418122 /nfs/dbraw/zinc/41/81/22/364418122.db2.gz QNOKZAOUPGAKTJ-UHFFFAOYSA-N 0 3 282.391 2.343 40 0 CEABHN Cc1ccc(CN2CCc3ncnc(C)c3CC2)o1 ZINC000096254947 364418166 /nfs/dbraw/zinc/41/81/66/364418166.db2.gz JRBROGRFIBPUJY-UHFFFAOYSA-N 0 3 257.337 2.287 40 0 CEABHN CCn1c(CNCCOC)ccc1Cc1ccco1 ZINC000226021557 370327180 /nfs/dbraw/zinc/32/71/80/370327180.db2.gz SKWCWZLAJQUTOG-UHFFFAOYSA-N 0 3 262.353 2.428 40 0 CEABHN c1csc(CN2CC[C@H]3[C@H]2CCN3CC2CC2)n1 ZINC000253590786 371530320 /nfs/dbraw/zinc/53/03/20/371530320.db2.gz FROUFMGEDWSKDO-QWHCGFSZSA-N 0 3 263.410 2.202 40 0 CEABHN Cc1cccc(N2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 ZINC000257279963 371610704 /nfs/dbraw/zinc/61/07/04/371610704.db2.gz OIXLGPKXHWCVRD-HNNXBMFYSA-N 0 3 298.390 2.205 40 0 CEABHN Cc1cnc([N-]c2nccnc2[C@@H]2CCC[NH2+]C2)s1 ZINC000257238504 190018070 /nfs/dbraw/zinc/01/80/70/190018070.db2.gz HLHMZDVAWNXIPX-SNVBAGLBSA-N 0 3 275.381 2.452 40 0 CEABHN Cc1nccn1C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000257243796 190018243 /nfs/dbraw/zinc/01/82/43/190018243.db2.gz IIOPGNQRTGIAJS-INIZCTEOSA-N 0 3 270.380 2.499 40 0 CEABHN Cc1cccc(CN2CC[C@H](c3nccc(C)n3)C2)n1 ZINC000257293389 190028784 /nfs/dbraw/zinc/02/87/84/190028784.db2.gz QPGSNILBQSWVDJ-AWEZNQCLSA-N 0 3 268.364 2.478 40 0 CEABHN Cc1c(CN2CC[C@@H](Cc3nccs3)C2)cnn1C ZINC000257301144 190030299 /nfs/dbraw/zinc/03/02/99/190030299.db2.gz RXDOWZIUABEXGQ-LBPRGKRZSA-N 0 3 276.409 2.250 40 0 CEABHN COc1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000257302619 190030410 /nfs/dbraw/zinc/03/04/10/190030410.db2.gz SDPHHVDAAIAUIG-INIZCTEOSA-N 0 3 291.391 2.201 40 0 CEABHN N[C@H]1CCN(Cc2ccc(Cl)cc2Cl)C1=O ZINC000255190360 394579724 /nfs/dbraw/zinc/57/97/24/394579724.db2.gz WTSGVPRAOMQIAR-JTQLQIEISA-N 0 3 259.136 2.053 40 0 CEABHN Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C ZINC000072219639 394594496 /nfs/dbraw/zinc/59/44/96/394594496.db2.gz ROFHTNGNDVYMKN-HNNXBMFYSA-N 0 3 275.396 2.383 40 0 CEABHN CCCC[C@@H](NC)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005467258 170102201 /nfs/dbraw/zinc/10/22/01/170102201.db2.gz SDTVAMLVYJOLFX-GFCCVEGCSA-N 0 3 278.352 2.175 40 0 CEABHN O=C(CNC1CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000037386647 173170061 /nfs/dbraw/zinc/17/00/61/173170061.db2.gz AXHVTYMPWHMAGI-UHFFFAOYSA-N 0 3 274.242 2.276 40 0 CEABHN CNCC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000037387602 173171177 /nfs/dbraw/zinc/17/11/77/173171177.db2.gz ZMXZIQVZOCJTSR-UHFFFAOYSA-N 0 3 268.360 2.435 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc(Br)c1 ZINC000038100077 174114768 /nfs/dbraw/zinc/11/47/68/174114768.db2.gz OLCAAASHGJIFTE-LBPRGKRZSA-N 0 3 299.212 2.391 40 0 CEABHN NN=c1ccc(-c2ccc(Br)cc2)n[nH]1 ZINC000011567895 414747121 /nfs/dbraw/zinc/74/71/21/414747121.db2.gz DZURZLYXCNAYSM-UHFFFAOYSA-N 0 3 265.114 2.192 40 0 CEABHN CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCN(C)C ZINC000044850177 175265861 /nfs/dbraw/zinc/26/58/61/175265861.db2.gz AWKDQAWIGKGLHI-CQSZACIVSA-N 0 3 278.396 2.139 40 0 CEABHN c1cc([C@H]2CCN(CCOc3ccccc3)C2)n[nH]1 ZINC000072385396 176389971 /nfs/dbraw/zinc/38/99/71/176389971.db2.gz YCTYCXMVGCFEHI-ZDUSSCGKSA-N 0 3 257.337 2.278 40 0 CEABHN CNc1ncccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000072386193 176391749 /nfs/dbraw/zinc/39/17/49/176391749.db2.gz YSNOQJADAJMTBT-LBPRGKRZSA-N 0 3 271.368 2.226 40 0 CEABHN O=C1NCCCC12CCN(Cc1cccs1)CC2 ZINC000072393692 176394594 /nfs/dbraw/zinc/39/45/94/176394594.db2.gz RNSZLCFRLFWSTA-UHFFFAOYSA-N 0 3 264.394 2.240 40 0 CEABHN CC(C)(C)OC(=O)N[C@H]1CNC[C@@H](C(F)(F)F)C1 ZINC000095644262 278444214 /nfs/dbraw/zinc/44/42/14/278444214.db2.gz CUNVTZVWJLBPQS-JGVFFNPUSA-N 0 3 268.279 2.052 40 0 CEABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(CCO)C1 ZINC000079408094 279299574 /nfs/dbraw/zinc/29/95/74/279299574.db2.gz RVHXBXMKCHWOOA-CYBMUJFWSA-N 0 3 286.416 2.089 40 0 CEABHN CCCn1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000121227221 365538158 /nfs/dbraw/zinc/53/81/58/365538158.db2.gz IATGUWSQRPVGLW-CQSZACIVSA-N 0 3 273.384 2.396 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1c(C)noc1C)C2 ZINC000096038987 185069188 /nfs/dbraw/zinc/06/91/88/185069188.db2.gz GZUKRQBPKZRFIF-JKSUJKDBSA-N 0 3 294.395 2.309 40 0 CEABHN CC(C)Oc1ccc(C(=O)NC2CCN(C)CC2)cc1 ZINC000033225921 361774567 /nfs/dbraw/zinc/77/45/67/361774567.db2.gz YISOUOXTIDXBPT-UHFFFAOYSA-N 0 3 276.380 2.298 40 0 CEABHN c1ccc(CN2CC3CN(Cc4ccccn4)CC3C2)nc1 ZINC000096053803 185076245 /nfs/dbraw/zinc/07/62/45/185076245.db2.gz ABABYFMACDZJJH-UHFFFAOYSA-N 0 3 294.402 2.040 40 0 CEABHN CN(C)[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1ccccc1 ZINC000096087475 185093571 /nfs/dbraw/zinc/09/35/71/185093571.db2.gz BESMXBKFDNJEDZ-SJORKVTESA-N 0 3 297.402 2.402 40 0 CEABHN COCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000037553339 361903218 /nfs/dbraw/zinc/90/32/18/361903218.db2.gz LALLIJKTDRNQNL-UHFFFAOYSA-N 0 3 290.407 2.295 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000037807693 361947042 /nfs/dbraw/zinc/94/70/42/361947042.db2.gz KZABVIFVHMDPNI-AWEZNQCLSA-N 0 3 264.344 2.300 40 0 CEABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(C)C3)o2)cc1 ZINC000049170204 362342853 /nfs/dbraw/zinc/34/28/53/362342853.db2.gz BSTUVQIRZYRSCA-LBPRGKRZSA-N 0 3 272.352 2.222 40 0 biogenic,in-vitro CEABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)CC12CC2 ZINC000148842911 344414550 /nfs/dbraw/zinc/41/45/50/344414550.db2.gz JEZLFPHQDRWQJL-AWEZNQCLSA-N 0 3 259.349 2.462 40 0 CEABHN NCc1cn(-c2ccc(Cl)c(C(F)(F)F)c2)nn1 ZINC000050224083 362410682 /nfs/dbraw/zinc/41/06/82/362410682.db2.gz MGVOBLZPZULZAY-UHFFFAOYSA-N 0 3 276.649 2.398 40 0 CEABHN NCc1cc(Cc2ccc(Br)cc2)ncn1 ZINC000409436513 344888720 /nfs/dbraw/zinc/88/87/20/344888720.db2.gz DAJLVSDWDCHFAT-UHFFFAOYSA-N 0 3 278.153 2.289 40 0 CEABHN NC[C@@H](c1ccc(N2CCCCC2)o1)N1CCCC1 ZINC000409442470 344890108 /nfs/dbraw/zinc/89/01/08/344890108.db2.gz VLSKVHBYOFTMND-ZDUSSCGKSA-N 0 3 263.385 2.366 40 0 CEABHN O=C(CN[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2)C1CCCC1 ZINC000584566825 344957513 /nfs/dbraw/zinc/95/75/13/344957513.db2.gz CADVPHBBBWUMRL-GANFFNEQSA-N 0 3 277.408 2.419 40 0 CEABHN COc1ccc([C@H](O)[C@H](NCCO)c2ccccc2)cc1 ZINC000001594034 538736622 /nfs/dbraw/zinc/73/66/22/538736622.db2.gz TZIFCSOXBAJUGV-SJORKVTESA-N 0 3 287.359 2.052 40 0 CEABHN CC(C)CNCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000001671757 361216630 /nfs/dbraw/zinc/21/66/30/361216630.db2.gz HSSDEDWPGLQPSU-UHFFFAOYSA-N 0 3 292.379 2.436 40 0 CEABHN Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)C(C)C)ccc12 ZINC000002521478 361237660 /nfs/dbraw/zinc/23/76/60/361237660.db2.gz WIGTYBCYMMYYGJ-AWEZNQCLSA-N 0 3 274.320 2.023 40 0 CEABHN Cc1cccc2cc(CNC[C@H]3CCCO3)c(=O)[nH]c12 ZINC000004131503 361301399 /nfs/dbraw/zinc/30/13/99/361301399.db2.gz GCYAJNUTJNAIKT-CQSZACIVSA-N 0 3 272.348 2.105 40 0 CEABHN C[C@@H](NCCN[C@@H](C)c1cccnc1)c1cccnc1 ZINC000023478002 361599250 /nfs/dbraw/zinc/59/92/50/361599250.db2.gz VJQJDYZVAVUECB-OKILXGFUSA-N 0 3 270.380 2.478 40 0 CEABHN O=c1ccc2c(n1CC1CC1)CC[C@H](NCc1ccco1)C2 ZINC000096189725 364407601 /nfs/dbraw/zinc/40/76/01/364407601.db2.gz NDAJPNJDNVBJTB-HNNXBMFYSA-N 0 3 298.386 2.498 40 0 CEABHN COc1ccc(-c2ccc3nnc([C@H](N)C(C)C)n3n2)cc1 ZINC000217565466 370198815 /nfs/dbraw/zinc/19/88/15/370198815.db2.gz WAJWOSLIOBLJNV-OAHLLOKOSA-N 0 3 297.362 2.456 40 0 CEABHN c1coc(Cc2ccc(CNC[C@H]3CCCO3)[nH]2)c1 ZINC000226021139 370327257 /nfs/dbraw/zinc/32/72/57/370327257.db2.gz BANVPACIIQLRJV-OAHLLOKOSA-N 0 3 260.337 2.467 40 0 CEABHN CCN1CC[C@]2(c3ccccc3)CCN(C(C)=O)C[C@@H]12 ZINC000247898979 371145022 /nfs/dbraw/zinc/14/50/22/371145022.db2.gz ADFKGDUQBPZDFV-IAGOWNOFSA-N 0 3 272.392 2.271 40 0 CEABHN CNc1cc(C)nc([C@@H]2CN(c3ccnc(C)n3)CCO2)c1 ZINC000257241778 371610788 /nfs/dbraw/zinc/61/07/88/371610788.db2.gz HZOGDGDBZVPGOA-HNNXBMFYSA-N 0 3 299.378 2.108 40 0 CEABHN Cc1nc(C(=O)N2CCC[C@@]3(C)[C@H]2CCCN3C)co1 ZINC000257312907 371612571 /nfs/dbraw/zinc/61/25/71/371612571.db2.gz UQDPUBPNNQPNCW-HIFRSBDPSA-N 0 3 277.368 2.072 40 0 CEABHN Cc1nccn1C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000257243797 190018544 /nfs/dbraw/zinc/01/85/44/190018544.db2.gz IIOPGNQRTGIAJS-MRXNPFEDSA-N 0 3 270.380 2.499 40 0 CEABHN Cn1cccc1CN1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257250980 190020107 /nfs/dbraw/zinc/02/01/07/190020107.db2.gz JOVDRASFPWWZDJ-ZDUSSCGKSA-N 0 3 258.369 2.203 40 0 CEABHN c1cn2c(n1)nccc2[C@H]1CCN(Cc2cccnc2)C1 ZINC000257276848 190025609 /nfs/dbraw/zinc/02/56/09/190025609.db2.gz NVJLWZFDALSBOM-AWEZNQCLSA-N 0 3 279.347 2.114 40 0 CEABHN COc1cccc(OC)c1CN1CC[C@H](c2cc[nH]n2)C1 ZINC000257283653 190026370 /nfs/dbraw/zinc/02/63/70/190026370.db2.gz OZFPERYVYYLLSH-LBPRGKRZSA-N 0 3 287.363 2.416 40 0 CEABHN CN(C)c1cc([C@H]2CCCN(Cc3cnn(C)c3)C2)ccn1 ZINC000257314576 190032884 /nfs/dbraw/zinc/03/28/84/190032884.db2.gz UXOOSTUIZGVYKV-INIZCTEOSA-N 0 3 299.422 2.261 40 0 CEABHN C[C@H](NC[C@@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306084 377564425 /nfs/dbraw/zinc/56/44/25/377564425.db2.gz JLIHSZZEZPONLG-FZMZJTMJSA-N 0 3 251.374 2.012 40 0 CEABHN CC(CO)(CO)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000005963451 170163484 /nfs/dbraw/zinc/16/34/84/170163484.db2.gz JLJUETCGWJORJT-QGZVFWFLSA-N 0 3 285.387 2.303 40 0 CEABHN CNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000008663975 170344886 /nfs/dbraw/zinc/34/48/86/170344886.db2.gz