smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCSc1ccc(OCCN2CCCC2)cc1 ZINC000095739418 185024194 /nfs/dbraw/zinc/02/41/94/185024194.db2.gz CQPAXLKQYRGDRE-UHFFFAOYSA-N 0 3 251.395 3.273 40 0 CGABHN c1coc(CN2CC3(C2)CCN(Cc2ccsc2)C3)c1 ZINC000096046479 185071666 /nfs/dbraw/zinc/07/16/66/185071666.db2.gz KZOQRYXDFZFDQN-UHFFFAOYSA-N 0 3 288.416 3.049 40 0 CGABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000096048104 185073078 /nfs/dbraw/zinc/07/30/78/185073078.db2.gz RFEVOCVVZDSZBF-CQSZACIVSA-N 0 3 295.448 3.217 40 0 CGABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 ZINC000096058415 185079170 /nfs/dbraw/zinc/07/91/70/185079170.db2.gz IHFWJQMJMIROBC-OALUTQOASA-N 0 3 296.414 3.127 40 0 CGABHN NC[C@@H](c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000095532272 303393823 /nfs/dbraw/zinc/39/38/23/303393823.db2.gz VUWKPUFZNIPSJY-LBPRGKRZSA-N 0 3 288.313 3.071 40 0 CGABHN CCCC(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000000514975 368382395 /nfs/dbraw/zinc/38/23/95/368382395.db2.gz MQRSTKOLJPGZMS-UHFFFAOYSA-N 0 3 260.381 3.411 40 0 CGABHN CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 ZINC000004094073 368530155 /nfs/dbraw/zinc/53/01/55/368530155.db2.gz RJXDBTDFBZRPHG-DFBDCSAJSA-N 0 3 293.451 3.452 40 0 CGABHN Nc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072212387 369815690 /nfs/dbraw/zinc/81/56/90/369815690.db2.gz CVOIMRCRDZMQJN-INIZCTEOSA-N 0 3 267.376 3.391 40 0 CGABHN CC1CCN([C@@H](CN)c2ccccc2C(F)(F)F)CC1 ZINC000095532283 370201877 /nfs/dbraw/zinc/20/18/77/370201877.db2.gz RHNNCDOJOWDLRB-AWEZNQCLSA-N 0 3 286.341 3.437 40 0 CGABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc(C)cc1)CC2 ZINC000096158723 370205134 /nfs/dbraw/zinc/20/51/34/370205134.db2.gz POKISBQDFBNNJB-QGZVFWFLSA-N 0 3 289.419 3.155 40 0 CGABHN COc1cccc(CCNCc2cnn(C3CCCC3)c2)c1 ZINC000256051831 190003774 /nfs/dbraw/zinc/00/37/74/190003774.db2.gz KQZIEVHDRUINLY-UHFFFAOYSA-N 0 3 299.418 3.339 40 0 CGABHN FC(F)(F)CCN1CCC(Cc2ccncc2)CC1 ZINC000257284500 190026410 /nfs/dbraw/zinc/02/64/10/190026410.db2.gz PCXRDJXQZPGIFP-UHFFFAOYSA-N 0 3 272.314 3.289 40 0 CGABHN CCCOc1ccccc1[C@@H](C)NCCCOC ZINC000225161176 376296265 /nfs/dbraw/zinc/29/62/65/376296265.db2.gz SHPWNBMXOQVBOD-CYBMUJFWSA-N 0 3 251.370 3.163 40 0 CGABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1ccc(C)nc1 ZINC000257200708 377796529 /nfs/dbraw/zinc/79/65/29/377796529.db2.gz AEOUWERWRWRKFM-OAHLLOKOSA-N 0 3 270.380 3.149 40 0 CGABHN COC(=O)C1=C(O)CC(c2ccccc2)(c2ccccc2)C1 ZINC000026895518 391951290 /nfs/dbraw/zinc/95/12/90/391951290.db2.gz ZTMHWJCACQLXSP-MRXNPFEDSA-N 0 3 294.350 3.125 40 0 CGABHN Cc1nc(Br)ccc1[C@@H](N)c1ccccc1 ZINC000072224007 392202924 /nfs/dbraw/zinc/20/29/24/392202924.db2.gz SXUNVIBHCDXZLM-ZDUSSCGKSA-N 0 3 277.165 3.201 40 0 CGABHN OC1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000005682413 170127921 /nfs/dbraw/zinc/12/79/21/170127921.db2.gz JUJMPQYWZWZMBX-UHFFFAOYSA-N 0 3 281.399 3.256 40 0 CGABHN CCCCCNCc1cccc(OC)c1OCC ZINC000007261342 170274024 /nfs/dbraw/zinc/27/40/24/170274024.db2.gz FKPQPBHGHBELOY-UHFFFAOYSA-N 0 3 251.370 3.374 40 0 CGABHN COc1cc(C=O)ccc1OCCCN1CCC[C@@H](C)C1 ZINC000008731573 170351098 /nfs/dbraw/zinc/35/10/98/170351098.db2.gz MVAMVOKYOOMUMS-CQSZACIVSA-N 0 3 291.391 3.009 40 0 CGABHN Cc1ccccc1-c1cncc(C2CCN(C)CC2)n1 ZINC000072359268 176376942 /nfs/dbraw/zinc/37/69/42/176376942.db2.gz NICYAPAAVHSISU-UHFFFAOYSA-N 0 3 267.376 3.261 40 0 CGABHN CCOc1ccccc1CN1CCC[C@@H]1c1[nH]ncc1C ZINC000072366784 176381755 /nfs/dbraw/zinc/38/17/55/176381755.db2.gz NVUBOZCBORIQIZ-OAHLLOKOSA-N 0 3 285.391 3.454 40 0 CGABHN COc1cccc(CN2CCC[C@H](c3n[nH]cc3C)C2)c1 ZINC000072385061 176389377 /nfs/dbraw/zinc/38/93/77/176389377.db2.gz KPPRRBMPRNNKNT-HNNXBMFYSA-N 0 3 285.391 3.106 40 0 CGABHN Cc1cc(-c2cnc(C3CC3)o2)cc2c1CNCC2 ZINC000530250412 270197828 /nfs/dbraw/zinc/19/78/28/270197828.db2.gz JLOZYTMLDGTWLP-UHFFFAOYSA-N 0 3 254.333 3.173 40 0 CGABHN CC(C)[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047897 275686841 /nfs/dbraw/zinc/68/68/41/275686841.db2.gz XQOPGEDYKLARAF-AWEZNQCLSA-N 0 3 263.381 3.307 40 0 CGABHN CO[C@@H]1COC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096106537 277667556 /nfs/dbraw/zinc/66/75/56/277667556.db2.gz LNFSWANUIKUKNX-HNNXBMFYSA-N 0 3 295.810 3.110 40 0 CGABHN CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H](C)C1 ZINC000004094074 278505830 /nfs/dbraw/zinc/50/58/30/278505830.db2.gz RJXDBTDFBZRPHG-RSJGLCBASA-N 0 3 293.451 3.452 40 0 CGABHN NC[C@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000038827626 295264615 /nfs/dbraw/zinc/26/46/15/295264615.db2.gz BDHOAZLEYNPWKF-CYBMUJFWSA-N 0 3 273.207 3.479 40 0 CGABHN CCN(CC)CCOC(=O)C[C@H](C)c1ccccc1 ZINC000255190201 567110465 /nfs/dbraw/zinc/11/04/65/567110465.db2.gz VPPXECZMBUTPGE-AWEZNQCLSA-N 0 3 263.381 3.065 40 0 CGABHN Cc1cc([C@@H]2CCCCN2Cc2ccccc2)c[nH]c1=O ZINC000072217983 345406329 /nfs/dbraw/zinc/40/63/29/345406329.db2.gz XWCWQQWEYDGEQO-KRWDZBQOSA-N 0 3 282.387 3.411 40 0 CGABHN CCN(CC)CCOC(=O)c1c(C)cc(C)cc1C ZINC000001648422 368426267 /nfs/dbraw/zinc/42/62/67/368426267.db2.gz VZVHWWWJZRQAOW-UHFFFAOYSA-N 0 3 263.381 3.110 40 0 CGABHN CCc1ccc(CN(CCO)Cc2cccs2)cc1 ZINC000013997401 368673237 /nfs/dbraw/zinc/67/32/37/368673237.db2.gz BAZGXOHUWCLPQG-UHFFFAOYSA-N 0 3 275.417 3.305 40 0 CGABHN Cc1nc2c(c(=O)[nH]1)CCN(CC[C@@H](C)c1ccccc1)C2 ZINC000019576577 368756609 /nfs/dbraw/zinc/75/66/09/368756609.db2.gz GILNIYWRTKIJMT-CYBMUJFWSA-N 0 3 297.402 3.043 40 0 CGABHN c1ccc(OC2CCCC2)c(CNC[C@H]2CCCO2)c1 ZINC000032121893 368926540 /nfs/dbraw/zinc/92/65/40/368926540.db2.gz MOYXOQRYIBBDPB-MRXNPFEDSA-N 0 3 275.392 3.277 40 0 CGABHN Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000046882664 369298737 /nfs/dbraw/zinc/29/87/37/369298737.db2.gz RAZDSFRUKHELOH-HUUCEWRRSA-N 0 3 288.435 3.011 40 0 CGABHN COc1cccc(OC)c1[C@H]1CCCN1CC(C)C ZINC000072221423 369816883 /nfs/dbraw/zinc/81/68/83/369816883.db2.gz REGAZJSOJUWIKR-CYBMUJFWSA-N 0 3 263.381 3.497 40 0 CGABHN COc1ccc(-c2cc(C(F)(F)F)c(CN)cn2)cc1 ZINC000089261766 370038970 /nfs/dbraw/zinc/03/89/70/370038970.db2.gz JRERZDCJGXGGMM-UHFFFAOYSA-N 0 3 282.265 3.235 40 0 CGABHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057374 541847862 /nfs/dbraw/zinc/84/78/62/541847862.db2.gz CEZPKIGJZWWHJT-IAQYHMDHSA-N 0 3 256.349 3.152 40 0 CGABHN Cc1ccc(C(=O)NCCN2CCCCCC2)c(Cl)c1 ZINC000191170440 375589491 /nfs/dbraw/zinc/58/94/91/375589491.db2.gz RQQWTDQPNMKXKG-UHFFFAOYSA-N 0 3 294.826 3.254 40 0 CGABHN Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H](c2cc[nH]n2)C1 ZINC000257212018 190013172 /nfs/dbraw/zinc/01/31/72/190013172.db2.gz CBOSETXNGDZEHB-LBPRGKRZSA-N 0 3 298.365 3.328 40 0 CGABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 ZINC000248114296 377266739 /nfs/dbraw/zinc/26/67/39/377266739.db2.gz IHFWJQMJMIROBC-RTBURBONSA-N 0 3 296.414 3.127 40 0 CGABHN CCN1CCC[C@H]1c1ccc(N2CCCC2)nc1C ZINC000072218912 285289381 /nfs/dbraw/zinc/28/93/81/285289381.db2.gz LPYWEABHKCGWAF-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN CCOc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000095095416 184943090 /nfs/dbraw/zinc/94/30/90/184943090.db2.gz HHQKSSOYJCJEEV-CYBMUJFWSA-N 0 3 287.363 3.177 40 0 CGABHN CC1=C2C(C)=CC(=O)O[C@@H]2N(c2ccc(C)c(Cl)c2)N1 ZINC000059416953 392117948 /nfs/dbraw/zinc/11/79/48/392117948.db2.gz ZRBAITHXDBBELJ-GJZGRUSLSA-N 0 3 290.750 3.290 40 0 CGABHN CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1 ZINC000072208965 397640042 /nfs/dbraw/zinc/64/00/42/397640042.db2.gz JIMJVFSLVVNKKW-KBPBESRZSA-N 0 3 278.396 3.236 40 0 CGABHN CC(C)N1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072361655 176377693 /nfs/dbraw/zinc/37/76/93/176377693.db2.gz CPBRYVMDXQFKFL-UHFFFAOYSA-N 0 3 298.390 3.252 40 0 CGABHN Cc1cc([C@@H]2CCCN(Cc3cccnc3)C2)ccn1 ZINC000072366677 176381844 /nfs/dbraw/zinc/38/18/44/176381844.db2.gz DBCLRWNDPIYCNJ-QGZVFWFLSA-N 0 3 267.376 3.165 40 0 CGABHN C[C@@H]1CCCN([C@@H](CN)c2cccc(Cl)c2)C1 ZINC000022168421 287359400 /nfs/dbraw/zinc/35/94/00/287359400.db2.gz AZSNIQWQHVUQLA-RISCZKNCSA-N 0 3 252.789 3.072 40 0 CGABHN C[C@@H]1CCC[C@@H](C)N1CCOc1cccc(C=O)c1 ZINC000217788560 262344477 /nfs/dbraw/zinc/34/44/77/262344477.db2.gz ONBWXIDWHYEVNX-ZIAGYGMSSA-N 0 3 261.365 3.141 40 0 CGABHN CNCc1ccccc1[C@H](O)c1ccc(Cl)cc1 ZINC000000014718 273969023 /nfs/dbraw/zinc/96/90/23/273969023.db2.gz GMQRLEHODLAXAW-OAHLLOKOSA-N 0 3 261.752 3.141 40 0 in-man CGABHN CN(C)C[C@H]1CCc2ccc3ccccc3c2C1=O ZINC000005700717 273801149 /nfs/dbraw/zinc/80/11/49/273801149.db2.gz OTFJDUYHMWYNCA-CQSZACIVSA-N 0 3 253.345 3.147 40 0 CGABHN C[C@H](c1ccccc1O)[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000004973173 290266910 /nfs/dbraw/zinc/26/69/10/290266910.db2.gz FJVDFCKYRXBJGP-UXLLHSPISA-N 0 3 289.419 3.387 40 0 CGABHN NC[C@H](c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000019861934 295264598 /nfs/dbraw/zinc/26/45/98/295264598.db2.gz KNRSNTYTNXSTCC-GFCCVEGCSA-N 0 3 259.180 3.089 40 0 CGABHN Cc1ccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)s1 ZINC000096062531 185082591 /nfs/dbraw/zinc/08/25/91/185082591.db2.gz KRBKQKZSBNPXDQ-VHRBIJSZSA-N 0 3 251.395 3.056 40 0 CGABHN COc1ccc(C(=O)[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000001665772 368427809 /nfs/dbraw/zinc/42/78/09/368427809.db2.gz XVFCULDDSWYQLS-KRWDZBQOSA-N 0 3 283.371 3.223 40 0 CGABHN CN(C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001869860 368440289 /nfs/dbraw/zinc/44/02/89/368440289.db2.gz LBQGJHNNGUZLOH-ROUUACIJSA-N 0 3 295.382 3.461 40 0 CGABHN CN(C)C[C@H](O)c1ccc2c(c1)oc1ccccc12 ZINC000004934447 368559325 /nfs/dbraw/zinc/55/93/25/368559325.db2.gz PFCIEYMQAXGJCE-AWEZNQCLSA-N 0 3 255.317 3.181 40 0 CGABHN N[C@@H](c1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000055205718 369513880 /nfs/dbraw/zinc/51/38/80/369513880.db2.gz YNJOPXFMEFAMDQ-GFCCVEGCSA-N 0 3 252.239 3.149 40 0 CGABHN CCN(C)c1ncccc1[C@@H]1CCCCN1C(C)C ZINC000072212796 284371795 /nfs/dbraw/zinc/37/17/95/284371795.db2.gz GTNUDNWEMKHOOK-HNNXBMFYSA-N 0 3 261.413 3.473 40 0 CGABHN CC(C)n1nccc1-c1cccc([C@H]2CCCN2C)n1 ZINC000257295945 190028590 /nfs/dbraw/zinc/02/85/90/190028590.db2.gz RANYDLIQHBOCMF-OAHLLOKOSA-N 0 3 270.380 3.293 40 0 CGABHN c1cn2c(cccc2C2CCN(Cc3cccnc3)CC2)n1 ZINC000257295261 190028813 /nfs/dbraw/zinc/02/88/13/190028813.db2.gz QXQBQBKTIVZCJP-UHFFFAOYSA-N 0 3 292.386 3.109 40 0 CGABHN COCCNCc1cccn1-c1cccc(Cl)c1C ZINC000223685719 376258834 /nfs/dbraw/zinc/25/88/34/376258834.db2.gz RQMNZPWAMNZUQH-UHFFFAOYSA-N 0 3 278.783 3.175 40 0 CGABHN C[C@@H]1CCCN([C@@H](CN)c2ccccc2Br)C1 ZINC000019471583 296400095 /nfs/dbraw/zinc/40/00/95/296400095.db2.gz IBLBHSHLRDRWHD-RISCZKNCSA-N 0 3 297.240 3.181 40 0 CGABHN CN[C@H](c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207637 392196346 /nfs/dbraw/zinc/19/63/46/392196346.db2.gz LVCAAGRDHHKLEF-HUUCEWRRSA-N 0 3 292.423 3.496 40 0 CGABHN Cc1nc(Br)ccc1[C@H](N)c1ccccc1 ZINC000072224006 392203122 /nfs/dbraw/zinc/20/31/22/392203122.db2.gz SXUNVIBHCDXZLM-CYBMUJFWSA-N 0 3 277.165 3.201 40 0 CGABHN CCc1cccc2cc3c(nc21)O[C@@H](CC)CNC3 ZINC000072392283 392205825 /nfs/dbraw/zinc/20/58/25/392205825.db2.gz RYKQXTGUCAASHC-AWEZNQCLSA-N 0 3 256.349 3.058 40 0 CGABHN CC[C@H](c1ccccc1)N(C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079418757 288155998 /nfs/dbraw/zinc/15/59/98/288155998.db2.gz HKHJPCZIQUCDGS-CVEARBPZSA-N 0 3 274.408 3.112 40 0 CGABHN OC1/C(=C\c2ccccc2)CNC/C1=C/c1ccccc1 ZINC000001624824 304821223 /nfs/dbraw/zinc/82/12/23/304821223.db2.gz ZYPHMHISTJAFFJ-WHYMJUELSA-N 0 3 277.367 3.118 40 0 CGABHN NC[C@H](c1ccccc1OC(F)(F)F)N1CCCCC1 ZINC000095532271 185005193 /nfs/dbraw/zinc/00/51/93/185005193.db2.gz VUWKPUFZNIPSJY-GFCCVEGCSA-N 0 3 288.313 3.071 40 0 CGABHN CCCN1CCCC[C@@H]1c1cccnc1N(C)CC ZINC000072212794 283321414 /nfs/dbraw/zinc/32/14/14/283321414.db2.gz VQSIJSOKQLBJHM-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN CN(CCN(C)Cc1ccccc1)Cc1ccccc1 ZINC000019365682 368749885 /nfs/dbraw/zinc/74/98/85/368749885.db2.gz VRPZLDIUBCEYBA-UHFFFAOYSA-N 0 3 268.404 3.250 40 0 CGABHN CC(C)Oc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963780 368792203 /nfs/dbraw/zinc/79/22/03/368792203.db2.gz WWLXASZDMMYFBT-CZUORRHYSA-N 0 3 263.381 3.303 40 0 CGABHN [O-]c1ccc(C[NH2+]Cc2ccccc2)c2cccnc12 ZINC000031689272 368916550 /nfs/dbraw/zinc/91/65/50/368916550.db2.gz CKFSZNNHRZDPJV-UHFFFAOYSA-N 0 3 264.328 3.230 40 0 in-vitro CGABHN Cc1cc(C)c(CSc2cc(N)nc(N)c2N)c(C)c1 ZINC000053277134 369482470 /nfs/dbraw/zinc/48/24/70/369482470.db2.gz CXTPFSGDANERJQ-UHFFFAOYSA-N 0 3 288.420 3.046 40 0 CGABHN CC(C)Oc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000074921021 369891867 /nfs/dbraw/zinc/89/18/67/369891867.db2.gz