WIXWFUFLGBEEFY-YHWZYXNKSA-N 0 3 293.436 2.259 40 0 CEABHN CCN(Cc1ccc(OC)cc1)C(=O)[C@@H](N)C(C)C ZINC000037815899 173764709 /nfs/dbraw/zinc/76/47/09/173764709.db2.gz BUDOGGQNYZWYDX-AWEZNQCLSA-N 0 3 264.369 2.027 40 0 CEABHN Cc1ccc(CSCC(=O)NC2CCN(C)CC2)cc1 ZINC000047837429 175414718 /nfs/dbraw/zinc/41/47/18/175414718.db2.gz BSVRPVZLXPROAI-UHFFFAOYSA-N 0 3 292.448 2.439 40 0 CEABHN c1cc([C@@H]2CCN(CCOc3ccccc3)C2)n[nH]1 ZINC000072385397 176389715 /nfs/dbraw/zinc/38/97/15/176389715.db2.gz YCTYCXMVGCFEHI-CYBMUJFWSA-N 0 3 257.337 2.278 40 0 CEABHN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN ZINC000076671727 177053808 /nfs/dbraw/zinc/05/38/08/177053808.db2.gz ZXYCYIKSJOITDB-UHFFFAOYSA-N 0 3 261.152 2.301 40 0 CEABHN Cc1cc(C)nc(NCCNCc2ccc(F)cc2)n1 ZINC000062717853 262304007 /nfs/dbraw/zinc/30/40/07/262304007.db2.gz NRVLBPWEEJSUJN-UHFFFAOYSA-N 0 3 274.343 2.434 40 0 CEABHN CCN1CCC[C@H]1CNc1cc(Cl)nc(C)n1 ZINC000052835979 521659035 /nfs/dbraw/zinc/65/90/35/521659035.db2.gz OLQNRDUNSFETGB-JTQLQIEISA-N 0 3 254.765 2.335 40 0 CEABHN C[C@H]1C[C@H]2CN(Cc3ccc4c(c3)OCO4)CC[C@@H]2O1 ZINC000096045895 185071771 /nfs/dbraw/zinc/07/17/71/185071771.db2.gz MNAWBLXHYPBYCP-UBHSHLNASA-N 0 3 275.348 2.415 40 0 CEABHN CCN1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1 ZINC000096049598 185073044 /nfs/dbraw/zinc/07/30/44/185073044.db2.gz WVUBZOQEFIPAAZ-KRWDZBQOSA-N 0 3 289.423 2.016 40 0 CEABHN c1cn([C@@H]2CO[C@@]3(C2)CCCN(Cc2ccncc2)C3)cn1 ZINC000096048567 185073400 /nfs/dbraw/zinc/07/34/00/185073400.db2.gz QDQCLGDBADXANC-DLBZAZTESA-N 0 3 298.390 2.274 40 0 CEABHN Cc1ccc(CN2CCC3(CCCC(=O)N3)CC2)o1 ZINC000096047387 185073457 /nfs/dbraw/zinc/07/34/57/185073457.db2.gz SABLKHMIDMQDNT-UHFFFAOYSA-N 0 3 262.353 2.223 40 0 CEABHN c1cn([C@@H]2CO[C@]3(C2)CCCN(Cc2ccncc2)C3)cn1 ZINC000096048566 185073587 /nfs/dbraw/zinc/07/35/87/185073587.db2.gz QDQCLGDBADXANC-IRXDYDNUSA-N 0 3 298.390 2.274 40 0 CEABHN CCN1C(=O)CC[C@@]12CCCN(Cc1cccnc1)CC2 ZINC000096047506 185073667 /nfs/dbraw/zinc/07/36/67/185073667.db2.gz GHGNXBRVRWHBFS-QGZVFWFLSA-N 0 3 287.407 2.449 40 0 CEABHN CC[C@@H]1N(Cc2ccncc2)CCC[C@]12CCC(=O)N2 ZINC000096052399 185074142 /nfs/dbraw/zinc/07/41/42/185074142.db2.gz AGWUGOMDSNSGNR-HOCLYGCPSA-N 0 3 273.380 2.105 40 0 CEABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccccn1)C2 ZINC000096056806 185077417 /nfs/dbraw/zinc/07/74/17/185077417.db2.gz BSKDQECSJKCUNS-DLBZAZTESA-N 0 3 290.407 2.489 40 0 CEABHN CO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096107179 185099767 /nfs/dbraw/zinc/09/97/67/185099767.db2.gz KCHYSWAQCJBRHZ-CABCVRRESA-N 0 3 265.353 2.358 40 0 CEABHN C[C@@H](CNCc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000047219072 362201864 /nfs/dbraw/zinc/20/18/64/362201864.db2.gz GKKVXSVJILGWTC-NSHDSACASA-N 0 3 293.363 2.483 40 0 CEABHN CCn1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000585181413 345009145 /nfs/dbraw/zinc/00/91/45/345009145.db2.gz ISCUSGFWRFSICN-ZDUSSCGKSA-N 0 3 273.384 2.232 40 0 CEABHN CO[C@H]1CN(Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277624 345009906 /nfs/dbraw/zinc/00/99/06/345009906.db2.gz JOBZZAVKCRDLNN-WBVHZDCISA-N 0 3 285.391 2.489 40 0 CEABHN CCNCc1cc2c(cc1Br)OCCO2 ZINC000070187047 363049941 /nfs/dbraw/zinc/04/99/41/363049941.db2.gz MQXWONUKCVFWKS-UHFFFAOYSA-N 0 3 272.142 2.330 40 0 CEABHN CC(C)N(CCO)Cc1ccnc(Br)c1 ZINC000079421551 363598333 /nfs/dbraw/zinc/59/83/33/363598333.db2.gz XCAIBBFRQINZBZ-UHFFFAOYSA-N 0 3 273.174 2.047 40 0 CEABHN CCN(Cc1ccccc1F)C(=O)[C@@H](N)C(C)C ZINC000079420611 363599025 /nfs/dbraw/zinc/59/90/25/363599025.db2.gz MTRTUDPKTKCABK-ZDUSSCGKSA-N 0 3 252.333 2.158 40 0 CEABHN NCC(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420246 363598613 /nfs/dbraw/zinc/59/86/13/363598613.db2.gz RQBJMFMMHVVFBQ-UHFFFAOYSA-N 0 3 273.163 2.443 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1ccccn1 ZINC000079421842 363598630 /nfs/dbraw/zinc/59/86/30/363598630.db2.gz AYHYSKOUAFZWKZ-JSGCOSHPSA-N 0 3 263.385 2.363 40 0 CEABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)OC)cc1 ZINC000001634160 361212555 /nfs/dbraw/zinc/21/25/55/361212555.db2.gz PMVXNOWUYZAOLP-UHFFFAOYSA-N 0 3 294.351 2.364 40 0 CEABHN NC[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000019861943 361562711 /nfs/dbraw/zinc/56/27/11/361562711.db2.gz BXAAYLWVMFJKKN-LBPRGKRZSA-N 0 3 275.179 2.325 40 0 CEABHN COc1ccc(OC[C@@H](O)CNCc2ccccc2)cc1 ZINC000026896776 361647378 /nfs/dbraw/zinc/64/73/78/361647378.db2.gz URVZVBJFESVFCG-HNNXBMFYSA-N 0 3 287.359 2.225 40 0 CEABHN CCN1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244283 364415746 /nfs/dbraw/zinc/41/57/46/364415746.db2.gz DUUDUSBRGORMPC-KRWDZBQOSA-N 0 3 296.374 2.032 40 0 CEABHN O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1c1ccccn1 ZINC000096239154 364416211 /nfs/dbraw/zinc/41/62/11/364416211.db2.gz OWOXVTQZNHAIBM-QGZVFWFLSA-N 0 3 297.358 2.304 40 0 CEABHN CN1CCc2c(c(COc3ccccn3)nn2CC2CC2)C1 ZINC000096259833 364418594 /nfs/dbraw/zinc/41/85/94/364418594.db2.gz WAQCRUKMJZMDGK-UHFFFAOYSA-N 0 3 298.390 2.255 40 0 CEABHN COc1ccc(CCNCc2c(C)cnn2C)cc1OC ZINC000256055110 190005801 /nfs/dbraw/zinc/00/58/01/190005801.db2.gz ZGHFIWYCTWZGMD-UHFFFAOYSA-N 0 3 289.379 2.078 40 0 CEABHN c1ncc(CN2CCC[C@H](Cc3cccnc3)C2)[nH]1 ZINC000257264899 190022929 /nfs/dbraw/zinc/02/29/29/190022929.db2.gz LWKZPFDMFMDUJR-CQSZACIVSA-N 0 3 256.353 2.259 40 0 CEABHN Cc1nc[nH]c1CN1CC[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257259966 190022116 /nfs/dbraw/zinc/02/21/16/190022116.db2.gz LAULCXXCYZCAKI-CQSZACIVSA-N 0 3 299.422 2.477 40 0 CEABHN Cc1cnccc1CN1CC[C@@H]2[C@@H](C1)CCCC(=O)N2C ZINC000257315514 190032518 /nfs/dbraw/zinc/03/25/18/190032518.db2.gz VBTFNZBAGDUZJZ-HZPDHXFCSA-N 0 3 287.407 2.223 40 0 CEABHN O=C(Nc1cccc(Cl)c1)C1=NO[C@]2(C1)CCCNC2 ZINC000306127183 376540934 /nfs/dbraw/zinc/54/09/34/376540934.db2.gz FRCDLFWAQNTLER-AWEZNQCLSA-N 0 3 293.754 2.177 40 0 CEABHN CN1CC[C@@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@@H]12 ZINC000306140031 376541418 /nfs/dbraw/zinc/54/14/18/376541418.db2.gz UHTREDXJIPCEJL-AEFFLSMTSA-N 0 3 299.418 2.206 40 0 CEABHN CC(C)N1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216222 394593297 /nfs/dbraw/zinc/59/32/97/394593297.db2.gz SJRBXFIGOABRLX-HNNXBMFYSA-N 0 3 275.396 2.464 40 0 CEABHN CCN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216178 394593422 /nfs/dbraw/zinc/59/34/22/394593422.db2.gz QHNAMJQGCIHUHM-OAHLLOKOSA-N 0 3 275.396 2.465 40 0 CEABHN CCCN1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216583 394593493 /nfs/dbraw/zinc/59/34/93/394593493.db2.gz CTMNVLLKNHPFBN-MRXNPFEDSA-N 0 3 288.439 2.380 40 0 CEABHN CC[C@H](O)c1ccc(N2CCN(C(C)C)CC2)nc1 ZINC000072225612 394595333 /nfs/dbraw/zinc/59/53/33/394595333.db2.gz NMNZCUYURZLUPZ-AWEZNQCLSA-N 0 3 263.385 2.055 40 0 CEABHN CC(C)N1CCC[C@H]1c1cnc(-c2ccnn2C)cn1 ZINC000257205892 400317321 /nfs/dbraw/zinc/31/73/21/400317321.db2.gz BAZLQWTWEDRHOI-HNNXBMFYSA-N 0 3 271.368 2.422 40 0 CEABHN CCOc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022166641 171366272 /nfs/dbraw/zinc/36/62/72/171366272.db2.gz KZMZFCSIRMTEJX-XEZPLFJOSA-N 0 3 278.396 2.194 40 0 CEABHN CC(C)Oc1ccc2nc(N3CCNCC3)sc2c1 ZINC000072209857 176342757 /nfs/dbraw/zinc/34/27/57/176342757.db2.gz JLQMYTROQGNFOJ-UHFFFAOYSA-N 0 3 277.393 2.493 40 0 CEABHN Nc1ncc(-c2ccccc2)c([C@@H]2CCCCN2CCO)n1 ZINC000072354570 176374818 /nfs/dbraw/zinc/37/48/18/176374818.db2.gz DJYSVJGZYVLTEV-HNNXBMFYSA-N 0 3 298.390 2.245 40 0 CEABHN Cc1c[nH]nc1C1CCN(Cc2ccncc2)CC1 ZINC000072363777 176378423 /nfs/dbraw/zinc/37/84/23/176378423.db2.gz CLBOJGCABLLOTO-UHFFFAOYSA-N 0 3 256.353 2.493 40 0 CEABHN C[C@@H]1CCc2c(sc3ncnc(N4CCNCC4)c23)C1 ZINC000013998632 274320595 /nfs/dbraw/zinc/32/05/95/274320595.db2.gz MSQUXTRYROOXEG-SNVBAGLBSA-N 0 3 288.420 2.226 40 0 CEABHN O=C1CC2(CN1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000075012226 280248960 /nfs/dbraw/zinc/24/89/60/280248960.db2.gz LVINYXDBLNAYEQ-UHFFFAOYSA-N 0 3 278.783 2.442 40 0 CEABHN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C1CCC1)C2 ZINC000096111902 290320819 /nfs/dbraw/zinc/32/08/19/290320819.db2.gz FITWSLKYNCCIQN-JSGCOSHPSA-N 0 3 272.348 2.037 40 0 biogenic,in-vitro CEABHN COC(=O)[C@H](CN)c1c[nH]c2ccc(Br)cc21 ZINC000027851458 333207696 /nfs/dbraw/zinc/20/76/96/333207696.db2.gz BKJDOBXUPXAYNW-SECBINFHSA-N 0 3 297.152 2.146 40 0 CEABHN O=C1[C@H]2CN(Cc3cccnc3)C[C@@H]2CN1c1ccccc1 ZINC000096053595 185074510 /nfs/dbraw/zinc/07/45/10/185074510.db2.gz OGHHDTIIPQZBSA-WBVHZDCISA-N 0 3 293.370 2.176 40 0 CEABHN COC[C@@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 ZINC000096056725 185077970 /nfs/dbraw/zinc/07/79/70/185077970.db2.gz MUKJZWFPHMTUTQ-HOTGVXAUSA-N 0 3 276.380 2.099 40 0 CEABHN Cc1ncnc2c1CCN(Cc1ccsc1)CC2 ZINC000096058589 282225338 /nfs/dbraw/zinc/22/53/38/282225338.db2.gz YRINONXTHBYRGS-UHFFFAOYSA-N 0 3 259.378 2.447 40 0 CEABHN Cc1nc(C)c(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)s1 ZINC000046882137 362188810 /nfs/dbraw/zinc/18/88/10/362188810.db2.gz RKGHATGFEOVQIO-QWRGUYRKSA-N 0 3 295.452 2.468 40 0 CEABHN OCC(CO)CN(Cc1ccccc1)Cc1ccccc1 ZINC000224986873 344544769 /nfs/dbraw/zinc/54/47/69/344544769.db2.gz XGOTUSPDZPAHSK-UHFFFAOYSA-N 0 3 285.387 2.290 40 0 CEABHN N[C@@H](C[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409440108 344889795 /nfs/dbraw/zinc/88/97/95/344889795.db2.gz JPBIMQFWRADWCT-QWHCGFSZSA-N 0 3 282.771 2.279 40 0 CEABHN C[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000079420597 363599470 /nfs/dbraw/zinc/59/94/70/363599470.db2.gz ZGJWHWBVTNFXHD-VIFPVBQESA-N 0 3 252.745 2.178 40 0 CEABHN COc1cc(C(=O)CC[NH+]2CCCCC2)ccc1[O-] ZINC000001646435 361213637 /nfs/dbraw/zinc/21/36/37/361213637.db2.gz LIWWBRVKSGQBIL-UHFFFAOYSA-N 0 3 263.337 2.460 40 0 CEABHN CCCCn1nc2nc(N3CCNCC3)cc(C)c2c1C ZINC000012398900 361383114 /nfs/dbraw/zinc/38/31/14/361383114.db2.gz SDHYWSWKJMAFIB-UHFFFAOYSA-N 0 3 287.411 2.258 40 0 CEABHN c1cncc(CN2CCC[C@@H](c3[nH]nc4nccnc43)C2)c1 ZINC000019339041 361528393 /nfs/dbraw/zinc/52/83/93/361528393.db2.gz JHSJWLYRGHNTAQ-CYBMUJFWSA-N 0 3 294.362 2.128 40 0 CEABHN CCN(CC)CCNCc1cc(OC)c(OC)cc1OC ZINC000019919168 361567665 /nfs/dbraw/zinc/56/76/65/361567665.db2.gz DFGIPAJXZVQHJQ-UHFFFAOYSA-N 0 3 296.411 2.144 40 0 CEABHN COc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccncc2)cc1 ZINC000096200279 364411286 /nfs/dbraw/zinc/41/12/86/364411286.db2.gz YXODIXGVYCKSIP-ZWKOTPCHSA-N 0 3 298.386 2.268 40 0 CEABHN CC[C@H](Oc1ccccc1)C(=O)NC1CCN(C)CC1 ZINC000113969104 364921503 /nfs/dbraw/zinc/92/15/03/364921503.db2.gz DJNLXIWPTUTYBB-HNNXBMFYSA-N 0 3 276.380 2.054 40 0 CEABHN Cc1ccc(CC(=O)NC2CCN(C)CC2)c(C)c1 ZINC000222721633 370257022 /nfs/dbraw/zinc/25/70/22/370257022.db2.gz WLOYEVGIQJSWSQ-UHFFFAOYSA-N 0 3 260.381 2.056 40 0 CEABHN Cc1ccc(CCC(=O)NC2CCN(C)CC2)cc1C ZINC000224286325 370277749 /nfs/dbraw/zinc/27/77/49/370277749.db2.gz UJSXNBFIGFZPJW-UHFFFAOYSA-N 0 3 274.408 2.446 40 0 CEABHN Cc1c[nH]c([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000257214262 190012816 /nfs/dbraw/zinc/01/28/16/190012816.db2.gz CLHNKVHCOOTQFK-ZDUSSCGKSA-N 0 3 256.353 2.493 40 0 CEABHN CC(C)c1cc(C(=O)N2CC[C@](O)(CN(C)C)C2)cs1 ZINC000257225625 190015532 /nfs/dbraw/zinc/01/55/32/190015532.db2.gz FHAYLLOLWHQMMI-HNNXBMFYSA-N 0 3 296.436 2.010 40 0 CEABHN COc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2O ZINC000257277785 190025357 /nfs/dbraw/zinc/02/53/57/190025357.db2.gz NZJBBGIDJODBDL-INIZCTEOSA-N 0 3 291.391 2.201 40 0 CEABHN CCn1cc(CN2CCC[C@H](c3ccncn3)C2)c(C)n1 ZINC000257290725 190027924 /nfs/dbraw/zinc/02/79/24/190027924.db2.gz QEBPXZUSMXUDMJ-AWEZNQCLSA-N 0 3 285.395 2.381 40 0 CEABHN Cc1cc(C)nc([N-]c2cncc([C@H]3CCC[NH2+]C3)n2)n1 ZINC000257329736 190034947 /nfs/dbraw/zinc/03/49/47/190034947.db2.gz XLHSYRGVOKBHAK-LBPRGKRZSA-N 0 3 284.367 2.094 40 0 CEABHN Cc1nc(Nc2nccs2)cc([C@H]2CCN(C)C2)n1 ZINC000257326439 190035072 /nfs/dbraw/zinc/03/50/72/190035072.db2.gz WXFQOWZEHGEQRD-JTQLQIEISA-N 0 3 275.381 2.404 40 0 CEABHN Cc1cc(-c2nccn2C)nc(CC2CCN(C)CC2)n1 ZINC000257344123 190037543 /nfs/dbraw/zinc/03/75/43/190037543.db2.gz ZVVCAPPAVZBJLC-UHFFFAOYSA-N 0 3 285.395 2.070 40 0 CEABHN NC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 ZINC000037424724 256725543 /nfs/dbraw/zinc/72/55/43/256725543.db2.gz SRTIZPOTUYBHDX-LBPRGKRZSA-N 0 3 275.179 2.325 40 0 CEABHN O=C(Nc1ccccc1)c1conc1[C@H]1CCCN1 ZINC000072208431 394592350 /nfs/dbraw/zinc/59/23/50/394592350.db2.gz NBGGUVLWNYRDJM-GFCCVEGCSA-N 0 3 257.293 2.351 40 0 CEABHN OCCN(CCO)C(c1ccccc1)c1ccccc1 ZINC000001665767 296544282 /nfs/dbraw/zinc/54/42/82/296544282.db2.gz BNWSNRZEDSKCHO-UHFFFAOYSA-N 0 3 271.360 2.063 40 0 CEABHN CCOc1ccccc1[C@@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022169651 171367185 /nfs/dbraw/zinc/36/71/85/171367185.db2.gz KUHBBCHKJVKJPO-VNHYZAJKSA-N 0 3 278.396 2.194 40 0 CEABHN O=C1CC[C@@H](NCc2cccnc2)[C@H](c2ccccc2F)N1 ZINC000072398314 176396327 /nfs/dbraw/zinc/39/63/27/176396327.db2.gz CMAVTBOYUXXXTR-WBVHZDCISA-N 0 3 299.349 2.330 40 0 CEABHN c1ccc2c(c1)CN[C@@H]1CN(c3cccnc3)C[C@@H]21 ZINC000096088794 275070248 /nfs/dbraw/zinc/07/02/48/275070248.db2.gz ZTURSKMYZPKCHW-JKSUJKDBSA-N 0 3 251.333 2.157 40 0 CEABHN COc1cccc([C@@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)c1 ZINC000095533533 185006013 /nfs/dbraw/zinc/00/60/13/185006013.db2.gz NVNHIOCRCTYVQR-CQSZACIVSA-N 0 3 296.330 2.234 40 0 CEABHN CCn1cc(CN2CCC[C@H](c3cc[nH]n3)C2)cn1 ZINC000121191843 365534079 /nfs/dbraw/zinc/53/40/79/365534079.db2.gz PXDLOQHUFQZOAH-ZDUSSCGKSA-N 0 3 259.357 2.006 40 0 CEABHN COC[C@@]12CCO[C@@H]1CCN(Cc1ccccc1OC)C2 ZINC000096110332 185100593 /nfs/dbraw/zinc/10/05/93/185100593.db2.gz USBAKSFFVGPQAL-SJORKVTESA-N 0 3 291.391 2.323 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccccc1Br ZINC000037798055 361941124 /nfs/dbraw/zinc/94/11/24/361941124.db2.gz PVKZFJJPRUVCRY-LBPRGKRZSA-N 0 3 299.212 2.391 40 0 CEABHN O=C1CCC[C@@H]2[C@@H](CCN2Cc2ccnc3ccccc23)N1 ZINC000019713249 343374933 /nfs/dbraw/zinc/37/49/33/343374933.db2.gz JSSVZFJWZKRMAT-IAGOWNOFSA-N 0 3 295.386 2.478 40 0 CEABHN CSc1ncc(CNCCc2nc3ccccc3[nH]2)cn1 ZINC000062718344 343672393 /nfs/dbraw/zinc/67/23/93/343672393.db2.gz TUCGNWLGKXADFR-UHFFFAOYSA-N 0 3 299.403 2.407 40 0 CEABHN CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000108535373 186222165 /nfs/dbraw/zinc/22/21/65/186222165.db2.gz NJSPWOZGJRDLMX-DOTOQJQBSA-N 0 3 287.407 2.162 40 0 CEABHN CSc1ccc(CN(C(=O)CN)C(C)C)cc1 ZINC000079420516 363598815 /nfs/dbraw/zinc/59/88/15/363598815.db2.gz KUKAQRDMQLWIDW-UHFFFAOYSA-N 0 3 252.383 2.104 40 0 CEABHN CN(C)Cc1ccc(I)cc1 ZINC000016123593 361483169 /nfs/dbraw/zinc/48/31/69/361483169.db2.gz OFXGJTFUMSIQPF-UHFFFAOYSA-N 0 3 261.106 2.353 40 0 CEABHN COc1cccc(C[N@@H+]2CC[C@H](c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000019118475 361520057 /nfs/dbraw/zinc/52/00/57/361520057.db2.gz DJSJTSHPPORLPG-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN COc1cccc(C[N@H+]2CC[C@H](c3nc(C)cc(=O)[n-]3)C2)c1 ZINC000019118475 361520059 /nfs/dbraw/zinc/52/00/59/361520059.db2.gz DJSJTSHPPORLPG-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccc(CN2C[C@H]3CCc4nnc(C)n4[C@H]3C2)cc1 ZINC000019288361 361526495 /nfs/dbraw/zinc/52/64/95/361526495.db2.gz IDRWRHKHLSZTTM-ZBFHGGJFSA-N 0 3 298.390 2.214 40 0 CEABHN CC(C)c1nc(C[C@H]([NH3+])c2ccccc2)cc(=O)[n-]1 ZINC000019453540 361536028 /nfs/dbraw/zinc/53/60/28/361536028.db2.gz FMCRTQXUHRSZMX-ZDUSSCGKSA-N 0 3 257.337 2.136 40 0 CEABHN CCN(CC)CCN[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000022931228 361590133 /nfs/dbraw/zinc/59/01/33/361590133.db2.gz CXSVMOSHBAQULZ-ZNMIVQPWSA-N 0 3 283.460 2.096 40 0 CEABHN Fc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096182365 364406227 /nfs/dbraw/zinc/40/62/27/364406227.db2.gz HKEADEHYYLWZHY-GASCZTMLSA-N 0 3 298.365 2.184 40 0 CEABHN NC(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157599 364403514 /nfs/dbraw/zinc/40/35/14/364403514.db2.gz HPRRYSLZLUYIES-UHFFFAOYSA-N 0 3 291.370 2.192 40 0 CEABHN CN1CCCC[C@@]12CCCN(C(=O)c1cccnc1)C2 ZINC000096217569 364413451 /nfs/dbraw/zinc/41/34/51/364413451.db2.gz NMTDSXGPBCBHBM-INIZCTEOSA-N 0 3 273.380 2.172 40 0 CEABHN c1cncc(CN2CCc3ncnc(C4CC4)c3CC2)c1 ZINC000096255085 364418290 /nfs/dbraw/zinc/41/82/90/364418290.db2.gz XDACXFWHNNJQRU-UHFFFAOYSA-N 0 3 280.375 2.350 40 0 CEABHN CC(C)N1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000248179871 371168600 /nfs/dbraw/zinc/16/86/00/371168600.db2.gz XXWFKWBTPMUWEU-CYBMUJFWSA-N 0 3 264.394 2.429 40 0 CEABHN Cc1cccnc1CN1CCC[C@@H]2[C@H]1CCCC(=O)N2C ZINC000257290691 371611373 /nfs/dbraw/zinc/61/13/73/371611373.db2.gz QDYMXLYHYZEWEQ-HZPDHXFCSA-N 0 3 287.407 2.365 40 0 CEABHN CCCN1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257204150 190011614 /nfs/dbraw/zinc/01/16/14/190011614.db2.gz ATFQIWFUOJTHGA-HNNXBMFYSA-N 0 3 261.369 2.265 40 0 CEABHN CC(C)c1cc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cs1 ZINC000257225626 190015639 /nfs/dbraw/zinc/01/56/39/190015639.db2.gz FHAYLLOLWHQMMI-OAHLLOKOSA-N 0 3 296.436 2.010 40 0 CEABHN COc1ccccc1[C@H]1CNCCN1Cc1ccccn1 ZINC000257228564 190015979 /nfs/dbraw/zinc/01/59/79/190015979.db2.gz FUHXCFVFRCLHTB-MRXNPFEDSA-N 0 3 283.375 2.237 40 0 CEABHN O[C@H]1CN(Cc2ccc3ncccc3c2)CC[C@@]12CCCO2 ZINC000257236199 190017807 /nfs/dbraw/zinc/01/78/07/190017807.db2.gz HBECKHMQRWRIII-ROUUACIJSA-N 0 3 298.386 2.351 40 0 CEABHN Cc1cccnc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C ZINC000257242841 190018459 /nfs/dbraw/zinc/01/84/59/190018459.db2.gz IEKGSJPCNIQOOR-AFIMGQEJSA-N 0 3 299.418 2.477 40 0 CEABHN CCn1cc(-c2cnc([C@H]3CCCN(C)C3)cn2)cn1 ZINC000257331825 190035603 /nfs/dbraw/zinc/03/56/03/190035603.db2.gz XUKPQCADAVDZTB-LBPRGKRZSA-N 0 3 271.368 2.169 40 0 CEABHN O=C1c2ccccc2C(=O)N1[C@H]1CCCN2CCCC[C@@H]12 ZINC000000049578 285021814 /nfs/dbraw/zinc/02/18/14/285021814.db2.gz KNEGFGGZBIDYHX-GJZGRUSLSA-N 0 3 284.359 2.300 40 0 CEABHN CNC(=O)C[C@@H]1CC2(CCN(C)CC2)Oc2ccccc21 ZINC000096242923 256830838 /nfs/dbraw/zinc/83/08/38/256830838.db2.gz WDRBUNRMQXHZCZ-CYBMUJFWSA-N 0 3 288.391 2.153 40 0 CEABHN CN1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216237 394593237 /nfs/dbraw/zinc/59/32/37/394593237.db2.gz SFHHAQJPVLWVON-AWEZNQCLSA-N 0 3 261.369 2.075 40 0 CEABHN CC[C@@H](O)c1ccc(N2CCN(C(C)C)CC2)nc1C ZINC000072224753 394594556 /nfs/dbraw/zinc/59/45/56/394594556.db2.gz FDNAWFAXWDXDKY-OAHLLOKOSA-N 0 3 277.412 2.364 40 0 CEABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(C)C1 ZINC000072352550 394598505 /nfs/dbraw/zinc/59/85/05/394598505.db2.gz VVAKWBLADKTCFQ-JTQLQIEISA-N 0 3 289.404 2.417 40 0 CEABHN CCN(CC)[C@@H](CN)c1cc(OC)ccc1OC ZINC000038827611 174156552 /nfs/dbraw/zinc/15/65/52/174156552.db2.gz XIUMYHQBPVYCLZ-ZDUSSCGKSA-N 0 3 252.358 2.045 40 0 CEABHN CC(C)[C@H](N)C(=O)N(Cc1ccsc1)C1CC1 ZINC000040492037 174292965 /nfs/dbraw/zinc/29/29/65/174292965.db2.gz FKGNHSRLHZCJRG-LBPRGKRZSA-N 0 3 252.383 2.222 40 0 CEABHN CC[C@H](Oc1cccc(C)c1C)C(=O)NCCN(C)C