GDZMQAWQWHZOPN-UHFFFAOYSA-N 0 3 290.407 3.144 40 0 CGABHN CN1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000082337376 370002456 /nfs/dbraw/zinc/00/24/56/370002456.db2.gz RRCYGZRZBYQPDA-VIFPVBQESA-N 0 3 287.190 3.274 40 0 CGABHN COc1ccc2c3c1OC1=C[C@@H](C)C=C4[C@@H](C2)N(C)CC[C@@]134 ZINC000096316437 370210883 /nfs/dbraw/zinc/21/08/83/370210883.db2.gz LUBWAENLSVGGLJ-GEDNVKPRSA-N 0 3 295.382 3.046 40 0 biogenic,in-vitro CGABHN Cc1cc(-c2cc(C)nc([C@@H]3CCCN(C(C)C)C3)n2)n[nH]1 ZINC000257268698 190024222 /nfs/dbraw/zinc/02/42/22/190024222.db2.gz MMUZNEISMROCLO-CQSZACIVSA-N 0 3 299.422 3.071 40 0 CGABHN CC[C@H](C)Oc1ccccc1[C@H](C)NCCOC ZINC000225161115 376297063 /nfs/dbraw/zinc/29/70/63/376297063.db2.gz CTFSDGXSKPYMPS-STQMWFEESA-N 0 3 251.370 3.161 40 0 CGABHN C[C@@H]1CCCN([C@@H](CN)c2ccc(Br)cc2)C1 ZINC000022166020 296400237 /nfs/dbraw/zinc/40/02/37/296400237.db2.gz HTUFBLYJYHUCRK-RISCZKNCSA-N 0 3 297.240 3.181 40 0 CGABHN CN(C)C[C@](C)(Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000001843235 391913561 /nfs/dbraw/zinc/91/35/61/391913561.db2.gz VLTKRRBYKMGKNV-MSOLQXFVSA-N 0 3 285.387 3.119 40 0 CGABHN CSc1ncc(CN[C@H](C)CCc2ccccc2)cn1 ZINC000062717258 392133199 /nfs/dbraw/zinc/13/31/99/392133199.db2.gz ONONDBGTCKQEAD-CYBMUJFWSA-N 0 3 287.432 3.309 40 0 CGABHN OC[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCC1 ZINC000070453342 392183531 /nfs/dbraw/zinc/18/35/31/392183531.db2.gz OHAYPGBGCOEMSY-IBGZPJMESA-N 0 3 297.398 3.395 40 0 CGABHN c1ccc(COc2ncccc2[C@@H]2CCCCN2)cc1 ZINC000072212091 392197769 /nfs/dbraw/zinc/19/77/69/392197769.db2.gz MJAWBLCXSLNBRA-INIZCTEOSA-N 0 3 268.360 3.475 40 0 CGABHN CNc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072212525 392197846 /nfs/dbraw/zinc/19/78/46/392197846.db2.gz CEVNGCRQIWKGSU-INIZCTEOSA-N 0 3 267.376 3.460 40 0 CGABHN Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1C ZINC000072218934 392200477 /nfs/dbraw/zinc/20/04/77/392200477.db2.gz MKAFEOKQMIHKFL-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN Clc1ccc(CN2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072381579 392206012 /nfs/dbraw/zinc/20/60/12/392206012.db2.gz MJHFNQHUYKJNAD-LBPRGKRZSA-N 0 3 261.756 3.053 40 0 CGABHN CC[C@@H](c1ccccc1)N(C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079418752 392220546 /nfs/dbraw/zinc/22/05/46/392220546.db2.gz HKHJPCZIQUCDGS-HOTGVXAUSA-N 0 3 274.408 3.112 40 0 CGABHN CC(C)(C)OC(=O)N[C@H]1CCCN[C@H]1c1ccccc1 ZINC000035905347 278442875 /nfs/dbraw/zinc/44/28/75/278442875.db2.gz XJVZJNCXBRDMQH-KBPBESRZSA-N 0 3 276.380 3.004 40 0 CGABHN Cc1ccc([C@@H]2NCCc3nc4ccccc4n32)cc1 ZINC000019772812 278852052 /nfs/dbraw/zinc/85/20/52/278852052.db2.gz YAIFPHXKSMTVKA-QGZVFWFLSA-N 0 3 263.344 3.037 40 0 CGABHN NC1=NN(c2ccccc2)[C@H](c2ccc(F)cc2)C1 ZINC000222548253 303360568 /nfs/dbraw/zinc/36/05/68/303360568.db2.gz MFYRORUJXAGOHB-AWEZNQCLSA-N 0 3 255.296 3.049 40 0 CGABHN COC[C@@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096106252 185098679 /nfs/dbraw/zinc/09/86/79/185098679.db2.gz FEFIPINEQHBXHG-CQSZACIVSA-N 0 3 295.448 3.013 40 0 CGABHN O[C@]12CCCC[C@H]1CN(CC1=Cc3ccccc3OC1)CC2 ZINC000019375138 344890207 /nfs/dbraw/zinc/89/02/07/344890207.db2.gz DRALRCCXSSHPOB-HKUYNNGSSA-N 0 3 299.414 3.089 40 0 CGABHN CN1CC[C@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000059229692 345206685 /nfs/dbraw/zinc/20/66/85/345206685.db2.gz OFPJOWXBDHSDOQ-HKUYNNGSSA-N 0 3 278.399 3.495 40 0 CGABHN C[C@H]1CCCN([C@H](CN)c2ccc(Br)cc2)C1 ZINC000108018432 345936361 /nfs/dbraw/zinc/93/63/61/345936361.db2.gz HTUFBLYJYHUCRK-SMDDNHRTSA-N 0 3 297.240 3.181 40 0 CGABHN CN[C@H](c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207658 283679002 /nfs/dbraw/zinc/67/90/02/283679002.db2.gz JARAEFPSWXWDOV-HUUCEWRRSA-N 0 3 290.407 3.347 40 0 CGABHN CN(C)C[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000340666 368342931 /nfs/dbraw/zinc/34/29/31/368342931.db2.gz GJUPMIOTRBVKSA-INIZCTEOSA-N 0 3 253.345 3.215 40 0 CGABHN Brc1ccc2[nH]c([C@@H]3CCCCN3)nc2c1 ZINC000037441236 369084796 /nfs/dbraw/zinc/08/47/96/369084796.db2.gz IJBISQGUDCIZBL-JTQLQIEISA-N 0 3 280.169 3.140 40 0 CGABHN Brc1ccc2nc([C@@H]3CCCCN3)[nH]c2c1 ZINC000037441236 369084802 /nfs/dbraw/zinc/08/48/02/369084802.db2.gz IJBISQGUDCIZBL-JTQLQIEISA-N 0 3 280.169 3.140 40 0 CGABHN CCN(CC)Cc1cc(Br)ccc1OC ZINC000042211195 369204173 /nfs/dbraw/zinc/20/41/73/369204173.db2.gz SREGVCUXAPQBQP-UHFFFAOYSA-N 0 3 272.186 3.300 40 0 CGABHN C[C@@H](CNCc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000047219124 369310470 /nfs/dbraw/zinc/31/04/70/369310470.db2.gz CWYPZUPXNJKXHY-NSHDSACASA-N 0 3 283.799 3.407 40 0 CGABHN CN1CCC(CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000074921010 369891497 /nfs/dbraw/zinc/89/14/97/369891497.db2.gz SJBISXYBFQNKLK-UHFFFAOYSA-N 0 3 284.762 3.150 40 0 CGABHN CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000079620972 369972673 /nfs/dbraw/zinc/97/26/73/369972673.db2.gz YPTUKDMLIHJEST-OAHLLOKOSA-N 0 3 288.435 3.059 40 0 CGABHN CC[C@@H](C)n1nccc1CNCCc1cccc(OC)c1 ZINC000256055166 190005578 /nfs/dbraw/zinc/00/55/78/190005578.db2.gz ZMZCMJMFAQDXGE-CQSZACIVSA-N 0 3 287.407 3.195 40 0 CGABHN Cc1ccc(C[C@H]2CCCN(Cc3cncs3)C2)cn1 ZINC000257219857 190014221 /nfs/dbraw/zinc/01/42/21/190014221.db2.gz DIMMPKKAKVQICF-OAHLLOKOSA-N 0 3 287.432 3.301 40 0 CGABHN C[C@@H]1CCCN([C@@H](CN)c2ccccc2C(F)(F)F)C1 ZINC000022214537 391944791 /nfs/dbraw/zinc/94/47/91/391944791.db2.gz QXBLZPZKYKSHMT-RISCZKNCSA-N 0 3 286.341 3.437 40 0 CGABHN Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1C ZINC000072218875 392200369 /nfs/dbraw/zinc/20/03/69/392200369.db2.gz ZJOZHUVRZCOQGC-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1Cl)C(C)C ZINC000079420636 392220524 /nfs/dbraw/zinc/22/05/24/392220524.db2.gz MPFFBCCZOFTTQO-AWEZNQCLSA-N 0 3 282.815 3.060 40 0 CGABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3c2cccc(C)n2)o1 ZINC000096184674 392246583 /nfs/dbraw/zinc/24/65/83/392246583.db2.gz VLWWFIYDAHQFPC-IRXDYDNUSA-N 0 3 297.402 3.145 40 0 CGABHN Cc1ccc(C2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC000004887418 170036360 /nfs/dbraw/zinc/03/63/60/170036360.db2.gz AZGNTLLAVWZVIQ-UHFFFAOYSA-N 0 3 281.399 3.479 40 0 CGABHN Cc1cccc(-c2cncc([C@@H]3CCCN(C)C3)n2)c1 ZINC000072359269 176376604 /nfs/dbraw/zinc/37/66/04/176376604.db2.gz