ZINC000044850173 175265838 /nfs/dbraw/zinc/26/58/38/175265838.db2.gz AWKDQAWIGKGLHI-AWEZNQCLSA-N 0 3 278.396 2.139 40 0 CEABHN CN1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000072386720 176392187 /nfs/dbraw/zinc/39/21/87/176392187.db2.gz HHOHHEHXGTZZMR-LBPRGKRZSA-N 0 3 255.325 2.382 40 0 CEABHN CN1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000072386719 176392300 /nfs/dbraw/zinc/39/23/00/176392300.db2.gz HHOHHEHXGTZZMR-GFCCVEGCSA-N 0 3 255.325 2.382 40 0 CEABHN COc1ccc2c(CN3CCC[C@H](O)C3)cn(C)c2c1 ZINC000072397836 176395495 /nfs/dbraw/zinc/39/54/95/176395495.db2.gz GNRTYECGJXQSPO-ZDUSSCGKSA-N 0 3 274.364 2.144 40 0 CEABHN COCCn1cc(CN2CCC[C@@H](O)C2)c2ccccc21 ZINC000072397851 176395740 /nfs/dbraw/zinc/39/57/40/176395740.db2.gz YMCMEQQBWNRWFF-OAHLLOKOSA-N 0 3 288.391 2.244 40 0 CEABHN Clc1ccccc1Cc1nsc(N2CCNCC2)n1 ZINC000216641843 419462327 /nfs/dbraw/zinc/46/23/27/419462327.db2.gz BSHCIWIYKTVANB-UHFFFAOYSA-N 0 3 294.811 2.192 40 0 CEABHN CCCNc1ncc(CNC[C@H](O)c2ccccc2)cn1 ZINC000062717699 333176079 /nfs/dbraw/zinc/17/60/79/333176079.db2.gz NSKWXQRUHWQGNI-HNNXBMFYSA-N 0 3 286.379 2.122 40 0 CEABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3)CC2)cc1 ZINC000096047455 185072681 /nfs/dbraw/zinc/07/26/81/185072681.db2.gz FOPGNETWZQZDLY-KRWDZBQOSA-N 0 3 288.391 2.330 40 0 CEABHN CC(C)[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096047900 185073153 /nfs/dbraw/zinc/07/31/53/185073153.db2.gz ZVIYXQBTQKUVQJ-OAHLLOKOSA-N 0 3 277.412 2.447 40 0 CEABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1cccs1)CC2 ZINC000096047933 185073155 /nfs/dbraw/zinc/07/31/55/185073155.db2.gz XYEPWIGOPNCTIG-LBPRGKRZSA-N 0 3 294.420 2.073 40 0 CEABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@@H]2CN1c1ccccc1 ZINC000096053575 185074629 /nfs/dbraw/zinc/07/46/29/185074629.db2.gz UYUUZRNEUPLYLI-ZBFHGGJFSA-N 0 3 282.343 2.374 40 0 CEABHN CO[C@H]1CN(Cc2ccc(C)s2)[C@@H]2CCCO[C@@H]21 ZINC000096057408 185078005 /nfs/dbraw/zinc/07/80/05/185078005.db2.gz NVVTZBKJBZEOGG-RDBSUJKOSA-N 0 3 267.394 2.435 40 0 CEABHN Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)nn1 ZINC000096064061 185084775 /nfs/dbraw/zinc/08/47/75/185084775.db2.gz GCYODMMXAMATDJ-CVEARBPZSA-N 0 3 295.390 2.033 40 0 CEABHN C[C@H]1CN([C@@H](CN)c2ccc(F)cc2F)C[C@H](C)O1 ZINC000036879568 361866726 /nfs/dbraw/zinc/86/67/26/361866726.db2.gz FRPCNYBXDUFELS-BHDSKKPTSA-N 0 3 270.323 2.074 40 0 CEABHN NCc1cc(-c2ccccc2Br)ncn1 ZINC000096948649 185137576 /nfs/dbraw/zinc/13/75/76/185137576.db2.gz CYVMEAOIYGCDQW-UHFFFAOYSA-N 0 3 264.126 2.365 40 0 CEABHN C[C@H](CNCc1ccncc1)C(=O)OC(C)(C)C ZINC000047219067 362201769 /nfs/dbraw/zinc/20/17/69/362201769.db2.gz ZONNEQCMMBVWDY-LLVKDONJSA-N 0 3 250.342 2.149 40 0 CEABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccsc1)C2 ZINC000108531899 186221762 /nfs/dbraw/zinc/22/17/62/186221762.db2.gz PCOOAHQOSIDBAW-UKRRQHHQSA-N 0 3 278.421 2.486 40 0 CEABHN CN(C)c1nc2ccccc2cc1CN1CCC[C@H](O)C1 ZINC000072397804 363133031 /nfs/dbraw/zinc/13/30/31/363133031.db2.gz ONMVZLKPZWGFPT-HNNXBMFYSA-N 0 3 285.391 2.258 40 0 CEABHN CC(=O)Nc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000074921033 363418903 /nfs/dbraw/zinc/41/89/03/363418903.db2.gz KTCQCTCRTQJHCL-UHFFFAOYSA-N 0 3 289.379 2.315 40 0 CEABHN CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CC(=O)[O-])C1 ZINC000079416106 363598490 /nfs/dbraw/zinc/59/84/90/363598490.db2.gz WOFLSSMFJFPPCE-MRXNPFEDSA-N 0 3 290.407 2.305 40 0 CEABHN CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(CC(=O)[O-])C1 ZINC000079416106 363598496 /nfs/dbraw/zinc/59/84/96/363598496.db2.gz WOFLSSMFJFPPCE-MRXNPFEDSA-N 0 3 290.407 2.305 40 0 CEABHN Cn1c(N)ncc1-c1cccc(Br)c1 ZINC000000873782 361194078 /nfs/dbraw/zinc/19/40/78/361194078.db2.gz UTOZQKIXUBJDOQ-UHFFFAOYSA-N 0 3 252.115 2.432 40 0 CEABHN COc1ccc([C@@H](N)CNC(=O)OC(C)(C)C)cc1 ZINC000012357103 361378798 /nfs/dbraw/zinc/37/87/98/361378798.db2.gz KDPRBIGJWBCZKK-LBPRGKRZSA-N 0 3 266.341 2.220 40 0 CEABHN CCCn1cc2c(n1)nc(N1CCNCC1)cc2C(F)F ZINC000012398904 361382335 /nfs/dbraw/zinc/38/23/35/361382335.db2.gz IYIYAFWCXZWBCF-UHFFFAOYSA-N 0 3 295.337 2.189 40 0 CEABHN c1cncc(CN2CCC[C@H](c3[nH]nc4nccnc43)C2)c1 ZINC000019339045 361527679 /nfs/dbraw/zinc/52/76/79/361527679.db2.gz JHSJWLYRGHNTAQ-ZDUSSCGKSA-N 0 3 294.362 2.128 40 0 CEABHN Cc1cc(C)cc(CN2CCC3(CCNC3=O)CC2)c1 ZINC000096157706 364402788 /nfs/dbraw/zinc/40/27/88/364402788.db2.gz YMAJYTPOOJDEIN-UHFFFAOYSA-N 0 3 272.392 2.406 40 0 CEABHN CO[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200053 364408705 /nfs/dbraw/zinc/40/87/05/364408705.db2.gz NCUFDGSMLJRIFD-DLBZAZTESA-N 0 3 285.391 2.252 40 0 CEABHN CCO[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096158731 364403573 /nfs/dbraw/zinc/40/35/73/364403573.db2.gz XAJTUADEZBHDJL-OAHLLOKOSA-N 0 3 276.380 2.242 40 0 CEABHN CN1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1ccccc1)O2 ZINC000096207694 364410153 /nfs/dbraw/zinc/41/01/53/364410153.db2.gz DNJQBMXPRMQFSS-DOTOQJQBSA-N 0 3 288.391 2.060 40 0 CEABHN Cc1ncnc2c1CCN(Cc1cccs1)CC2 ZINC000096254944 364419157 /nfs/dbraw/zinc/41/91/57/364419157.db2.gz XFMXEHOLUAITPR-UHFFFAOYSA-N 0 3 259.378 2.447 40 0 CEABHN Cn1cc(-c2cccc(Br)c2)nc1N ZINC000199560182 370149251 /nfs/dbraw/zinc/14/92/51/370149251.db2.gz UZIJTMWAZKCRDM-UHFFFAOYSA-N 0 3 252.115 2.432 40 0 CEABHN CCn1nc(N)cc1CN(CC(C)C)CC(C)C ZINC000408716179 375516691 /nfs/dbraw/zinc/51/66/91/375516691.db2.gz JPXNIPFVCFEBQC-UHFFFAOYSA-N 0 3 252.406 2.430 40 0 CEABHN CC(C)Cn1cc(CNCCCOC(C)C)cn1 ZINC000256052149 190004499 /nfs/dbraw/zinc/00/44/99/190004499.db2.gz MBRFKZPLZBECSJ-UHFFFAOYSA-N 0 3 253.390 2.444 40 0 CEABHN COc1ccccc1[C@@H]1CNCCN1Cc1cscn1 ZINC000257226988 190015519 /nfs/dbraw/zinc/01/55/19/190015519.db2.gz FNCZINOHHLBTEF-AWEZNQCLSA-N 0 3 289.404 2.298 40 0 CEABHN CN(C)Cc1cncc([C@@H]2CCCN2CC2CC2)n1 ZINC000257262424 190021995 /nfs/dbraw/zinc/02/19/95/190021995.db2.gz LLIRCDJYKSUIDU-HNNXBMFYSA-N 0 3 260.385 2.085 40 0 CEABHN CC(=O)NCc1cc([C@@H]2CCCN2C(C)C)ccn1 ZINC000257284343 190026437 /nfs/dbraw/zinc/02/64/37/190026437.db2.gz PCHGPFRHCHSVDU-HNNXBMFYSA-N 0 3 261.369 2.263 40 0 CEABHN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCn1ccnc1 ZINC000257298566 190029053 /nfs/dbraw/zinc/02/90/53/190029053.db2.gz RMHMHABSABIOAM-CYBMUJFWSA-N 0 3 287.367 2.059 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3ccn(C)n3)C2)c1 ZINC000257333509 190035871 /nfs/dbraw/zinc/03/58/71/190035871.db2.gz YBVXOPFHYGEFQW-ZDUSSCGKSA-N 0 3 285.395 2.155 40 0 CEABHN CN1Cc2cccn2[C@H](COCc2ccncc2)C1 ZINC000306131538 376540230 /nfs/dbraw/zinc/54/02/30/376540230.db2.gz KICUCZIDYQLQGS-HNNXBMFYSA-N 0 3 257.337 2.086 40 0 CEABHN Cc1c(CN)cnc2cc(OCc3ccccc3)nn21 ZINC000225725769 256700194 /nfs/dbraw/zinc/70/01/94/256700194.db2.gz VVOGKIBNBGWIHS-UHFFFAOYSA-N 0 3 268.320 2.075 40 0 CEABHN NN=c1nc[nH]c(-c2ccccc2)c1Br ZINC000071256293 394587932 /nfs/dbraw/zinc/58/79/32/394587932.db2.gz HHGQVLSAPPQSEB-UHFFFAOYSA-N 0 3 265.114 2.192 40 0 CEABHN CCN(CC)CCOC(=O)c1ccc(OC)cc1 ZINC000002038683 169770716 /nfs/dbraw/zinc/77/07/16/169770716.db2.gz VGAMYYRDFQHTBS-UHFFFAOYSA-N 0 3 251.326 2.194 40 0 CEABHN CN(C)CCC(=O)c1ccc2c(c1)OCCCCO2 ZINC000005677743 170127813 /nfs/dbraw/zinc/12/78/13/170127813.db2.gz BGZZODUZSHMIFC-UHFFFAOYSA-N 0 3 263.337 2.372 40 0 CEABHN COCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007539287 170290092 /nfs/dbraw/zinc/29/00/92/170290092.db2.gz LRSMWKGTSWHKMD-UHFFFAOYSA-N 0 3 289.331 2.469 40 0 CEABHN O[C@@H]1C[C@H](C2CCCCC2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000072321633 176368974 /nfs/dbraw/zinc/36/89/74/176368974.db2.gz SMFVVONIUYQRTI-BRSBDYLESA-N 0 3 289.419 2.467 40 0 biogenic,in-vitro CEABHN CNc1cccc([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000072364260 176378754 /nfs/dbraw/zinc/37/87/54/176378754.db2.gz QIYLVHNOCCOPRD-CQSZACIVSA-N 0 3 285.395 2.236 40 0 CEABHN O=C(Nc1ccccc1F)c1cncc([C@@H]2CCCN2)n1 ZINC000072365601 176380800 /nfs/dbraw/zinc/38/08/00/176380800.db2.gz OHZKACDZILTWJT-LBPRGKRZSA-N 0 3 286.310 2.293 40 0 CEABHN Cc1ccc(C)c(CC(=O)NC2CCN(C)CC2)c1 ZINC000076426501 177024230 /nfs/dbraw/zinc/02/42/30/177024230.db2.gz XCDIRJKBYKLMAO-UHFFFAOYSA-N 0 3 260.381 2.056 40 0 CEABHN Cc1ccc([C@H](N)c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095534164 185007062 /nfs/dbraw/zinc/00/70/62/185007062.db2.gz HCUJANFHYXUBON-NEPJUHHUSA-N 0 3 258.325 2.013 40 0 CEABHN O=C1C[C@@]2(CCN(Cc3ccoc3)C2)CN1c1ccccn1 ZINC000096050788 185074161 /nfs/dbraw/zinc/07/41/61/185074161.db2.gz UULUUCMSLMACPF-QGZVFWFLSA-N 0 3 297.358 2.304 40 0 CEABHN CCN1CCOCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096074593 185088313 /nfs/dbraw/zinc/08/83/13/185088313.db2.gz WHDOLXDGBKNDDY-UHFFFAOYSA-N 0 3 289.423 2.077 40 0 CEABHN Cn1cc(-c2ccccc2Br)nc1N ZINC000038540772 361986359 /nfs/dbraw/zinc/98/63/59/361986359.db2.gz JQRVXJQRILGDNE-UHFFFAOYSA-N 0 3 252.115 2.432 40 0 CEABHN Cc1cccc(CSCC(=O)NC2CCN(C)CC2)c1 ZINC000047837421 362227498 /nfs/dbraw/zinc/22/74/98/362227498.db2.gz GHRQSOPCEIEZHL-UHFFFAOYSA-N 0 3 292.448 2.439 40 0 CEABHN CCN1CCN[C@H](c2ccc(Br)cc2)C1 ZINC000056894789 362564625 /nfs/dbraw/zinc/56/46/25/362564625.db2.gz XEEGRBYLTRRLJW-LBPRGKRZSA-N 0 3 269.186 2.415 40 0 CEABHN CCNc1ncc(CNCCc2ccccc2F)cn1 ZINC000062717542 362721110 /nfs/dbraw/zinc/72/11/10/362721110.db2.gz PDCJAEOGPFUWKH-UHFFFAOYSA-N 0 3 274.343 2.380 40 0 CEABHN COc1ccccc1CN1CC[C@@]2(CCN(C(C)=O)C2)C1 ZINC000063527620 362768349 /nfs/dbraw/zinc/76/83/49/362768349.db2.gz OOVFTNZHNZQELC-QGZVFWFLSA-N 0 3 288.391 2.140 40 0 CEABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1scnc1C)C2 ZINC000107771332 186189721 /nfs/dbraw/zinc/18/97/21/186189721.db2.gz MPWGFTVATGFOKA-CABCVRRESA-N 0 3 296.436 2.469 40 0 CEABHN COc1ccccc1CN1CCC2(CCC(=O)NC2)CC1 ZINC000108524621 186220556 /nfs/dbraw/zinc/22/05/56/186220556.db2.gz HLTKAYUMLZPYLI-UHFFFAOYSA-N 0 3 288.391 2.187 40 0 CEABHN C=Cn1ncc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1C ZINC000012146535 361374587 /nfs/dbraw/zinc/37/45/87/361374587.db2.gz XKJBIGFPYFIZLS-HZPDHXFCSA-N 0 3 275.396 2.419 40 0 CEABHN C[C@H](C(=O)N(C)Cc1nc2ccccc2[nH]1)N1CCCC1 ZINC000019077440 361519172 /nfs/dbraw/zinc/51/91/72/361519172.db2.gz HEWMVAASTMSSCE-GFCCVEGCSA-N 0 3 286.379 2.006 40 0 CEABHN Cc1nc([C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)cc(=O)[n-]1 ZINC000019285255 361525185 /nfs/dbraw/zinc/52/51/85/361525185.db2.gz QFQXWYAXZGLQQN-CYBMUJFWSA-N 0 3 287.338 2.207 40 0 CEABHN Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)cc(=O)[n-]1 ZINC000019285255 361525190 /nfs/dbraw/zinc/52/51/90/361525190.db2.gz QFQXWYAXZGLQQN-CYBMUJFWSA-N 0 3 287.338 2.207 40 0 CEABHN CN1CCC[C@H](NC(=O)CCCOc2ccccc2F)C1 ZINC000019588509 361544956 /nfs/dbraw/zinc/54/49/56/361544956.db2.gz HJRIFPPCIXSQMB-ZDUSSCGKSA-N 0 3 294.370 2.195 40 0 CEABHN NCc1cncn1Cc1cccc(Br)c1 ZINC000085197428 363832411 /nfs/dbraw/zinc/83/24/11/363832411.db2.gz ZIMGOPJKBGOBGL-UHFFFAOYSA-N 0 3 266.142 2.153 40 0 CEABHN O=c1ccc2c(n1CC1CC1)CC[C@@H](NCc1ccco1)C2 ZINC000096189724 364407493 /nfs/dbraw/zinc/40/74/93/364407493.db2.gz NDAJPNJDNVBJTB-OAHLLOKOSA-N 0 3 298.386 2.498 40 0 CEABHN c1csc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096053983 364400592 /nfs/dbraw/zinc/40/05/92/364400592.db2.gz ANIIWYBBFQLODF-STQMWFEESA-N 0 3 286.404 2.106 40 0 CEABHN CO[C@@H]1COC2(C1)CCN(Cc1scnc1C)CC2 ZINC000096206325 364410060 /nfs/dbraw/zinc/41/00/60/364410060.db2.gz PKMBGXREVZVQFQ-LBPRGKRZSA-N 0 3 282.409 2.221 40 0 CEABHN c1ccc(N2CCC[C@@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 ZINC000096216796 364412043 /nfs/dbraw/zinc/41/20/43/364412043.db2.gz XHXQCHGEJUTSKP-WBVHZDCISA-N 0 3 287.407 2.163 40 0 CEABHN CCc1ncnc2c1CCN(Cc1ccncc1)CC2 ZINC000096255022 364418764 /nfs/dbraw/zinc/41/87/64/364418764.db2.gz RZWCEBVMGUNAPD-UHFFFAOYSA-N 0 3 268.364 2.035 40 0 CEABHN COc1cc([C@H](C)NC(=O)C(C)(C)N)ccc1OC(C)C ZINC000237091890 189863368 /nfs/dbraw/zinc/86/33/68/189863368.db2.gz ZTZDHODVVBLWLQ-NSHDSACASA-N 0 3 294.395 2.397 40 0 CEABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2cnn(C)c2C)C1 ZINC000257201153 190010624 /nfs/dbraw/zinc/01/06/24/190010624.db2.gz AGNOWOWNIJNTCS-AWEZNQCLSA-N 0 3 287.411 2.215 40 0 CEABHN Cc1c[nH]c([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257211445 190012003 /nfs/dbraw/zinc/01/20/03/190012003.db2.gz BYWRYLPVNJFTLE-AWEZNQCLSA-N 0 3 256.353 2.493 40 0 CEABHN CNc1nccnc1C[C@@H]1CCCN(Cc2cccn2C)C1 ZINC000257233160 190016728 /nfs/dbraw/zinc/01/67/28/190016728.db2.gz GOBNKKCHBHQBCW-AWEZNQCLSA-N 0 3 299.422 2.312 40 0 CEABHN CCCn1nccc1-c1cnc(C[C@H]2CCN(C)C2)cn1 ZINC000257221302 190014759 /nfs/dbraw/zinc/01/47/59/190014759.db2.gz DOJMZVLOJYEMNL-CYBMUJFWSA-N 0 3 285.395 2.244 40 0 CEABHN c1ncc(CN2CCC[C@H](c3ccc4c[nH]nc4n3)C2)[nH]1 ZINC000257221438 190014928 /nfs/dbraw/zinc/01/49/28/190014928.db2.gz DPAAJBHTMBUVFJ-LBPRGKRZSA-N 0 3 282.351 2.061 40 0 CEABHN CCn1cc(CN2CCC[C@@H](Cc3n[nH]cc3C)C2)cn1 ZINC000257242982 190018699 /nfs/dbraw/zinc/01/86/99/190018699.db2.gz IFBLANPSVXYIEP-AWEZNQCLSA-N 0 3 287.411 2.389 40 0 CEABHN O[C@H]1CCCOC12CCN(CCOc1ccccc1)CC2 ZINC000257242614 190018738 /nfs/dbraw/zinc/01/87/38/190018738.db2.gz IDIGZMPINRWGRO-INIZCTEOSA-N 0 3 291.391 2.071 40 0 CEABHN Cc1cn(C)c([C@H]2CCCN(Cc3[nH]cnc3C)C2)n1 ZINC000257272262 190024057 /nfs/dbraw/zinc/02/40/57/190024057.db2.gz NBRRDXRGHAQQFD-ZDUSSCGKSA-N 0 3 273.384 2.140 40 0 CEABHN COc1ccc([C@H]2CNCCN2Cc2cc(C)on2)cc1 ZINC000257328920 190034920 /nfs/dbraw/zinc/03/49/20/190034920.db2.gz XHPRBYXGFFJRFX-MRXNPFEDSA-N 0 3 287.363 2.138 40 0 CEABHN Cc1nc(N2CCN(C)CC2)ccc1[C@H](N)c1ccccc1 ZINC000072224656 394594447 /nfs/dbraw/zinc/59/44/47/394594447.db2.gz KBPQFABCQAIEIG-GOSISDBHSA-N 0 3 296.418 2.190 40 0 CEABHN Cc1ccc(C(=O)N2CC[C@]3(CCN3CC3CC3)C2)cn1 ZINC000096076001 394675545 /nfs/dbraw/zinc/67/55/45/394675545.db2.gz SNTCGSQPTBGBHB-KRWDZBQOSA-N 0 3 285.391 2.090 40 0 CEABHN CN(C)CCNc1ncnc2c3ccccc3oc21 ZINC000005535382 170110035 /nfs/dbraw/zinc/11/00/35/170110035.db2.gz ORRMEOJNSUBSLO-UHFFFAOYSA-N 0 3 256.309 2.350 40 0 CEABHN C[C@@H](CN1CCCCC1)N1C(=O)c2ccccc2C1=O ZINC000005559536 170113531 /nfs/dbraw/zinc/11/35/31/170113531.db2.gz QFESKPKJLWCPHZ-LBPRGKRZSA-N 0 3 272.348 2.157 40 0 CEABHN Oc1c(-c2nc3ccccn3c2O)nc2ccccn12 ZINC000006383187 170196881 /nfs/dbraw/zinc/19/68/81/170196881.db2.gz CBKFYNUQXMPITM-UHFFFAOYSA-N 0 3 266.260 2.060 40 0 CEABHN CN1CCC[C@@H](CNC(=S)NC2CCCCC2)C1 ZINC000009876491 170388355 /nfs/dbraw/zinc/38/83/55/170388355.db2.gz BDYLCLLFPJYFFA-LBPRGKRZSA-N 0 3 269.458 2.125 40 0 CEABHN CC(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000046239343 175395232 /nfs/dbraw/zinc/39/52/32/175395232.db2.gz JRURFABZADYSNM-UHFFFAOYSA-N 0 3 260.381 2.207 40 0 CEABHN OCCN1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072367766 176382790 /nfs/dbraw/zinc/38/27/90/176382790.db2.gz CODQHAYKTLHIDW-AWEZNQCLSA-N 0 3 284.363 2.349 40 0 CEABHN CN1CCC(c2ccc(N[C@@H]3CCCOC3)cn2)CC1 ZINC000072386910 176392741 /nfs/dbraw/zinc/39/27/41/176392741.db2.gz KIRRDGXEFCOMCW-OAHLLOKOSA-N 0 3 275.396 2.482 40 0 CEABHN COc1ccccc1CN1CCC2(CCCNC2=O)CC1 ZINC000072393735 176394453 /nfs/dbraw/zinc/39/44/53/176394453.db2.gz VBQHVRKMRQIXAF-UHFFFAOYSA-N 0 3 288.391 2.187 40 0 CEABHN CC(C)[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096047901 275686837 /nfs/dbraw/zinc/68/68/37/275686837.db2.gz ZVIYXQBTQKUVQJ-HNNXBMFYSA-N 0 3 277.412 2.447 40 0 CEABHN Cc1ccc([C@H](N)c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095534162 185006589 /nfs/dbraw/zinc/00/65/89/185006589.db2.gz HCUJANFHYXUBON-RYUDHWBXSA-N 0 3 258.325 2.013 40 0 CEABHN CCN1CCC2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096046735 185071271 /nfs/dbraw/zinc/07/12/71/185071271.db2.gz PYRRXGICIBIUNL-UHFFFAOYSA-N 0 3 262.353 2.114 40 0 CEABHN COCCN1CCC2(C[C@@H](Oc3ccccc3)CO2)CC1 ZINC000096048149 185073635 /nfs/dbraw/zinc/07/36/35/185073635.db2.gz HHEFWCWIKDSFPA-MRXNPFEDSA-N 0 3 291.391 2.335 40 0 CEABHN CCNCc1ccccc1I ZINC000034616021 361791867 /nfs/dbraw/zinc/79/18/67/361791867.db2.gz MUKNTRPGCMWOOF-UHFFFAOYSA-N 0 3 261.106 2.401 40 0 CEABHN CC(C)N(C)Cc1cnc2n1CCN(Cc1ccncc1)C2 ZINC000096061779 185082370 /nfs/dbraw/zinc/08/23/70/185082370.db2.gz NREOCRGAOACIHT-UHFFFAOYSA-N 0 3 299.422 2.134 40 0 CEABHN COc1ccc(CN2CCC[C@]3(C[C@@H](OC)CO3)C2)cc1 ZINC000096107182 185099612 /nfs/dbraw/zinc/09/96/12/185099612.db2.gz RQXYGPPQFBFRSS-SJORKVTESA-N 0 3 291.391 2.465 40 0 CEABHN O=C1c2ccccc2C(=O)N1[C@@H]1CCCN2CCCC[C@H]12 ZINC000005776232 343355246 /nfs/dbraw/zinc/35/52/46/343355246.db2.gz KNEGFGGZBIDYHX-HUUCEWRRSA-N 0 3 284.359 2.300 40 0 CEABHN O=C(Cc1ccc(Cl)cc1)NCCN1CCCCC1 ZINC000010331463 343363781 /nfs/dbraw/zinc/36/37/81/343363781.db2.gz BWPVXRDFVJNHME-UHFFFAOYSA-N 0 3 280.799 2.485 40 0 CEABHN C[C@H](CNCc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000047219073 362201779 /nfs/dbraw/zinc/20/17/79/362201779.db2.gz GKKVXSVJILGWTC-LLVKDONJSA-N 0 3 293.363 2.483 40 0 CEABHN Cc1nnc2n1[C@H]1CN(Cc3ccccc3F)C[C@H]1CC2 ZINC000019288366 282365879 /nfs/dbraw/zinc/36/58/79/282365879.db2.gz VEEFAYMXOGETNA-HIFRSBDPSA-N 0 3 286.354 2.345 40 0 CEABHN COc1cccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)c1 ZINC000079421026 363598367 /nfs/dbraw/zinc/59/83/67/363598367.db2.gz KMVSBUHNAAMFTC-HNNXBMFYSA-N 0 3 278.396 2.416 40 0 CEABHN N[C@H](CC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000001608369 361211049 /nfs/dbraw/zinc/21/10/49/361211049.db2.gz NXDLNLVUCIDRBX-IYBDPMFKSA-N 0 3 296.370 2.187 40 0 CEABHN COc1ccc([C@@H](O)[C@@H](N)c2ccc(OC)cc2)cc1 ZINC000001666001 361214731 /nfs/dbraw/zinc/21/47/31/361214731.db2.gz DUEBHXGFCXXGHK-JKSUJKDBSA-N 0 3 273.332 2.437 40 0 in-vitro CEABHN CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019016244 361519219 /nfs/dbraw/zinc/51/92/19/361519219.db2.gz GGDPFCLYWWZZLX-UHFFFAOYSA-N 0 3 288.391 2.328 40 0 CEABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2cccs2)on1 ZINC000019120685 361521269 /nfs/dbraw/zinc/52/12/69/361521269.db2.gz XOOHJWGFHHOLQG-BXUZGUMPSA-N 0 3 278.377 2.392 40 0 CEABHN Cn1cccc1CN1CC2(C1)CCN(Cc1cccnc1)C2 ZINC000096202501 364411367 /nfs/dbraw/zinc/41/13/67/364411367.db2.gz YWTVOAGYUKTZOQ-UHFFFAOYSA-N 0 3 296.418 2.128 40 0 CEABHN CN(C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccncc1 ZINC000096200987 364411414 /nfs/dbraw/zinc/41/14/14/364411414.db2.gz GTKZRQMOUXFWRD-CVEARBPZSA-N 0 3 299.374 2.062 40 0 CEABHN CCCNC(=O)C1=NO[C@]2(C1)CCCN(CCC(C)C)C2 ZINC000585101208 367177196 /nfs/dbraw/zinc/17/71/96/367177196.db2.gz OBCULYIJHIEIKN-INIZCTEOSA-N 0 3 295.427 2.170 40 0 CEABHN CCC[C@H](C)N1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099695 367177497 /nfs/dbraw/zinc/17/74/97/367177497.db2.gz YMCUZPKWOHVKKM-BBRMVZONSA-N 0 3 288.395 2.094 40 0 CEABHN CON(C)C(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000199551939 370149015 /nfs/dbraw/zinc/14/90/15/370149015.db2.gz AVOGHRVJLFDZNY-UHFFFAOYSA-N 0 3 276.380 2.309 40 0 CEABHN COCCNCc1cccn1-c1cccc(OC)c1 ZINC000223688614 370270472 /nfs/dbraw/zinc/27/04/72/370270472.db2.gz VQQSQMBMDZPKTR-UHFFFAOYSA-N 0 3 260.337 2.222 40 0 CEABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000248121708 371162327 /nfs/dbraw/zinc/16/23/27/371162327.db2.gz KHUQSPQHMNEIHO-SJLPKXTDSA-N 0 3 284.403 2.271 40 0 CEABHN CN(C)C[C@H]1CN(CCc2ccccc2)Cc2ccnn21 ZINC000248152625 371164774 /nfs/dbraw/zinc/16/47/74/371164774.db2.gz YDPISZSPQWZXKR-KRWDZBQOSA-N 0 3 284.407 2.044 40 0 CEABHN O[C@@H]1CCCC[C@@H]1N1CCC(O)(c2ccccc2F)CC1 ZINC000257213686 190013142 /nfs/dbraw/zinc/01/31/42/190013142.db2.gz CIQPYJJYXVEWKF-JKSUJKDBSA-N 0 3 293.382 2.413 40 0 CEABHN CNc1cc(C)nc([C@H]2CCN(Cc3cnn(C)c3)C2)c1 ZINC000257217218 190013778 /nfs/dbraw/zinc/01/37/78/190013778.db2.gz CYBRFAPCIWITOP-AWEZNQCLSA-N 0 3 285.395 2.155 40 0 CEABHN CC(=O)Nc1nc2nc(C3CCN(C)CC3)ccc2s1 ZINC000257218304 190013836 /nfs/dbraw/zinc/01/38/36/190013836.db2.gz DCOYIWWZKXQDGI-UHFFFAOYSA-N 0 3 290.392 2.459 40 0 CEABHN c1csc([N-]c2nccnc2[C@H]2CCC[NH2+]C2)n1 ZINC000257224631 190015489 /nfs/dbraw/zinc/01/54/89/190015489.db2.gz FCQHLEXEHULTQX-VIFPVBQESA-N 0 3 261.354 2.144 40 0 CEABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1cnn(C)c1 ZINC000257241683 190018335 /nfs/dbraw/zinc/01/83/35/190018335.db2.gz HZCXQNHJVWPOKE-CYBMUJFWSA-N 0 3 259.357 2.179 40 0 CEABHN CNc1cc([C@@H]2CCCN(Cc3cncn3C)C2)ccn1 ZINC000257268922 190023932 /nfs/dbraw/zinc/02/39/32/190023932.db2.gz MNUPAMOMPBUFKL-CQSZACIVSA-N 0 3 285.395 2.236 40 0 CEABHN Cc1cccc(CN2CC[C@@H](c3nccc(C)n3)C2)n1 ZINC000257293390 190028789 /nfs/dbraw/zinc/02/87/89/190028789.db2.gz QPGSNILBQSWVDJ-CQSZACIVSA-N 0 3 268.364 2.478 40 0 CEABHN O[C@H]1CCN(Cc2ccc3[nH]ccc3c2)C[C@@]12CCCO2 ZINC000257319236 190033685 /nfs/dbraw/zinc/03/36/85/190033685.db2.gz VRLDNBFWWHVDIE-IRXDYDNUSA-N 0 3 286.375 2.284 40 0 CEABHN Cc1n[nH]cc1CN1CCC(c2ccn3nccc3n2)CC1 ZINC000257319904 190033769 /nfs/dbraw/zinc/03/37/69/190033769.db2.gz VUNXAVOFXDYGHL-UHFFFAOYSA-N 0 3 296.378 2.140 40 0 CEABHN OCC[C@@H]1CNCc2ccc(Br)cc21 ZINC000095868227 285264216 /nfs/dbraw/zinc/26/42/16/285264216.db2.gz MTEXGWZWBPJLGY-SECBINFHSA-N 0 3 256.143 2.018 40 0 CEABHN N[C@@H](Cc1nc(-c2cccnc2)no1)c1ccccc1 ZINC000022152597 171359589 /nfs/dbraw/zinc/35/95/89/171359589.db2.gz FEDNYQGYGUVUNU-ZDUSSCGKSA-N 0 3 266.304 2.374 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000022222156 171378657 /nfs/dbraw/zinc/37/86/57/171378657.db2.gz NLAGDHOLDUBGQI-JTNHKYCSSA-N 0 3 268.788 2.449 40 0 CEABHN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H](C)N ZINC000037808907 173752564 /nfs/dbraw/zinc/75/25/64/173752564.db2.gz MPIDQXVGBYQHOI-JTQLQIEISA-N 0 3 254.761 2.424 40 0 CEABHN CN1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000038920525 174159356 /nfs/dbraw/zinc/15/93/56/174159356.db2.gz CPSVTQHAEPTVPH-QPJJXVBHSA-N 0 3 262.328 2.049 40 0 CEABHN OCCN1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072367767 176382231 /nfs/dbraw/zinc/38/22/31/176382231.db2.gz CODQHAYKTLHIDW-CQSZACIVSA-N 0 3 284.363 2.349 40 0 CEABHN C=Cn1ncc(CN2CC[C@]3(O)CCCC[C@H]3C2)c1C ZINC000257329534 327136684 /nfs/dbraw/zinc/13/66/84/327136684.db2.gz XKJBIGFPYFIZLS-JKSUJKDBSA-N 0 3 275.396 2.419 40 0 CEABHN COc1ccccc1CNCCNc1nc(C)cc(C)n1 ZINC000062717857 333176101 /nfs/dbraw/zinc/17/61/01/333176101.db2.gz HMOXXTCMYMYUNZ-UHFFFAOYSA-N 0 3 286.379 2.304 40 0 CEABHN CO[C@@H]1CN(Cc2sccc2C)[C@@H]2CCCO[C@H]12 ZINC000096042335 185070707 /nfs/dbraw/zinc/07/07/07/185070707.db2.gz DGMFIODLNALDST-BZPMIXESSA-N 0 3 267.394 2.435 40 0 CEABHN O=C1CCCC2(CCN(Cc3cccs3)CC2)N1 ZINC000096047384 185072630 /nfs/dbraw/zinc/07/26/30/185072630.db2.gz MJVYHYSFISPDSF-UHFFFAOYSA-N 0 3 264.394 2.383 40 0 CEABHN O=c1ccc2c(n1CC1CC1)CCN(Cc1ccco1)CC2 ZINC000096059349 185081034 /nfs/dbraw/zinc/08/10/34/185081034.db2.gz RTDGEJQKRXXQGI-UHFFFAOYSA-N 0 3 298.386 2.452 40 0 CEABHN c1csc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746629 186189099 /nfs/dbraw/zinc/18/90/99/186189099.db2.gz NRAXYOAGABLPCC-CABCVRRESA-N 0 3 292.448 2.433 40 0 CEABHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000098092032 538807575 /nfs/dbraw/zinc/80/75/75/538807575.db2.gz MLILEIUKVIPULY-RFAUZJTJSA-N 0 3 288.347 2.413 40 0 CEABHN CC(C)[C@H](N)C(=O)N([C@@H](C)c1ccccn1)C1CC1 ZINC000079421851 363598567 /nfs/dbraw/zinc/59/85/67/363598567.db2.gz FTHVYNIPQBPTRL-FZMZJTMJSA-N 0 3 261.369 2.117 40 0 CEABHN CCN(Cc1c(F)cccc1Cl)C(=O)[C@H](C)N ZINC000079420283 363598593 /nfs/dbraw/zinc/59/85/93/363598593.db2.gz LBBWWGGKAZGFCD-QMMMGPOBSA-N 0 3 258.724 2.175 40 0 CEABHN CC(=O)O[C@H]1CCN(Cc2ccco2)[C@H](C)[C@H]1C ZINC000004127443 361301815 /nfs/dbraw/zinc/30/18/15/361301815.db2.gz HAVUOHMCCLLASZ-GYSYKLTISA-N 0 3 251.326 2.442 40 0 CEABHN COCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010339087 361350277 /nfs/dbraw/zinc/35/02/77/361350277.db2.gz ITHOBBXODSLRDT-UHFFFAOYSA-N 0 3 290.407 2.439 40 0 CEABHN COc1ccccc1C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285275 361527016 /nfs/dbraw/zinc/52/70/16/361527016.db2.gz ZADOTEKMGLFTIQ-CYBMUJFWSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccccc1C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000019285275 361527022 /nfs/dbraw/zinc/52/70/22/361527022.db2.gz ZADOTEKMGLFTIQ-CYBMUJFWSA-N 0 3 299.374 2.076 40 0 CEABHN CC(C)N(Cc1c(F)cccc1Cl)C(=O)CN ZINC000032110777 361728631 /nfs/dbraw/zinc/72/86/31/361728631.db2.gz GJLDLZNKDCULGS-UHFFFAOYSA-N 0 3 258.724 2.175 40 0 CEABHN NCc1ccc(I)c(F)c1F ZINC000098210854 364537893 /nfs/dbraw/zinc/53/78/93/364537893.db2.gz KCMAZZYTFPASNL-UHFFFAOYSA-N 0 3 269.032 2.028 40 0 CEABHN CC(C)(C)OC(=O)N1CCC(CN)(c2ccccn2)CC1 ZINC000098213759 364538215 /nfs/dbraw/zinc/53/82/15/364538215.db2.gz KABABXQNVVZILM-UHFFFAOYSA-N 0 3 291.395 2.309 40 0 CEABHN COC(=O)c1ccc(C)c(NC(=O)C2CCN(C)CC2)c1 ZINC000174398084 368018601 /nfs/dbraw/zinc/01/86/01/368018601.db2.gz JPODNVVGJYLWHC-UHFFFAOYSA-N 0 3 290.363 2.062 40 0 CEABHN CCOC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225647152 370309173 /nfs/dbraw/zinc/30/91/73/370309173.db2.gz BBBCCTRUFWSRGT-UHFFFAOYSA-N 0 3 294.395 2.381 40 0 CEABHN Cc1cccnc1CN1CCCC[C@]2(C)NC(=O)CC[C@H]12 ZINC000257269618 190023869 /nfs/dbraw/zinc/02/38/69/190023869.db2.gz MQRWCCSOSWRVSE-RDJZCZTQSA-N 0 3 287.407 2.413 40 0 CEABHN Cc1ccn(CCNc2ccc([C@@H]3CCCN3C)nc2)n1 ZINC000257335496 190036035 /nfs/dbraw/zinc/03/60/35/190036035.db2.gz YKJQWBSSWOXBLK-INIZCTEOSA-N 0 3 285.395 2.465 40 0 CEABHN Cc1ccn(CCNc2ccc([C@H]3CCCN3C)nc2)n1 ZINC000257335497 190036232 /nfs/dbraw/zinc/03/62/32/190036232.db2.gz YKJQWBSSWOXBLK-MRXNPFEDSA-N 0 3 285.395 2.465 40 0 CEABHN CCN(C[C@@H]1CCCCN1CCO)C(=O)OC(C)(C)C ZINC000079408012 285022233 /nfs/dbraw/zinc/02/22/33/285022233.db2.gz MDVPSSCHAXHKJZ-ZDUSSCGKSA-N 0 3 286.416 2.090 40 0 CEABHN COCC[C@H]1CO[C@]2(C1)CCCN(Cc1ccncc1)C2 ZINC000096089852 394677353 /nfs/dbraw/zinc/67/73/53/394677353.db2.gz HVAHXPKUFJYZSK-SJORKVTESA-N 0 3 290.407 2.489 40 0 CEABHN CN1CCC[C@@H](CNC(=S)Nc2ccccc2)C1 ZINC000009876099 170387969 /nfs/dbraw/zinc/38/79/69/170387969.db2.gz XPCBNUOPRIYXMJ-LBPRGKRZSA-N 0 3 263.410 2.315 40 0 CEABHN Cc1cccc(NC(=O)NC[C@H]2CCCN(C)C2)c1 ZINC000009876668 170388318 /nfs/dbraw/zinc/38/83/18/170388318.db2.gz TYLVPGWQYQRUDW-CYBMUJFWSA-N 0 3 261.369 2.458 40 0 CEABHN COc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000019118461 170752524 /nfs/dbraw/zinc/75/25/24/170752524.db2.gz IRIPJNBZGPCWAX-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN COc1ccc(C[N@H+]2CC[C@H](c3nc(C)cc(=O)[n-]3)C2)cc1 ZINC000019118461 170752526 /nfs/dbraw/zinc/75/25/26/170752526.db2.gz IRIPJNBZGPCWAX-AWEZNQCLSA-N 0 3 299.374 2.076 40 0 CEABHN CCN(CC)CCN[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000022586295 171393209 /nfs/dbraw/zinc/39/32/09/171393209.db2.gz CXSVMOSHBAQULZ-SOUVJXGZSA-N 0 3 283.460 2.096 40 0 CEABHN c1cnc([C@H]2CCCN(Cc3ccncc3)C2)cn1 ZINC000072363788 176378501 /nfs/dbraw/zinc/37/85/01/176378501.db2.gz YVRHPRAEKCXGLO-AWEZNQCLSA-N 0 3 254.337 2.251 40 0 CEABHN CN1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000072364990 176380120 /nfs/dbraw/zinc/38/01/20/176380120.db2.gz JGYJGKZGDZEEGU-CYBMUJFWSA-N 0 3 269.352 2.424 40 0 CEABHN CNc1cncc([C@H]2CCCN2c2ccncc2)n1 ZINC000072380948 176386989 /nfs/dbraw/zinc/38/69/89/176386989.db2.gz PSRNLKRLDJTRGI-CYBMUJFWSA-N 0 3 255.325 2.255 40 0 CEABHN Cc1nc(Nc2ccccn2)cc([C@@H]2CCN(C)C2)n1 ZINC000072382608 176387992 /nfs/dbraw/zinc/38/79/92/176387992.db2.gz GYMYTPWKPQTRFA-GFCCVEGCSA-N 0 3 269.352 2.343 40 0 CEABHN CN1CCC(C(=O)N2CCCc3ccccc32)CC1 ZINC000074713313 273867870 /nfs/dbraw/zinc/86/78/70/273867870.db2.gz RPRVVVFXVSDOPG-UHFFFAOYSA-N 0 3 258.365 2.308 40 0 CEABHN COc1cc2c(cc1OC)[C@H]1CCN3CCC[C@@H]3N1CC2 ZINC000019326991 277395292 /nfs/dbraw/zinc/39/52/92/277395292.db2.gz JBLQTGBNLYFHRP-PBHICJAKSA-N 0 3 288.391 2.429 40 0 CEABHN CC(C)(C)OC(=O)N(C[C@@H]1CCCCN1CCO)C1CC1 ZINC000079408216 278377689 /nfs/dbraw/zinc/37/76/89/278377689.db2.gz OFZATQAUJWWBLP-AWEZNQCLSA-N 0 3 298.427 2.233 40 0 CEABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnco1 ZINC000257267658 290289653 /nfs/dbraw/zinc/28/96/53/290289653.db2.gz MIGOOPDAFOTMIO-ZGMNHVEMSA-N 0 3 289.379 2.152 40 0 CEABHN CN1CCC[C@]2(C1)CN(Cc1ccc(F)cc1)CCO2 ZINC000096049066 185073357 /nfs/dbraw/zinc/07/33/57/185073357.db2.gz CQZBSGHCUGRSDI-INIZCTEOSA-N 0 3 278.371 2.122 40 0 CEABHN O=C1[C@H]2CN(Cc3cccnc3)C[C@H]2CN1c1ccccc1 ZINC000096053594 185073797 /nfs/dbraw/zinc/07/37/97/185073797.db2.gz OGHHDTIIPQZBSA-RDJZCZTQSA-N 0 3 293.370 2.176 40 0 CEABHN COc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)cc1 