SGLXAQOLRGQOIN-OAHLLOKOSA-N 0 3 267.376 3.261 40 0 CGABHN Cc1cn[nH]c1[C@H]1CCCN1Cc1cccc(F)c1 ZINC000072364011 176378952 /nfs/dbraw/zinc/37/89/52/176378952.db2.gz LBMOIIPWPHQQST-CQSZACIVSA-N 0 3 259.328 3.194 40 0 CGABHN c1nc(N2CCCC2)ncc1CNCCC1=CCCCC1 ZINC000062717824 262303110 /nfs/dbraw/zinc/30/31/10/262303110.db2.gz DAHMPJYVUZYWFD-UHFFFAOYSA-N 0 3 286.423 3.057 40 0 CGABHN Cc1cn(C)c([C@H]2CCCN2CCc2ccccc2)n1 ZINC000257322536 262745838 /nfs/dbraw/zinc/74/58/38/262745838.db2.gz WGJQSMDJEPZDEN-MRXNPFEDSA-N 0 3 269.392 3.108 40 0 CGABHN CC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2C ZINC000096052413 185074125 /nfs/dbraw/zinc/07/41/25/185074125.db2.gz LPTAPQCLFWZXIB-HOCLYGCPSA-N 0 3 292.448 3.114 40 0 CGABHN CCOCC[C@@H]1Cn2cccc2CN(CC2CCC2)C1 ZINC000585095091 346724228 /nfs/dbraw/zinc/72/42/28/346724228.db2.gz DZGSBRNKQBBMTK-INIZCTEOSA-N 0 3 276.424 3.147 40 0 CGABHN COc1ccccc1[C@H]1CCN(Cc2ccncc2)C1 ZINC000156165366 188246696 /nfs/dbraw/zinc/24/66/96/188246696.db2.gz SUADLAKCMLFWMR-HNNXBMFYSA-N 0 3 268.360 3.080 40 0 CGABHN CN(C)C[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001670705 368429222 /nfs/dbraw/zinc/42/92/22/368429222.db2.gz XEUOPBITPYQCMJ-DLBZAZTESA-N 0 3 255.361 3.065 40 0 CGABHN CCN(CC)C(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010365921 368581083 /nfs/dbraw/zinc/58/10/83/368581083.db2.gz BWXUYVSWPBQTGS-UHFFFAOYSA-N 0 3 274.408 3.155 40 0 CGABHN CCN(CC)[C@H](CN)c1ccc(Cl)cc1Cl ZINC000019260216 368746458 /nfs/dbraw/zinc/74/64/58/368746458.db2.gz YFADDHNWQFVQJP-GFCCVEGCSA-N 0 3 261.196 3.335 40 0 CGABHN c1c2cccnc2[nH]c1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000019346917 368747851 /nfs/dbraw/zinc/74/78/51/368747851.db2.gz HZSACAQHSUAIAE-INIZCTEOSA-N 0 3 292.386 3.338 40 0 CGABHN O[C@@]12CCCC[C@@H]1CN(CC1=Cc3ccccc3OC1)CC2 ZINC000019375133 368750509 /nfs/dbraw/zinc/75/05/09/368750509.db2.gz DRALRCCXSSHPOB-IEBWSBKVSA-N 0 3 299.414 3.089 40 0 CGABHN c1cc(OC2CCCC2)ccc1CNC[C@@H]1CCCO1 ZINC000032121896 368926728 /nfs/dbraw/zinc/92/67/28/368926728.db2.gz WYJXBTDWRSIQSM-KRWDZBQOSA-N 0 3 275.392 3.277 40 0 CGABHN c1ccc(CN2CC[C@H](c3nc4ccccc4o3)C2)nc1 ZINC000049168881 369390634 /nfs/dbraw/zinc/39/06/34/369390634.db2.gz IWUNLTLSIMMCCS-ZDUSSCGKSA-N 0 3 279.343 3.212 40 0 biogenic,in-vitro CGABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccc2ccccc2c1 ZINC000088611783 370036996 /nfs/dbraw/zinc/03/69/96/370036996.db2.gz GPXKIJMETNRECD-HNNXBMFYSA-N 0 3 286.375 3.364 40 0 CGABHN c1ncc(CN2CCC[C@H]2CCc2ccncc2)s1 ZINC000257233850 190017213 /nfs/dbraw/zinc/01/72/13/190017213.db2.gz GQZOXPKDKJUNFF-AWEZNQCLSA-N 0 3 273.405 3.135 40 0 CGABHN Cc1ccc(CN2CC[C@H](c3nccc(C)n3)C2)cc1 ZINC000257220371 190014837 /nfs/dbraw/zinc/01/48/37/190014837.db2.gz DKOOUKUHNKFZFZ-INIZCTEOSA-N 0 3 267.376 3.083 40 0 CGABHN NCc1cc2cccc(Br)c2nc1Cl ZINC000259325459 542354915 /nfs/dbraw/zinc/35/49/15/542354915.db2.gz KPNUOWAJCFGUHL-UHFFFAOYSA-N 0 3 271.545 3.109 40 0 CGABHN CC(C)C[C@@H](N)C(=O)Nc1cccc2ccccc21 ZINC000019484195 391936085 /nfs/dbraw/zinc/93/60/85/391936085.db2.gz VLGDNYIGYOVDNV-CQSZACIVSA-N 0 3 256.349 3.152 40 0 CGABHN CN(C)C[C@@](C)(Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000001843236 391913709 /nfs/dbraw/zinc/91/37/09/391913709.db2.gz VLTKRRBYKMGKNV-ZWKOTPCHSA-N 0 3 285.387 3.119 40 0 CGABHN CNc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212466 392197294 /nfs/dbraw/zinc/19/72/94/392197294.db2.gz TUZPLAISOKKPDJ-MRXNPFEDSA-N 0 3 267.376 3.460 40 0 CGABHN CC(C)c1[nH]c2ncccc2c1CN1CCSCC1 ZINC000072393350 392205670 /nfs/dbraw/zinc/20/56/70/392205670.db2.gz WPPQZKQRWRWMRC-UHFFFAOYSA-N 0 3 275.421 3.235 40 0 CGABHN Cc1ccc([C@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1 ZINC000095534170 392244415 /nfs/dbraw/zinc/24/44/15/392244415.db2.gz IITWSZRHHGHJRT-HNNXBMFYSA-N 0 3 278.359 3.137 40 0 CGABHN CC(C)(C)OC(=O)N1CCC2(CC1)NCc1ccccc12 ZINC000096974777 392259091 /nfs/dbraw/zinc/25/90/91/392259091.db2.gz ZXEHOZNMWWBHDT-UHFFFAOYSA-N 0 3 288.391 3.016 40 0 CGABHN CCOC(=O)C[C@@H](c1ccc(F)cc1)N1CCCCC1 ZINC000072210314 397640567 /nfs/dbraw/zinc/64/05/67/397640567.db2.gz WPFDDZGLXLXGBC-HNNXBMFYSA-N 0 3 279.355 3.306 40 0 CGABHN CCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007520060 170288136 /nfs/dbraw/zinc/28/81/36/170288136.db2.gz BCSXEHXBJPVTRD-UHFFFAOYSA-N 0 3 273.332 3.233 40 0 CGABHN CCCCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000039753299 174172045 /nfs/dbraw/zinc/17/20/45/174172045.db2.gz AOTFJDNTOUGIPZ-UHFFFAOYSA-N 0 3 288.435 3.205 40 0 CGABHN CN1CCC[C@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358362 176375929 /nfs/dbraw/zinc/37/59/29/176375929.db2.gz QMRVSWBWEAXRTQ-LBPRGKRZSA-N 0 3 271.339 3.092 40 0 CGABHN CN1CCC[C@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365257 176380525 /nfs/dbraw/zinc/38/05/25/176380525.db2.gz CNMCJFWFIIJTHM-KRWDZBQOSA-N 0 3 282.387 3.050 40 0 CGABHN CN1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375106 176385357 /nfs/dbraw/zinc/38/53/57/176385357.db2.gz RCXPCXOVZXIAJA-NSHDSACASA-N 0 3 260.366 3.048 40 0 CGABHN COc1ccc(CN2CCC[C@H](c3n[nH]cc3C)C2)cc1 ZINC000072384979 176388780 /nfs/dbraw/zinc/38/87/80/176388780.db2.gz LPLKCXAXGOXJEN-HNNXBMFYSA-N 0 3 285.391 3.106 40 0 CGABHN C[C@@H]1CCC[C@H](C)N1CCOc1cccc(C=O)c1 ZINC000217788648 262344671 /nfs/dbraw/zinc/34/46/71/262344671.db2.gz ONBWXIDWHYEVNX-OKILXGFUSA-N 0 3 261.365 3.141 40 0 CGABHN Cc1cc(N2CCNCC2)c2cc(Cl)cc(Cl)c2n1 ZINC000032500254 274708438 /nfs/dbraw/zinc/70/84/38/274708438.db2.gz UXRAKEJKYLOXBC-UHFFFAOYSA-N 0 3 296.201 3.260 40 0 CGABHN CCN1CCC[C@H]1c1cnc(N2CCCC2)cc1C ZINC000072218852 276379977 /nfs/dbraw/zinc/37/99/77/276379977.db2.gz AKWDUUPDZNYMBP-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN N[C@@H](c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000095533401 185006587 /nfs/dbraw/zinc/00/65/87/185006587.db2.gz SEXBYBLWKZOTQO-CYBMUJFWSA-N 0 3 284.750 3.173 40 0 CGABHN Cc1cn2c(CNCC(C)C)c(Cl)nc2s1 ZINC000256054956 346399439 /nfs/dbraw/zinc/39/94/39/346399439.db2.gz YMIVUVIJIOCTFA-UHFFFAOYSA-N 0 3 257.790 3.103 40 0 CGABHN CCCN1CCCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218639 283322471 /nfs/dbraw/zinc/32/24/71/283322471.db2.gz SARUFQROCWEPON-HNNXBMFYSA-N 0 3 261.413 3.393 40 0 CGABHN CN(C)[C@H]1Cc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001568909 368419486 /nfs/dbraw/zinc/41/94/86/368419486.db2.gz XHYXVRAZPBSVMR-DLBZAZTESA-N 0 3 281.355 3.071 40 0 CGABHN Cc1ccsc1CN(CCCO)Cc1ccccc1 ZINC000013997285 368673105 /nfs/dbraw/zinc/67/31/05/368673105.db2.gz CWWADVRQBIPQBL-UHFFFAOYSA-N 0 3 275.417 3.441 40 0 CGABHN CN(CCC(=O)c1cccs1)Cc1ccccc1 ZINC000034429355 368973750 /nfs/dbraw/zinc/97/37/50/368973750.db2.gz ZFHDLFSAKBZORM-UHFFFAOYSA-N 0 3 259.374 3.453 40 0 CGABHN Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000046882660 369298570 /nfs/dbraw/zinc/29/85/70/369298570.db2.gz RAZDSFRUKHELOH-GASCZTMLSA-N 0 3 288.435 3.011 40 0 CGABHN NCc1cnc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000089263249 370040961 /nfs/dbraw/zinc/04/09/61/370040961.db2.gz TWJRYMXTNXBPGF-UHFFFAOYSA-N 0 3 270.229 3.365 40 0 CGABHN Cc1ccc(C[C@@H]2CCCN(Cc3cncs3)C2)cn1 ZINC000257219856 190013740 /nfs/dbraw/zinc/01/37/40/190013740.db2.gz DIMMPKKAKVQICF-HNNXBMFYSA-N 0 3 287.432 3.301 40 0 CGABHN Cc1c[nH]c([C@H]2CCCN2CCc2ccccc2)n1 ZINC000257295726 190028519 /nfs/dbraw/zinc/02/85/19/190028519.db2.gz QZPRFNUKBRPVRT-OAHLLOKOSA-N 0 3 255.365 3.098 40 0 CGABHN Cc1cnc([C@H]2CCCN(Cc3ccccn3)C2)s1 ZINC000257342598 190037027 /nfs/dbraw/zinc/03/70/27/190037027.db2.gz ZPKKEGREWPFYSF-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN COCCNCc1cc(C)n(Cc2ccc(C)cc2)c1C ZINC000223663594 376258642 /nfs/dbraw/zinc/25/86/42/376258642.db2.gz MKWNIBVISBJEBH-UHFFFAOYSA-N 0 3 286.419 3.198 40 0 CGABHN CC[C@H](C)Oc1cccc([C@@H](C)NCCOC)c1 ZINC000225166458 376297003 /nfs/dbraw/zinc/29/70/03/376297003.db2.gz WGJOCJASYBSMEE-QWHCGFSZSA-N 0 3 251.370 3.161 40 0 CGABHN OC[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCC1 ZINC000070453341 285288917 /nfs/dbraw/zinc/28/89/17/285288917.db2.gz OHAYPGBGCOEMSY-LJQANCHMSA-N 0 3 297.398 3.395 40 0 CGABHN CCCN1CCC[C@@H]1c1cccnc1N(CC)CC ZINC000072212897 392198593 /nfs/dbraw/zinc/19/85/93/392198593.db2.gz YQUSGMJNBUFRLP-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1 ZINC000072214390 392199174 /nfs/dbraw/zinc/19/91/74/392199174.db2.gz YQSRSSHVZQTPSI-LBPRGKRZSA-N 0 3 277.368 3.243 40 0 CGABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCCCC1 ZINC000072222467 392201478 /nfs/dbraw/zinc/20/14/78/392201478.db2.gz UTJPDTDSUHGAEG-QGZVFWFLSA-N 0 3 281.403 3.428 40 0 CGABHN CC(C)n1c2c(n3cc(-c4ccc(F)cc4)nc31)CNCC2 ZINC000306125305 392635661 /nfs/dbraw/zinc/63/56/61/392635661.db2.gz CMDDHCIBVVXPNA-UHFFFAOYSA-N 0 3 298.365 3.169 40 0 CGABHN CCOC(=O)C[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000072210306 397640555 /nfs/dbraw/zinc/64/05/55/397640555.db2.gz YUDXVGNKPVNGOS-INIZCTEOSA-N 0 3 291.391 3.175 40 0 CGABHN C[C@@H](CNCc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000047219126 175405449 /nfs/dbraw/zinc/40/54/49/175405449.db2.gz ZACBLEWJXRHYNE-NSHDSACASA-N 0 3 283.799 3.407 40 0 CGABHN Cc1cc(C2CCN(Cc3cccnc3)CC2)ccn1 ZINC000072366676 176382006 /nfs/dbraw/zinc/38/20/06/176382006.db2.gz HZNUEXDYRMSQPZ-UHFFFAOYSA-N 0 3 267.376 3.165 40 0 CGABHN c1cc(CN2CCC(c3ccc4c(c3)OCO4)CC2)ccn1 ZINC000072373476 176384860 /nfs/dbraw/zinc/38/48/60/176384860.db2.gz FWNYFQQFEVFMLF-UHFFFAOYSA-N 0 3 296.370 3.190 40 0 CGABHN COc1cccc(CN2CCC[C@@H](c3n[nH]cc3C)C2)c1 ZINC000072385060 176389473 /nfs/dbraw/zinc/38/94/73/176389473.db2.gz KPPRRBMPRNNKNT-OAHLLOKOSA-N 0 3 285.391 3.106 40 0 CGABHN COc1cc(C=O)ccc1OCCN1[C@H](C)CCC[C@H]1C ZINC000217789332 533720632 /nfs/dbraw/zinc/72/06/32/533720632.db2.gz BGJXXLPIECDXQG-ZIAGYGMSSA-N 0 3 291.391 3.149 40 0 CGABHN CC(C)[C@@H]1COC2(C1)CCN(Cc1ccncc1F)CC2 ZINC000096072971 185088092 /nfs/dbraw/zinc/08/80/92/185088092.db2.gz CLNPOIXXVKSDCH-HNNXBMFYSA-N 0 3 292.398 3.248 40 0 CGABHN COc1ccc([C@H]2CCCN2Cc2ccncc2)cc1 ZINC000078719455 345620151 /nfs/dbraw/zinc/62/01/51/345620151.db2.gz SCWQZZYVNQIZBK-QGZVFWFLSA-N 0 3 268.360 3.427 40 0 CGABHN N[C@@H](CCc1ccccc1)c1cnc2ccccc2n1 ZINC000090587215 180009471 /nfs/dbraw/zinc/00/94/71/180009471.db2.gz KQHRPSMMQKDCBB-AWEZNQCLSA-N 0 3 263.344 3.262 40 0 CGABHN O=C(CCN1CC2CCC(CC2)C1)c1cccs1 ZINC000001615885 368423953 /nfs/dbraw/zinc/42/39/53/368423953.db2.gz MDTUYJDHQSNGOY-UHFFFAOYSA-N 0 3 263.406 3.443 40 0 in-vitro CGABHN CN(C)CCOc1ccc(Cc2ccccc2)cc1 ZINC000001700048 368433190 /nfs/dbraw/zinc/43/31/90/368433190.db2.gz BVGZXBZXUWTJHR-UHFFFAOYSA-N 0 3 255.361 3.218 40 0 CGABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCCC1 ZINC000002694450 368472237 /nfs/dbraw/zinc/47/22/37/368472237.db2.gz KCXDJIWVKTZZAH-HUUCEWRRSA-N 0 3 277.408 3.036 40 0 CGABHN CCCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000019906916 368779960 /nfs/dbraw/zinc/77/99/60/368779960.db2.gz YPIVUYVWPOLTFR-UHFFFAOYSA-N 0 3 288.185 3.053 40 0 CGABHN CN1CC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257232453 190016659 /nfs/dbraw/zinc/01/66/59/190016659.db2.gz GKXJGAULUOJUKA-LBPRGKRZSA-N 0 3 276.767 3.338 40 0 CGABHN Cc1cccc(C[C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257221297 190014783 /nfs/dbraw/zinc/01/47/83/190014783.db2.gz DOJDQTRCTMPWBM-MRXNPFEDSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1ccc(CN2CC[C@@H](c3nccc(C)n3)C2)s1 ZINC000257241833 190018736 /nfs/dbraw/zinc/01/87/36/190018736.db2.gz HZUHHDVVAYMYNM-CYBMUJFWSA-N 0 3 273.405 3.144 40 0 CGABHN CCCOc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 ZINC000225167215 376296735 /nfs/dbraw/zinc/29/67/35/376296735.db2.gz WXAFJFPTBGVTKM-CZUORRHYSA-N 0 3 263.381 3.305 40 0 CGABHN Cc1cc(N2CCCC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223484 256704831 /nfs/dbraw/zinc/70/48/31/256704831.db2.gz UAAKTNZTYWRAFS-KRWDZBQOSA-N 0 3 267.376 3.038 40 0 CGABHN N[C@@H](COCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000020264022 391940115 /nfs/dbraw/zinc/94/01/15/391940115.db2.gz IDPUFXPEPXQSEY-LBPRGKRZSA-N 0 3 259.271 3.132 40 0 CGABHN C[C@@H]1CCCCN1CCCOc1ccc(C=O)cc1 ZINC000008731549 170351010 /nfs/dbraw/zinc/35/10/10/170351010.db2.gz IZKQVCMKTOGYCT-CQSZACIVSA-N 0 3 261.365 3.142 40 0 CGABHN CN1CCC[C@@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072343509 176372274 /nfs/dbraw/zinc/37/22/74/176372274.db2.gz NHILNWYNNDOWCY-MRXNPFEDSA-N 0 3 282.387 3.050 40 0 CGABHN Cc1cccc(-c2nccnc2[C@@H]2CCCN(C)C2)c1 ZINC000072358358 176375955 /nfs/dbraw/zinc/37/59/55/176375955.db2.gz RYBIMNTZYSXCTF-OAHLLOKOSA-N 0 3 267.376 3.261 40 0 CGABHN CN1CCC(c2ccc(-c3ccc(CO)cc3)cn2)CC1 ZINC000072365259 176380346 /nfs/dbraw/zinc/38/03/46/176380346.db2.gz JMFFYHGNTUSPDS-UHFFFAOYSA-N 0 3 282.387 3.050 40 0 CGABHN Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN(C)C3)n2)n1 ZINC000072375909 176385004 /nfs/dbraw/zinc/38/50/04/176385004.db2.gz WIESMBFPPKAWRE-CQSZACIVSA-N 0 3 297.406 3.041 40 0 CGABHN Cc1ccc([C@@H]2SC(=N)N[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000059500964 262390221 /nfs/dbraw/zinc/39/02/21/262390221.db2.gz ILDUQMPCSDTLHJ-XHSDSOJGSA-N 0 3 298.411 3.200 40 0 CGABHN Brc1ccc2[nH]c([C@H]3CCCCN3)nc2c1 ZINC000037441238 275370014 /nfs/dbraw/zinc/37/00/14/275370014.db2.gz IJBISQGUDCIZBL-SNVBAGLBSA-N 0 3 280.169 3.140 40 0 CGABHN Brc1ccc2nc([C@H]3CCCCN3)[nH]c2c1 ZINC000037441238 275370016 /nfs/dbraw/zinc/37/00/16/275370016.db2.gz IJBISQGUDCIZBL-SNVBAGLBSA-N 0 3 280.169 3.140 40 0 CGABHN Brc1cc(CNCc2ccccc2)ccn1 ZINC000199827073 333209226 /nfs/dbraw/zinc/20/92/26/333209226.db2.gz FBWJXPZSNUQNRZ-UHFFFAOYSA-N 0 3 277.165 3.134 40 0 CGABHN C/C(=C\c1ccccc1)CN1CC[C@H](c2nccn2C)C1 ZINC000367704557 527533953 /nfs/dbraw/zinc/53/39/53/527533953.db2.gz OXLUPQOMIPTFBA-VMEIHUARSA-N 0 3 281.403 3.313 40 0 CGABHN COCC[C@@H]1CCOC12CCN(Cc1cccs1)CC2 ZINC000585103447 346724687 /nfs/dbraw/zinc/72/46/87/346724687.db2.gz WIUJSUYTNFFUGX-CQSZACIVSA-N 0 3 295.448 3.156 40 0 CGABHN Cc1c(Cl)cccc1NC(=O)[C@H](C)NCC(C)C ZINC000001672757 368430444 /nfs/dbraw/zinc/43/04/44/368430444.db2.gz HAACJDGALSSNNZ-NSHDSACASA-N 0 3 268.788 3.221 40 0 CGABHN COc1ccccc1CNCc1cccc2[nH]ccc21 ZINC000015423477 368695294 /nfs/dbraw/zinc/69/52/94/368695294.db2.gz OOCXVBLAEGSDGZ-UHFFFAOYSA-N 0 3 266.344 3.466 40 0 CGABHN O=C(Nc1ccc2ccccc2c1)N1CCN2CCC[C@@H]2C1 ZINC000027932040 368878016 /nfs/dbraw/zinc/87/80/16/368878016.db2.gz ISFWKBLWTSLAJV-QGZVFWFLSA-N 0 3 295.386 3.152 40 0 CGABHN Cc1ccsc1CN1CCC[C@H](c2ccncn2)C1 ZINC000257312975 190032270 /nfs/dbraw/zinc/03/22/70/190032270.db2.gz UQLZDIIIJHOBSP-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN COCCCN[C@@H](C)c1ccccc1OCC(C)C ZINC000225161558 376297236 /nfs/dbraw/zinc/29/72/36/376297236.db2.gz CQXPHWKUOJNBSB-AWEZNQCLSA-N 0 3 265.397 3.409 40 0 CGABHN Cc1cc(N2CCCCC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223508 256704807 /nfs/dbraw/zinc/70/48/07/256704807.db2.gz FQWFRQZPXNLNGY-SFHVURJKSA-N 0 3 281.403 3.428 40 0 CGABHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](N)c1ccccc1 ZINC000071617716 392192113 /nfs/dbraw/zinc/19/21/13/392192113.db2.gz NZRSPPIHSYBLSO-KBPBESRZSA-N 0 3 276.380 3.086 40 0 CGABHN Cc1cc([C@H]2CCCN2C)cnc1N1CCCCC1 ZINC000072219146 392200244 /nfs/dbraw/zinc/20/02/44/392200244.db2.gz UGSRPJZBSJGSRI-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN CN1CCCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216057 392200694 /nfs/dbraw/zinc/20/06/94/392200694.db2.gz LJQXCTXRIIGVGZ-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN N[C@@H](c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000072225457 392204120 /nfs/dbraw/zinc/20/41/20/392204120.db2.gz HRTMHBLZKHZOPM-KRWDZBQOSA-N 0 3 267.376 3.120 40 0 CGABHN CCN(CC)C1=NC[C@@H](Cc2cccc(C)c2)S1 ZINC000036639829 172644325 /nfs/dbraw/zinc/64/43/25/172644325.db2.gz QAOXYOYXVYSKMX-CQSZACIVSA-N 0 3 262.422 3.351 40 0 CGABHN CC1CCN([C@@H](CN)c2cccc(Cl)c2)CC1 ZINC000038809084 174156121 /nfs/dbraw/zinc/15/61/21/174156121.db2.gz NTEWTZJJAKZOHV-AWEZNQCLSA-N 0 3 252.789 3.072 40 0 CGABHN CN1CCC[C@H](c2cnc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365102 176380217 /nfs/dbraw/zinc/38/02/17/176380217.db2.gz XBXBGNJOTVOKFX-LBPRGKRZSA-N 0 3 289.329 3.231 40 0 CGABHN CO[C@@H]1CCN(Cc2cccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000096217444 274064238 /nfs/dbraw/zinc/06/42/38/274064238.db2.gz JZVDREQPBACFHY-OTWHNJEPSA-N 0 3 297.398 3.218 40 0 CGABHN FC(F)(F)c1[nH]c2ncccc2c1CN1CCCC1 ZINC000019345123 274906196 /nfs/dbraw/zinc/90/61/96/274906196.db2.gz HKNMMXFDPXZFNZ-UHFFFAOYSA-N 0 3 269.270 3.178 40 0 CGABHN CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](N)c1ccccc1 ZINC000072208714 277182871 /nfs/dbraw/zinc/18/28/71/277182871.db2.gz UNGCJHBVTMJSNS-LSDHHAIUSA-N 0 3 290.407 3.476 40 0 CGABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000095534096 185007587 /nfs/dbraw/zinc/00/75/87/185007587.db2.gz OBZLUKSYMSQKPA-AWEZNQCLSA-N 0 3 298.777 3.482 40 0 CGABHN CC(C)OC[C@@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096040494 185068760 /nfs/dbraw/zinc/06/87/60/185068760.db2.gz KDBLBJLALHWEKL-SJORKVTESA-N 0 3 293.407 3.076 40 0 CGABHN CO[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1ccccc1 ZINC000096061570 185082633 /nfs/dbraw/zinc/08/26/33/185082633.db2.gz IXNKRHQVLRWBBO-DLBZAZTESA-N 0 3 271.360 3.112 40 0 CGABHN CO[C@H]1COC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000096106534 185099007 /nfs/dbraw/zinc/09/90/07/185099007.db2.gz JOXPACFJMMKUIV-OAHLLOKOSA-N 0 3 295.810 3.110 40 0 CGABHN COCC[C@H]1Cn2cccc2CN(Cc2cccs2)C1 ZINC000585094638 346724315 /nfs/dbraw/zinc/72/43/15/346724315.db2.gz BVZLFNAXKMZELZ-CQSZACIVSA-N 0 3 290.432 3.218 40 0 CGABHN CC[C@@H](C)Oc1cccc([C@@H](C)NCCOC)c1 ZINC000225166433 189745269 /nfs/dbraw/zinc/74/52/69/189745269.db2.gz WGJOCJASYBSMEE-CHWSQXEVSA-N 0 3 251.370 3.161 40 0 CGABHN CCN(CC)CCC(=O)c1cnc(-c2ccccc2)nc1C ZINC000001593986 368421932 /nfs/dbraw/zinc/42/19/32/368421932.db2.gz NIXOBOXTTJWHFE-UHFFFAOYSA-N 0 3 297.402 3.367 40 0 CGABHN CN[C@@H](Cc1ccccc1)c1cccc(OC)c1OC ZINC000001667131 368428781 /nfs/dbraw/zinc/42/87/81/368428781.db2.gz JTFSNJPJULQHQZ-HNNXBMFYSA-N 0 3 271.360 3.207 40 0 CGABHN CC[C@@H]1C[C@@H](CNC(=O)OCCN(CC)CC)C1(C)C ZINC000004191305 368535393 /nfs/dbraw/zinc/53/53/93/368535393.db2.gz CZZWABSJFGCIPD-KGLIPLIRSA-N 0 3 284.444 3.127 40 0 CGABHN CC[C@H]1CNCc2cc3c(C)ccc(C)c3nc2O1 ZINC000019500972 368755455 /nfs/dbraw/zinc/75/54/55/368755455.db2.gz BFHWERLRXTWOMP-ZDUSSCGKSA-N 0 3 256.349 3.112 40 0 CGABHN CCN(C)c1ncccc1[C@H]1CCCCN1C(C)C ZINC000072212797 284371745 /nfs/dbraw/zinc/37/17/45/284371745.db2.gz GTNUDNWEMKHOOK-OAHLLOKOSA-N 0 3 261.413 3.473 40 0 CGABHN Cc1c[nH]c(-c2cc([C@H]3CCCN(C(C)C)C3)nc(C)n2)n1 ZINC000257242902 190018511 /nfs/dbraw/zinc/01/85/11/190018511.db2.gz IEQVQIXAXBXMQB-AWEZNQCLSA-N 0 3 299.422 3.071 40 0 CGABHN Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCCN2C)n1 ZINC000257291623 190027457 /nfs/dbraw/zinc/02/74/57/190027457.db2.gz QHXCLEGMLNFYJN-INIZCTEOSA-N 0 3 299.422 3.386 40 0 