ZINC000096049946 185074057 /nfs/dbraw/zinc/07/40/57/185074057.db2.gz OUKKDIVLTZNWJP-KRWDZBQOSA-N 0 3 288.391 2.330 40 0 CEABHN O=C1[C@H]2CN(Cc3ccccn3)C[C@@H]2CN1c1ccccc1 ZINC000096053593 185075015 /nfs/dbraw/zinc/07/50/15/185075015.db2.gz CEDUHCXFNALMTE-PBHICJAKSA-N 0 3 293.370 2.176 40 0 CEABHN Fc1cccc(O[C@@H]2C[C@@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055155 185076348 /nfs/dbraw/zinc/07/63/48/185076348.db2.gz NJDAHRFTRCEKOQ-NVXWUHKLSA-N 0 3 290.382 2.373 40 0 CEABHN CCOC[C@H]1CC2(CO1)CCN(Cc1ccncc1)CC2 ZINC000096105873 185098851 /nfs/dbraw/zinc/09/88/51/185098851.db2.gz OXVWVQXLNDYFGT-MRXNPFEDSA-N 0 3 290.407 2.489 40 0 CEABHN Cc1nc[nH]c1CN1CC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257259965 282139600 /nfs/dbraw/zinc/13/96/00/282139600.db2.gz LAULCXXCYZCAKI-AWEZNQCLSA-N 0 3 299.422 2.477 40 0 CEABHN C[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000037807590 361947286 /nfs/dbraw/zinc/94/72/86/361947286.db2.gz WDLITPPPLCJLSX-VIFPVBQESA-N 0 3 252.745 2.178 40 0 CEABHN CN1CCC(NC(=S)Nc2ccc(F)cc2F)CC1 ZINC000013775556 530050525 /nfs/dbraw/zinc/05/05/25/530050525.db2.gz WZFLGOQMYCMKFL-UHFFFAOYSA-N 0 3 285.363 2.345 40 0 CEABHN CC(C)N1CC2(C1)C[C@H](COc1ccccn1)CCN2C ZINC000585103536 345005976 /nfs/dbraw/zinc/00/59/76/345005976.db2.gz XNNLQRPGXNGQML-OAHLLOKOSA-N 0 3 289.423 2.265 40 0 CEABHN COCc1cc(CC2(NC3CCCCC3)COC2)no1 ZINC000067897961 362930002 /nfs/dbraw/zinc/93/00/02/362930002.db2.gz YVPGEYHHDHFBNZ-UHFFFAOYSA-N 0 3 280.368 2.055 40 0 biogenic,in-vitro CEABHN Nc1cccnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000091352097 180137920 /nfs/dbraw/zinc/13/79/20/180137920.db2.gz VCOCTBVOMHSTTI-CQSZACIVSA-N 0 3 268.364 2.350 40 0 CEABHN CN1CCC(C(=O)NCCSCc2ccccc2)CC1 ZINC000072814954 363168060 /nfs/dbraw/zinc/16/80/60/363168060.db2.gz NMFMAHVXARJYNP-UHFFFAOYSA-N 0 3 292.448 2.378 40 0 CEABHN CCOc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000074713366 363375121 /nfs/dbraw/zinc/37/51/21/363375121.db2.gz GMPQDDLJBPLQEG-UHFFFAOYSA-N 0 3 262.353 2.366 40 0 CEABHN CN1CCC(CC(=O)Nc2cccc(F)c2)CC1 ZINC000074921051 363418884 /nfs/dbraw/zinc/41/88/84/363418884.db2.gz NYUCQFAZEYWHBD-UHFFFAOYSA-N 0 3 250.317 2.496 40 0 CEABHN Cc1ccc(C(C)C)c(OCC(=O)NCCN(C)C)c1 ZINC000003624090 361287079 /nfs/dbraw/zinc/28/70/79/361287079.db2.gz JNNVEPVVCFUXLI-UHFFFAOYSA-N 0 3 278.396 2.175 40 0 CEABHN Clc1ccc(Cl)c(OC[C@@H]2CNCCO2)c1 ZINC000011587463 361359959 /nfs/dbraw/zinc/35/99/59/361359959.db2.gz BTZVNANVWQUSLS-VIFPVBQESA-N 0 3 262.136 2.361 40 0 CEABHN Cc1[nH]c2ccc(C)cc2c1CC(=O)N(C)CCN(C)C ZINC000012238185 361376088 /nfs/dbraw/zinc/37/60/88/361376088.db2.gz IEJYQMGPXXCVBP-UHFFFAOYSA-N 0 3 287.407 2.347 40 0 CEABHN [NH3+][C@H](Cc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000019369297 361528440 /nfs/dbraw/zinc/52/84/40/361528440.db2.gz UBRNPMWDPHURMX-CQSZACIVSA-N 0 3 269.348 2.280 40 0 CEABHN Cc1cc(=O)[nH]c([C@H]2CCN(Cc3ccccc3F)C2)n1 ZINC000019118481 361519406 /nfs/dbraw/zinc/51/94/06/361519406.db2.gz XPDDWESROHOWLD-ZDUSSCGKSA-N 0 3 287.338 2.207 40 0 CEABHN COc1cccc(OC[C@H](O)CNCc2ccccc2)c1 ZINC000032139958 361731553 /nfs/dbraw/zinc/73/15/53/361731553.db2.gz PGMSLVAJQOSOTG-OAHLLOKOSA-N 0 3 287.359 2.225 40 0 CEABHN CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccc1 ZINC000096186201 364407586 /nfs/dbraw/zinc/40/75/86/364407586.db2.gz TVWPAEXQDVQYSX-HUUCEWRRSA-N 0 3 258.365 2.272 40 0 CEABHN COCCN1CCC2(C[C@@H](c3cccnc3)CO2)CC1 ZINC000096220287 364414260 /nfs/dbraw/zinc/41/42/60/364414260.db2.gz GLLDGHBACMAJJJ-OAHLLOKOSA-N 0 3 276.380 2.067 40 0 CEABHN CC(C)CN1c2ccccc2[C@]2(CCN(C)C2)C1=O ZINC000096244819 364415873 /nfs/dbraw/zinc/41/58/73/364415873.db2.gz AJZUFCQOSPEPBC-MRXNPFEDSA-N 0 3 258.365 2.263 40 0 CEABHN NCc1cn(Cc2ccccc2C(F)(F)F)cn1 ZINC000098213994 364538164 /nfs/dbraw/zinc/53/81/64/364538164.db2.gz UKPYNOQTLJQFJZ-UHFFFAOYSA-N 0 3 255.243 2.409 40 0 CEABHN O=C1[C@@H]2CN(Cc3ccccn3)C[C@H]2CN1c1ccccc1 ZINC000247704311 371136427 /nfs/dbraw/zinc/13/64/27/371136427.db2.gz CEDUHCXFNALMTE-WMLDXEAASA-N 0 3 293.370 2.176 40 0 CEABHN CCn1cc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257296172 371610371 /nfs/dbraw/zinc/61/03/71/371610371.db2.gz RBNCOCAIPHLJBB-MRXNPFEDSA-N 0 3 299.422 2.399 40 0 CEABHN CCn1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257213471 190013548 /nfs/dbraw/zinc/01/35/48/190013548.db2.gz CHSKOOHPETVVGI-CYBMUJFWSA-N 0 3 273.384 2.314 40 0 CEABHN COc1cccc(CN2CC[C@H](c3cc[nH]n3)C2)c1OC ZINC000257238493 190017564 /nfs/dbraw/zinc/01/75/64/190017564.db2.gz HLFHISNGBQCFRY-LBPRGKRZSA-N 0 3 287.363 2.416 40 0 CEABHN CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000257254627 190020462 /nfs/dbraw/zinc/02/04/62/190020462.db2.gz KEADVBYDPMDLQE-BZUAXINKSA-N 0 3 276.355 2.234 40 0 CEABHN Cc1nc(-c2ccnn2C)cc([C@@H]2CCCCN2)n1 ZINC000257341442 190037368 /nfs/dbraw/zinc/03/73/68/190037368.db2.gz ZKIUKIHBNXSSTH-NSHDSACASA-N 0 3 257.341 2.000 40 0 CEABHN CN1CC[C@]2(c3ccccc3)CCN(C(=O)NC3CC3)C[C@@H]12 ZINC000306140032 376539929 /nfs/dbraw/zinc/53/99/29/376539929.db2.gz UHTREDXJIPCEJL-SJLPKXTDSA-N 0 3 299.418 2.206 40 0 CEABHN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@@H]2CNC[C@H]21 ZINC000306143097 285074726 /nfs/dbraw/zinc/07/47/26/285074726.db2.gz XTHKFOQQZHVBNJ-GXTWGEPZSA-N 0 3 291.397 2.258 40 0 CEABHN CCOC(=O)[C@H]([C@@H](C)N1CCCCC1)N1CCCCC1 ZINC000019366257 394468216 /nfs/dbraw/zinc/46/82/16/394468216.db2.gz IRUSQNAIDMLKBQ-CABCVRRESA-N 0 3 282.428 2.278 40 0 CEABHN COc1ccc2c(c1)CCN1[C@H]3CCCN3CC[C@H]21 ZINC000019326983 394468692 /nfs/dbraw/zinc/46/86/92/394468692.db2.gz XDZYAXIEADIXLB-CVEARBPZSA-N 0 3 258.365 2.420 40 0 CEABHN Fc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1 ZINC000096530151 394698498 /nfs/dbraw/zinc/69/84/98/394698498.db2.gz BIGHEBJOYZMDHX-ZDUSSCGKSA-N 0 3 283.310 2.355 40 0 CEABHN CCCCOC[C@@H](O)CN1CCc2ccccc2C1 ZINC000008844776 170357474 /nfs/dbraw/zinc/35/74/74/170357474.db2.gz OEEALKPMNGSFLR-INIZCTEOSA-N 0 3 263.381 2.222 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000022222158 171378729 /nfs/dbraw/zinc/37/87/29/171378729.db2.gz NLAGDHOLDUBGQI-UHIISALHSA-N 0 3 268.788 2.449 40 0 CEABHN COc1cc(OC)c([C@H](CN)N2CCCCC2)c(OC)c1 ZINC000037376736 173165666 /nfs/dbraw/zinc/16/56/66/173165666.db2.gz ULBYACIGLSGVRC-ZDUSSCGKSA-N 0 3 294.395 2.198 40 0 CEABHN O=C(CNC1CC1)Nc1cccc(C(F)(F)F)c1 ZINC000037386644 173170386 /nfs/dbraw/zinc/17/03/86/173170386.db2.gz JVHPPXWVPCDXSY-UHFFFAOYSA-N 0 3 258.243 2.396 40 0 CEABHN Cc1cc(C)c2cc(C)c3nn(CCN(C)C)c(=O)n3c2c1 ZINC000072346876 176372987 /nfs/dbraw/zinc/37/29/87/176372987.db2.gz ZGQNKGRYDNOJDD-UHFFFAOYSA-N 0 3 298.390 2.136 40 0 CEABHN Cc1c(CN2CCC(C)(c3cc[nH]n3)CC2)cnn1C ZINC000072385653 176390622 /nfs/dbraw/zinc/39/06/22/176390622.db2.gz ADZPJBFOEIJNCV-UHFFFAOYSA-N 0 3 273.384 2.005 40 0 CEABHN Cc1nc(NCc2ccccc2)nc2c1CN(C)CC2 ZINC000072415031 176399865 /nfs/dbraw/zinc/39/98/65/176399865.db2.gz ZOAWDYWSOAQONP-UHFFFAOYSA-N 0 3 268.364 2.385 40 0 CEABHN CN1CCOCC12CCN(Cc1ccsc1)CC2 ZINC000096048901 185072903 /nfs/dbraw/zinc/07/29/03/185072903.db2.gz IDHDLJOQRAAWJP-UHFFFAOYSA-N 0 3 266.410 2.045 40 0 CEABHN COC[C@]12CCCO[C@H]1CCN(Cc1cccnc1)C2 ZINC000096056726 185078022 /nfs/dbraw/zinc/07/80/22/185078022.db2.gz MUKJZWFPHMTUTQ-JKSUJKDBSA-N 0 3 276.380 2.099 40 0 CEABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000037798576 361941860 /nfs/dbraw/zinc/94/18/60/361941860.db2.gz BVUZEYZGZJACCX-LBPRGKRZSA-N 0 3 299.212 2.391 40 0 CEABHN CN(C)C/C=C/C(=O)N1CCC2(CC1)CCC(C)(C)OC2 ZINC000585289388 345010491 /nfs/dbraw/zinc/01/04/91/345010491.db2.gz IWVPBVDDFODJSB-AATRIKPKSA-N 0 3 294.439 2.302 40 0 CEABHN c1csc(CN2CCNC[C@H]2c2ccccc2)n1 ZINC000086177433 179246596 /nfs/dbraw/zinc/24/65/96/179246596.db2.gz XQPAGIKNEWCQKH-ZDUSSCGKSA-N 0 3 259.378 2.290 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2cc(F)ccc2F)C[C@H](C)O1 ZINC000108350260 186212396 /nfs/dbraw/zinc/21/23/96/186212396.db2.gz AOEFDDJIKRFNLE-ISTVAULSSA-N 0 3 270.323 2.074 40 0 CEABHN CN1c2cccnc2CN(C2CCCC2)CC[C@H]1CO ZINC000225496049 283267595 /nfs/dbraw/zinc/26/75/95/283267595.db2.gz AZOQNDLDAAABDG-AWEZNQCLSA-N 0 3 275.396 2.027 40 0 biogenic,in-vitro CEABHN COc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)cc1 ZINC000079420416 363599322 /nfs/dbraw/zinc/59/93/22/363599322.db2.gz UADGBIPOCIUEDK-HNNXBMFYSA-N 0 3 278.396 2.416 40 0 CEABHN CCN(Cc1cccc(Br)c1)C(=O)[C@H](C)N ZINC000079420547 363599401 /nfs/dbraw/zinc/59/94/01/363599401.db2.gz WXWQRXPCWXWROQ-VIFPVBQESA-N 0 3 285.185 2.145 40 0 CEABHN CCN(CC)CCOC(=O)c1cc(Cl)cc(N)c1O ZINC000001671423 361215854 /nfs/dbraw/zinc/21/58/54/361215854.db2.gz SJHNKYBARPBUBK-UHFFFAOYSA-N 0 3 286.759 2.126 40 0 CEABHN OCC[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000001698270 361216757 /nfs/dbraw/zinc/21/67/57/361216757.db2.gz TUDVXGNOHPTXJN-CYBMUJFWSA-N 0 3 263.337 2.325 40 0 CEABHN CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1 ZINC000082333252 363766586 /nfs/dbraw/zinc/76/65/86/363766586.db2.gz PZIFUDLUTOHULH-CYBMUJFWSA-N 0 3 260.337 2.170 40 0 CEABHN Cc1cc(=O)[n-]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000012113709 361372967 /nfs/dbraw/zinc/37/29/67/361372967.db2.gz DVTMQGJIWZXHRU-UHFFFAOYSA-N 0 3 298.390 2.155 40 0 CEABHN Cc1nnsc1C(=O)NC(C)(C)CN1CCCCCC1 ZINC000019563553 361543262 /nfs/dbraw/zinc/54/32/62/361543262.db2.gz CPUKFWVDZHGVCT-UHFFFAOYSA-N 0 3 296.440 2.231 40 0 CEABHN Cc1c(CN(CCN(C)C)Cc2cccs2)cnn1C ZINC000023247850 361596528 /nfs/dbraw/zinc/59/65/28/361596528.db2.gz UDOGJQJPKSVHMS-UHFFFAOYSA-N 0 3 292.452 2.354 40 0 CEABHN COc1ccc(OC[C@H](O)CNCc2ccccc2)cc1 ZINC000026896778 361646707 /nfs/dbraw/zinc/64/67/07/361646707.db2.gz URVZVBJFESVFCG-OAHLLOKOSA-N 0 3 287.359 2.225 40 0 CEABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248681 364417142 /nfs/dbraw/zinc/41/71/42/364417142.db2.gz GEXFPRQFOCPIDD-SJORKVTESA-N 0 3 274.408 2.288 40 0 CEABHN CC(=O)N1CCC12CCN(Cc1ccsc1)CC2 ZINC000096239455 364417209 /nfs/dbraw/zinc/41/72/09/364417209.db2.gz PXZYDKRNJUFQGG-UHFFFAOYSA-N 0 3 264.394 2.335 40 0 CEABHN CC[C@@H](Oc1ccccc1F)C(=O)NC1CCN(C)CC1 ZINC000113960383 364919419 /nfs/dbraw/zinc/91/94/19/364919419.db2.gz KXILEJANXDNGGH-CQSZACIVSA-N 0 3 294.370 2.194 40 0 CEABHN CCC[C@@H](C)N1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099697 367177346 /nfs/dbraw/zinc/17/73/46/367177346.db2.gz YMCUZPKWOHVKKM-CZUORRHYSA-N 0 3 288.395 2.094 40 0 CEABHN c1csc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588671 371529986 /nfs/dbraw/zinc/52/99/86/371529986.db2.gz NRAXYOAGABLPCC-GJZGRUSLSA-N 0 3 292.448 2.433 40 0 CEABHN CCn1ccc(CNCCc2cccc(OC)c2)n1 ZINC000256055142 190005667 /nfs/dbraw/zinc/00/56/67/190005667.db2.gz ZIUHJHQRJFXTQP-UHFFFAOYSA-N 0 3 259.353 2.244 40 0 CEABHN CC(=O)N1CCC[C@H]2N(Cc3cccnc3)CCC[C@@]21C ZINC000257247345 190019561 /nfs/dbraw/zinc/01/95/61/190019561.db2.gz IYOMIUFTIZUEOD-SJORKVTESA-N 0 3 287.407 2.447 40 0 CEABHN CCOc1ccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257250098 190019805 /nfs/dbraw/zinc/01/98/05/190019805.db2.gz JLAPQXRBFSIJNC-IRXDYDNUSA-N 0 3 291.391 2.201 40 0 CEABHN Cc1cn(C)c([C@@H]2CCN(Cc3scnc3C)C2)n1 ZINC000257273528 190024579 /nfs/dbraw/zinc/02/45/79/190024579.db2.gz NGZGKIRIMXBYGV-GFCCVEGCSA-N 0 3 276.409 2.483 40 0 CEABHN Cc1nc(N)sc1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000257327226 190034877 /nfs/dbraw/zinc/03/48/77/190034877.db2.gz XAOFQNFTSRRGKC-JTQLQIEISA-N 0 3 289.408 2.300 40 0 CEABHN C[C@H](NC[C@H](O)CC1CCCC1)c1cnn(C)c1 ZINC000332306094 377563600 /nfs/dbraw/zinc/56/36/00/377563600.db2.gz JLIHSZZEZPONLG-SMDDNHRTSA-N 0 3 251.374 2.012 40 0 CEABHN Cc1nc(N2CCOCC2)ccc1[C@H](N)c1ccccc1 ZINC000072224605 394594381 /nfs/dbraw/zinc/59/43/81/394594381.db2.gz HMMUBKHVCOWOSI-QGZVFWFLSA-N 0 3 283.375 2.275 40 0 CEABHN CC[C@@H](O)c1cnc(N2CCN(C(C)C)CC2)cc1C ZINC000072223708 394594552 /nfs/dbraw/zinc/59/45/52/394594552.db2.gz JQOKNYOVQXEUGG-OAHLLOKOSA-N 0 3 277.412 2.364 40 0 CEABHN COc1cccc(NCCc2nnc([C@H](N)C(C)C)[nH]2)c1 ZINC000095534745 394673614 /nfs/dbraw/zinc/67/36/14/394673614.db2.gz KAIWZTIPMIZNCY-CQSZACIVSA-N 0 3 289.383 2.124 40 0 CEABHN COc1cccc(NCCc2nc([C@H](N)C(C)C)n[nH]2)c1 ZINC000095534745 394673615 /nfs/dbraw/zinc/67/36/15/394673615.db2.gz KAIWZTIPMIZNCY-CQSZACIVSA-N 0 3 289.383 2.124 40 0 CEABHN CC1CCN(C[C@H](O)COc2ccccc2F)CC1 ZINC000006395793 170197921 /nfs/dbraw/zinc/19/79/21/170197921.db2.gz LLXJZHFRDRNTAG-ZDUSSCGKSA-N 0 3 267.344 2.297 40 0 CEABHN CC(C)c1ccccc1O[C@@H](C)C(=O)NCCN(C)C ZINC000022510514 171389208 /nfs/dbraw/zinc/38/92/08/171389208.db2.gz FQONHXVUAQUKMD-ZDUSSCGKSA-N 0 3 278.396 2.255 40 0 CEABHN CNc1ncccc1CN1CCC[C@H]1c1[nH]ncc1C ZINC000072364460 176379808 /nfs/dbraw/zinc/37/98/08/176379808.db2.gz MIHMXLHDFFVHLT-ZDUSSCGKSA-N 0 3 271.368 2.492 40 0 CEABHN Cc1c[nH]nc1C1(C)CCN(Cc2cnn(C)c2)CC1 ZINC000072388876 176393924 /nfs/dbraw/zinc/39/39/24/176393924.db2.gz XDCFRANCTAINNZ-UHFFFAOYSA-N 0 3 273.384 2.005 40 0 CEABHN CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220872 277251261 /nfs/dbraw/zinc/25/12/61/277251261.db2.gz KNYSEWHMZXNEQO-LBPRGKRZSA-N 0 3 266.772 2.298 40 0 CEABHN OC[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000095932013 185032682 /nfs/dbraw/zinc/03/26/82/185032682.db2.gz JVJIYCXIYVNRHB-VXGBXAGGSA-N 0 3 259.271 2.289 40 0 CEABHN CO[C@@H]1COC2(C1)CCN(Cc1ccc(C)o1)CC2 ZINC000096048134 185072559 /nfs/dbraw/zinc/07/25/59/185072559.db2.gz UFHRWLJLTIMFDN-AWEZNQCLSA-N 0 3 265.353 2.358 40 0 CEABHN COc1ccccc1CN1CC[C@]2(C[C@H](OC)CO2)C1 ZINC000096107580 185099451 /nfs/dbraw/zinc/09/94/51/185099451.db2.gz DQMDGMOIYJJWNS-HOCLYGCPSA-N 0 3 277.364 2.075 40 0 CEABHN CN1CC[C@H](c2nnc(COc3ccc(F)cc3)o2)C1 ZINC000049170383 362342899 /nfs/dbraw/zinc/34/28/99/362342899.db2.gz DYBFRVJYYXLAGI-JTQLQIEISA-N 0 3 277.299 2.207 40 0 biogenic,in-vitro CEABHN N[C@H](C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)C(=O)[O-] ZINC000409440106 344889829 /nfs/dbraw/zinc/88/98/29/344889829.db2.gz JPBIMQFWRADWCT-OLZOCXBDSA-N 0 3 282.771 2.279 40 0 CEABHN CCn1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000585181412 345009033 /nfs/dbraw/zinc/00/90/33/345009033.db2.gz ISCUSGFWRFSICN-CYBMUJFWSA-N 0 3 273.384 2.232 40 0 CEABHN Cc1ccccc1CNC(=O)CC1CCN(C)CC1 ZINC000074920908 363418891 /nfs/dbraw/zinc/41/88/91/363418891.db2.gz FVQJQULGUAUKKF-UHFFFAOYSA-N 0 3 260.381 2.343 40 0 CEABHN CSc1ccc(CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000079420606 363598723 /nfs/dbraw/zinc/59/87/23/363598723.db2.gz YWZRAEVBBYNDDE-LBPRGKRZSA-N 0 3 252.383 2.008 40 0 CEABHN CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1 ZINC000081223412 363706765 /nfs/dbraw/zinc/70/67/65/363706765.db2.gz BJHHWNNCPGMSSF-CYBMUJFWSA-N 0 3 290.363 2.144 40 0 CEABHN CN(C)C[C@@H](CN1CCCC1)C(=O)c1ccccc1 ZINC000001571872 361209086 /nfs/dbraw/zinc/20/90/86/361209086.db2.gz PESNANQSYBTIMQ-HNNXBMFYSA-N 0 3 260.381 2.143 40 0 CEABHN O[C@@H]1CCCC[C@@H]1CN1CCN(c2ccccc2)CC1 ZINC000002022376 361225784 /nfs/dbraw/zinc/22/57/84/361225784.db2.gz TZJZHIIVJQYNPM-NVXWUHKLSA-N 0 3 274.408 2.360 40 0 CEABHN C[C@@H]1CN([C@H](CN)c2ccc(F)cc2F)C[C@@H](C)O1 ZINC000019257478 361522369 /nfs/dbraw/zinc/52/23/69/361522369.db2.gz FRPCNYBXDUFELS-GPCCPHFNSA-N 0 3 270.323 2.074 40 0 CEABHN CCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000019522518 361541078 /nfs/dbraw/zinc/54/10/78/361541078.db2.gz AFDAUQGIYIERMF-CQSZACIVSA-N 0 3 298.390 2.107 40 0 CEABHN O=C1CCC[C@]2(CCCN(Cc3ccsc3)C2)N1 ZINC000096229650 364414562 /nfs/dbraw/zinc/41/45/62/364414562.db2.gz BGKOFRSCEKCTAY-CQSZACIVSA-N 0 3 264.394 2.383 40 0 CEABHN Cc1ccc(CN2CCC3(C[C@H]3C(=O)N(C)C)CC2)o1 ZINC000096227793 364414732 /nfs/dbraw/zinc/41/47/32/364414732.db2.gz ASZXKMFDJPCCOU-AWEZNQCLSA-N 0 3 276.380 2.278 40 0 CEABHN c1cc(CN2CCc3ncnc(C4CC4)c3CC2)ccn1 ZINC000096255086 364418755 /nfs/dbraw/zinc/41/87/55/364418755.db2.gz SRRKZNJZHIXVKJ-UHFFFAOYSA-N 0 3 280.375 2.350 40 0 CEABHN CCn1cc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257296171 371610907 /nfs/dbraw/zinc/61/09/07/371610907.db2.gz RBNCOCAIPHLJBB-INIZCTEOSA-N 0 3 299.422 2.399 40 0 CEABHN NCc1cc(-c2ccc(Br)s2)ncn1 ZINC000259064929 371623087 /nfs/dbraw/zinc/62/30/87/371623087.db2.gz MVOACLKMMYIWMB-UHFFFAOYSA-N 0 3 270.155 2.426 40 0 CEABHN COCCCNCc1cn(C2CCCC2)nc1C ZINC000256049528 190002314 /nfs/dbraw/zinc/00/23/14/190002314.db2.gz AIPNJPHGNGZILN-UHFFFAOYSA-N 0 3 251.374 2.433 40 0 CEABHN CCn1nc(C)c(CNCCCOC(C)C)c1F ZINC000256051516 190003874 /nfs/dbraw/zinc/00/38/74/190003874.db2.gz JLMYKASDGGSHHS-UHFFFAOYSA-N 0 3 257.353 2.255 40 0 CEABHN CN1CCC[C@@H](c2cncc(-c3ccc(CO)cc3)n2)C1 ZINC000257198283 190010750 /nfs/dbraw/zinc/01/07/50/190010750.db2.gz YBMLRUCEBXYVSF-OAHLLOKOSA-N 0 3 283.375 2.445 40 0 CEABHN CNc1ncccc1CN1CCC[C@@](C)(c2cc[nH]n2)C1 ZINC000257238682 190017835 /nfs/dbraw/zinc/01/78/35/190017835.db2.gz HMBGDUWHBFKQBM-MRXNPFEDSA-N 0 3 285.395 2.400 40 0 CEABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1cnn(C)c1 ZINC000257241684 190018751 /nfs/dbraw/zinc/01/87/51/190018751.db2.gz HZCXQNHJVWPOKE-ZDUSSCGKSA-N 0 3 259.357 2.179 40 0 CEABHN Cc1n[nH]cc1-c1cnc(C[C@H]2CCCN(C)C2)cn1 ZINC000257257914 190021379 /nfs/dbraw/zinc/02/13/79/190021379.db2.gz KRPLVXHAIRBZJG-GFCCVEGCSA-N 0 3 271.368 2.059 40 0 CEABHN Cc1cccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)n1 ZINC000306131008 376539507 /nfs/dbraw/zinc/53/95/07/376539507.db2.gz JURDHVGAHBNIKR-CVEARBPZSA-N 0 3 295.390 2.033 40 0 CEABHN Cc1ccc(NC(=O)[C@@H]2CN(C)Cc3cn(C)nc32)c(C)c1 ZINC000019701310 394469953 /nfs/dbraw/zinc/46/99/53/394469953.db2.gz KPUJCUJVBAJJHE-CQSZACIVSA-N 0 3 298.390 2.205 40 0 CEABHN C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000022222152 171378709 /nfs/dbraw/zinc/37/87/09/171378709.db2.gz NLAGDHOLDUBGQI-GYSYKLTISA-N 0 3 268.788 2.449 40 0 CEABHN CN(C)c1cc(C2CCN(Cc3cnn(C)c3)CC2)ccn1 ZINC000072364259 176378734 /nfs/dbraw/zinc/37/87/34/176378734.db2.gz NQRSPZLWIUCVDK-UHFFFAOYSA-N 0 3 299.422 2.261 40 0 CEABHN CN1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000072364989 176380142 /nfs/dbraw/zinc/38/01/42/176380142.db2.gz JGYJGKZGDZEEGU-ZDUSSCGKSA-N 0 3 269.352 2.424 40 0 CEABHN CN1CCC[C@H](c2cncc(NCCc3ccccn3)n2)C1 ZINC000072365198 176380775 /nfs/dbraw/zinc/38/07/75/176380775.db2.gz VVOBNUOHOYQLJD-AWEZNQCLSA-N 0 3 297.406 2.335 40 0 CEABHN Cc1nccn1CCNc1cccc([C@H]2CCCN2C)n1 ZINC000072365343 176380783 /nfs/dbraw/zinc/38/07/83/176380783.db2.gz RHZSXONPDUSARO-OAHLLOKOSA-N 0 3 285.395 2.465 40 0 CEABHN CC(=O)N1CCC[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000072380834 176387064 /nfs/dbraw/zinc/38/70/64/176387064.db2.gz CGHREMITJPEKCN-ZDUSSCGKSA-N 0 3 261.369 2.182 40 0 CEABHN C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(C)C1 ZINC000082337170 280031383 /nfs/dbraw/zinc/03/13/83/280031383.db2.gz KQPIBFWLXXQLNF-JSGCOSHPSA-N 0 3 258.365 2.306 40 0 CEABHN COC(=O)[C@@H](CN)c1c[nH]c2ccc(Br)cc21 ZINC000027851451 333207843 /nfs/dbraw/zinc/20/78/43/333207843.db2.gz BKJDOBXUPXAYNW-VIFPVBQESA-N 0 3 297.152 2.146 40 0 CEABHN