CGABHN Cc1ccc(-c2ccc3nnc([C@H](N)C(C)C)n3n2)cc1C ZINC000217564616 376176256 /nfs/dbraw/zinc/17/62/56/376176256.db2.gz KNYKFWICDNDELN-MRXNPFEDSA-N 0 3 295.390 3.064 40 0 CGABHN CCc1ccc(CNCc2ccc(OC)cc2)n1CC ZINC000226019803 376338590 /nfs/dbraw/zinc/33/85/90/376338590.db2.gz DTZIUSWLZYFKGL-UHFFFAOYSA-N 0 3 272.392 3.369 40 0 CGABHN CCC[C@@H](NCc1cnc(NC)nc1)c1ccccc1 ZINC000062717475 392133191 /nfs/dbraw/zinc/13/31/91/392133191.db2.gz JWRZXRNRNVRMRB-OAHLLOKOSA-N 0 3 270.380 3.149 40 0 CGABHN CNc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212465 392196866 /nfs/dbraw/zinc/19/68/66/392196866.db2.gz TUZPLAISOKKPDJ-INIZCTEOSA-N 0 3 267.376 3.460 40 0 CGABHN CCN(CC)Cc1cc(Cl)cc2c1OCOC2 ZINC000005469676 170102421 /nfs/dbraw/zinc/10/24/21/170102421.db2.gz ZKEHJEAYDMTUAM-UHFFFAOYSA-N 0 3 255.745 3.048 40 0 CGABHN C[C@@H]1CCCCN1CCCOc1cccc(C=O)c1 ZINC000009261536 170369430 /nfs/dbraw/zinc/36/94/30/170369430.db2.gz SWKWGFBTWXHGIY-CQSZACIVSA-N 0 3 261.365 3.142 40 0 CGABHN COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1 ZINC000022441784 171387658 /nfs/dbraw/zinc/38/76/58/171387658.db2.gz DTQNEFOKTXXQKV-HKUYNNGSSA-N 0 3 296.414 3.278 40 0 in-vivo CGABHN CCN1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215939 276161261 /nfs/dbraw/zinc/16/12/61/276161261.db2.gz PXXDHXKVNXMYAS-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN CN1Cc2ccccc2C2(CCN(c3nccs3)CC2)C1 ZINC000096079518 277209050 /nfs/dbraw/zinc/20/90/50/277209050.db2.gz DUCFMLGSHFIVJQ-UHFFFAOYSA-N 0 3 299.443 3.127 40 0 CGABHN CC(C)n1ncc2c1-c1ccccc1OC21CCN(C)CC1 ZINC000306139201 278143493 /nfs/dbraw/zinc/14/34/93/278143493.db2.gz SRYZJQSGUGSXDO-UHFFFAOYSA-N 0 3 297.402 3.444 40 0 CGABHN NC[C@H](c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000039034761 295264512 /nfs/dbraw/zinc/26/45/12/295264512.db2.gz HBJAYMKRBXGOEG-GFCCVEGCSA-N 0 3 273.207 3.479 40 0 CGABHN CCn1cc(Cc2ccccc2C(F)(F)F)nc1N ZINC000199550110 567906123 /nfs/dbraw/zinc/90/61/23/567906123.db2.gz WZTBQCHZTUNGJQ-UHFFFAOYSA-N 0 3 269.270 3.095 40 0 CGABHN N[C@H](c1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccccc1 ZINC000095533400 185005620 /nfs/dbraw/zinc/00/56/20/185005620.db2.gz SEXBYBLWKZOTQO-ZDUSSCGKSA-N 0 3 284.750 3.173 40 0 CGABHN C[C@H]1Cc2cc(C(=O)CCN3CCCCC3)ccc2O1 ZINC000001455732 368414381 /nfs/dbraw/zinc/41/43/81/368414381.db2.gz QPGYWRMEPJZZQJ-ZDUSSCGKSA-N 0 3 273.376 3.069 40 0 CGABHN CN1CC[C@@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000003638058 368515980 /nfs/dbraw/zinc/51/59/80/368515980.db2.gz MGXCSSMKOVWQDN-QGZVFWFLSA-N 0 3 267.372 3.497 40 0 CGABHN CN1C=C[C@@H](C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005519226 368563792 /nfs/dbraw/zinc/56/37/92/368563792.db2.gz HLSVCEOMZDFUDB-GOSISDBHSA-N 0 3 279.383 3.388 40 0 CGABHN O=C(Nc1ccc2ccccc2c1)N1CCN2CCC[C@H]2C1 ZINC000027932045 368878486 /nfs/dbraw/zinc/87/84/86/368878486.db2.gz ISFWKBLWTSLAJV-KRWDZBQOSA-N 0 3 295.386 3.152 40 0 CGABHN c1cc(OC2CCCC2)ccc1CNC[C@H]1CCCO1 ZINC000032121897 368926470 /nfs/dbraw/zinc/92/64/70/368926470.db2.gz WYJXBTDWRSIQSM-QGZVFWFLSA-N 0 3 275.392 3.277 40 0 CGABHN N=C1NC[C@@H]2c3ccccc3Cc3cc(Cl)ccc3N12 ZINC000038600351 369147919 /nfs/dbraw/zinc/14/79/19/369147919.db2.gz OHOWXEDRJQSBEY-OAHLLOKOSA-N 0 3 283.762 3.330 40 0 in-vitro CGABHN Cc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)s1 ZINC000096255076 370209291 /nfs/dbraw/zinc/20/92/91/370209291.db2.gz MSECAGKKZZKFSM-UHFFFAOYSA-N 0 3 299.443 3.325 40 0 CGABHN CN1CC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257232452 190017017 /nfs/dbraw/zinc/01/70/17/190017017.db2.gz GKXJGAULUOJUKA-GFCCVEGCSA-N 0 3 276.767 3.338 40 0 CGABHN Cc1cc(C)nc([C@H]2CCN(Cc3cccs3)C2)n1 ZINC000257254970 190020761 /nfs/dbraw/zinc/02/07/61/190020761.db2.gz KFNUVPBWFUJSBJ-ZDUSSCGKSA-N 0 3 273.405 3.144 40 0 CGABHN COCCNCc1cc(C)n([C@@H](C)c2ccccc2)c1C ZINC000223677819 376259161 /nfs/dbraw/zinc/25/91/61/376259161.db2.gz XQOMGKCDINYGMN-HNNXBMFYSA-N 0 3 286.419 3.450 40 0 CGABHN CC(C)(C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225592030 376315855 /nfs/dbraw/zinc/31/58/55/376315855.db2.gz HYPXHMQKDSZCGT-UHFFFAOYSA-N 0 3 290.407 3.146 40 0 CGABHN CCCCCCNCc1cnc(SCC)nc1 ZINC000062717300 392133142 /nfs/dbraw/zinc/13/31/42/392133142.db2.gz ZNSRMFVCEMELAR-UHFFFAOYSA-N 0 3 253.415 3.259 40 0 CGABHN Nc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072212386 392197411 /nfs/dbraw/zinc/19/74/11/392197411.db2.gz CVOIMRCRDZMQJN-MRXNPFEDSA-N 0 3 267.376 3.391 40 0 CGABHN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C)cn1 ZINC000072214424 392198469 /nfs/dbraw/zinc/19/84/69/392198469.db2.gz MYMSUWGPGPWQLF-CYBMUJFWSA-N 0 3 291.395 3.220 40 0 CGABHN CC(C)n1nccc1-c1nccnc1[C@@H]1CCCN1C(C)C ZINC000257207650 393135676 /nfs/dbraw/zinc/13/56/76/393135676.db2.gz BIQBVCJYFUWIEV-AWEZNQCLSA-N 0 3 299.422 3.466 40 0 CGABHN Cc1cccc2cc(CNC[C@@H]3CCCO3)c(Cl)nc12 ZINC000004890453 170036496 /nfs/dbraw/zinc/03/64/96/170036496.db2.gz FDGBKQZAMYTEPR-AWEZNQCLSA-N 0 3 290.794 3.465 40 0 CGABHN C[C@H](c1ccccc1O)[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000004973171 170047211 /nfs/dbraw/zinc/04/72/11/170047211.db2.gz FJVDFCKYRXBJGP-ZOBUZTSGSA-N 0 3 289.419 3.387 40 0 CGABHN CCN(CCOC)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005700952 170130907 /nfs/dbraw/zinc/13/09/07/170130907.db2.gz IVITUNMAUPXSGV-RTBURBONSA-N 0 3 299.414 3.430 40 0 CGABHN Cc1cc(NC(=O)Nc2cccc(Cl)c2)n[nH]1 ZINC000006412797 170199381 /nfs/dbraw/zinc/19/93/81/170199381.db2.gz SGOKDVPPTKUNGB-UHFFFAOYSA-N 0 3 250.689 3.016 40 0 CGABHN NC[C@H](c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000037424782 173198910 /nfs/dbraw/zinc/19/89/10/173198910.db2.gz DXKINZKWOBCHAU-CYBMUJFWSA-N 0 3 273.207 3.479 40 0 CGABHN C[C@@H]1C[C@@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722806 297259569 /nfs/dbraw/zinc/25/95/69/297259569.db2.gz XVHAIQLVLSSAMN-ZYHUDNBSSA-N 0 3 262.353 3.220 40 0 CGABHN C[C@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722802 300496167 /nfs/dbraw/zinc/49/61/67/300496167.db2.gz XVHAIQLVLSSAMN-JQWIXIFHSA-N 0 3 262.353 3.220 40 0 CGABHN CC(C)(C)c1noc([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000019084645 368744382 /nfs/dbraw/zinc/74/43/82/368744382.db2.gz CGEOFBNCCLZOMH-AWEZNQCLSA-N 0 3 285.391 3.357 40 0 CGABHN Fc1cccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019293862 368748159 /nfs/dbraw/zinc/74/81/59/368748159.db2.gz QHYFKHXCSPBMPG-YXJHDRRASA-N 0 3 288.410 3.132 40 0 CGABHN CCOc1cc(Cl)c(CNCC(C)C)cc1OC ZINC000036612884 369023416 /nfs/dbraw/zinc/02/34/16/369023416.db2.gz AKBGZIGJTXADMJ-UHFFFAOYSA-N 0 3 271.788 3.493 40 0 CGABHN Cc1ccc(CN2CCC[C@H](c3cnccn3)C2)s1 ZINC000257242797 190018904 /nfs/dbraw/zinc/01/89/04/190018904.db2.gz IEEKJXFVDBCRPK-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1nccc([C@@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000257278239 190025488 /nfs/dbraw/zinc/02/54/88/190025488.db2.gz OBKQJYRHCAUSSP-CQSZACIVSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1ccsc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000257312974 190031795 /nfs/dbraw/zinc/03/17/95/190031795.db2.gz UQLZDIIIJHOBSP-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN COc1ccc(CNCc2ccc(Cc3ccco3)[nH]2)cc1 ZINC000226021228 376338568 /nfs/dbraw/zinc/33/85/68/376338568.db2.gz ZMRRTVDDXYCRDO-UHFFFAOYSA-N 0 3 296.370 3.497 40 0 CGABHN CC[C@H](C)Oc1ccc([C@@H](C)NCCOC)cc1 ZINC000225169715 376296541 /nfs/dbraw/zinc/29/65/41/376296541.db2.gz PEMSCOJQOXXGFM-QWHCGFSZSA-N 0 3 251.370 3.161 40 0 CGABHN C[C@@H]1CCCN([C@H](CN)c2ccccc2C(F)(F)F)C1 ZINC000242648493 376783107 /nfs/dbraw/zinc/78/31/07/376783107.db2.gz QXBLZPZKYKSHMT-BXUZGUMPSA-N 0 3 286.341 3.437 40 0 CGABHN CSc1ncc(CNCCC2=CCCCC2)cn1 ZINC000062717254 392133763 /nfs/dbraw/zinc/13/37/63/392133763.db2.gz STZZTEJYQXOIOE-UHFFFAOYSA-N 0 3 263.410 3.179 40 0 CGABHN Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1C ZINC000072219266 392200421 /nfs/dbraw/zinc/20/04/21/392200421.db2.gz CAFCKPSWNPUCGJ-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1NC(C)C ZINC000072221975 392201533 /nfs/dbraw/zinc/20/15/33/392201533.db2.gz ZMMVBXABBUJKCM-HNNXBMFYSA-N 0 3 255.365 3.258 40 0 CGABHN CC(C)N(Cc1cccc(Cl)c1Cl)C(=O)[C@H](C)N ZINC000079420943 392220666 /nfs/dbraw/zinc/22/06/66/392220666.db2.gz XWDULXRPBMHTDO-VIFPVBQESA-N 0 3 289.206 3.078 40 0 CGABHN CCOc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 ZINC000072209126 397640001 /nfs/dbraw/zinc/64/00/01/397640001.db2.gz LFCZCKNFRHPTNB-LLVKDONJSA-N 0 3 293.754 3.213 40 0 CGABHN CN1CCC[C@@H](NC(c2ccccc2)c2ccccc2)C1 ZINC000022036244 171350093 /nfs/dbraw/zinc/35/00/93/171350093.db2.gz AFLDZXAGUXBOJE-GOSISDBHSA-N 0 3 280.415 3.460 40 0 CGABHN CC[C@@H](C)[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441209 173211224 /nfs/dbraw/zinc/21/12/24/173211224.db2.gz PURFUQMZTZSMDZ-HQJQHLMTSA-N 0 3 282.185 3.371 40 0 CGABHN CC[C@@H](C)[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441209 173211225 /nfs/dbraw/zinc/21/12/25/173211225.db2.gz PURFUQMZTZSMDZ-HQJQHLMTSA-N 0 3 282.185 3.371 40 0 CGABHN CCOc1ccccc1CN1CCC[C@H]1c1[nH]ncc1C ZINC000072366785 176381915 /nfs/dbraw/zinc/38/19/15/176381915.db2.gz NVUBOZCBORIQIZ-HNNXBMFYSA-N 0 3 285.391 3.454 40 0 CGABHN Cc1ccsc1CN1CCC[C@H](c2cnccn2)C1 ZINC000072369370 176384156 /nfs/dbraw/zinc/38/41/56/176384156.db2.gz SXQZXDHIDRAXMO-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C)n1 ZINC000072379097 176385490 /nfs/dbraw/zinc/38/54/90/176385490.db2.gz ADGHBWSYUQICKE-AWEZNQCLSA-N 0 3 270.380 3.157 40 0 CGABHN Cc1cccc(CN2CCC[C@@H](Cc3cccnc3)C2)n1 ZINC000072385805 176390369 /nfs/dbraw/zinc/39/03/69/176390369.db2.gz VNIBATRLJZRPJX-KRWDZBQOSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1cnc(Nc2cccc([C@H]3CCCN(C)C3)n2)s1 ZINC000585262535 346726069 /nfs/dbraw/zinc/72/60/69/346726069.db2.gz DHONIPVBMFPLAY-LBPRGKRZSA-N 0 3 288.420 3.399 40 0 CGABHN C=C(NCCc1ccccc1)NCc1ccccc1 ZINC000584577509 346684469 /nfs/dbraw/zinc/68/44/69/346684469.db2.gz LBEXNHHBEQRDHZ-UHFFFAOYSA-N 0 3 252.361 3.080 40 0 CGABHN CCOC(=O)c1c2cc(OC)ccc2oc1CNC(C)C ZINC000000036656 368274420 /nfs/dbraw/zinc/27/44/20/368274420.db2.gz FQSMXRNXIIQNNX-UHFFFAOYSA-N 0 3 291.347 3.116 40 0 CGABHN COC(=O)/C(=C\c1ccccc1)CN1CCCC[C@@H]1C ZINC000001759960 368438030 /nfs/dbraw/zinc/43/80/30/368438030.db2.gz CYTSEDNEUSSRPV-QXPQOBGOSA-N 0 3 273.376 3.117 40 0 CGABHN CN1CCO[C@H](c2ccccc2)c2ccsc2CC1 ZINC000005759113 368565129 /nfs/dbraw/zinc/56/51/29/368565129.db2.gz JEJCTUDPUWAFQR-MRXNPFEDSA-N 0 3 273.401 3.342 40 0 CGABHN CC[C@H]1CNCc2cc3cc(C)cc(C)c3nc2O1 ZINC000019500976 368755507 /nfs/dbraw/zinc/75/55/07/368755507.db2.gz MVNGWVPNWIFKEI-AWEZNQCLSA-N 0 3 256.349 3.112 40 0 CGABHN NC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000037424721 369085045 /nfs/dbraw/zinc/08/50/45/369085045.db2.gz ILAKADBIJAKXKR-LBPRGKRZSA-N 0 3 259.180 3.089 40 0 CGABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4ccncc4)C3)nc2c1 ZINC000049169015 369391260 /nfs/dbraw/zinc/39/12/60/369391260.db2.gz WJWWJDLOGZKUDN-ZDUSSCGKSA-N 0 3 296.349 3.087 40 0 biogenic,in-vitro CGABHN Fc1cccc2c1NCC21CCN(Cc2cccnc2)CC1 ZINC000096261776 370208592 /nfs/dbraw/zinc/20/85/92/370208592.db2.gz ZSLFRMNHKTXFCA-UHFFFAOYSA-N 0 3 297.377 3.180 40 0 CGABHN N[C@@H]1C=C(C(F)(F)F)NC=C1c1ccc(Cl)cc1 ZINC000101027456 370285959 /nfs/dbraw/zinc/28/59/59/370285959.db2.gz PZBXEAVBSGAFGA-SNVBAGLBSA-N 0 3 274.673 3.058 40 0 CGABHN CN1CCC[C@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306136606 374127707 /nfs/dbraw/zinc/12/77/07/374127707.db2.gz PXZUHTAOXJWPOH-ZDUSSCGKSA-N 0 3 298.415 3.267 40 0 CGABHN CC(C)n1nccc1-c1cccc([C@H]2CCCN(C)C2)n1 ZINC000257214585 190012957 /nfs/dbraw/zinc/01/29/57/190012957.db2.gz CMOARKOIDLTJDJ-AWEZNQCLSA-N 0 3 284.407 3.335 40 0 CGABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1cccc(C)n1 ZINC000257217633 190014269 /nfs/dbraw/zinc/01/42/69/190014269.db2.gz CZWFJBAXHREUQL-HNNXBMFYSA-N 0 3 270.380 3.149 40 0 CGABHN CC(C)CN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484487 376312732 /nfs/dbraw/zinc/31/27/32/376312732.db2.gz KAUJOPPNCZXBMM-AWEZNQCLSA-N 0 3 292.354 3.013 40 0 biogenic,in-vitro CGABHN CN1CCC(Oc2ccc(NC(=O)C(C)(C)C)cc2)CC1 ZINC000224599349 376284165 /nfs/dbraw/zinc/28/41/65/376284165.db2.gz MTBNGFWZPBOVEB-UHFFFAOYSA-N 0 3 290.407 3.144 40 0 CGABHN CN(C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072212645 392198988 /nfs/dbraw/zinc/19/89/88/392198988.db2.gz QCIWXTBIAIUAHA-KRWDZBQOSA-N 0 3 281.403 3.485 40 0 CGABHN CCN1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216034 392200505 /nfs/dbraw/zinc/20/05/05/392200505.db2.gz IXTPLFKJESMBKL-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1cc(NC(C)C)ncc1[C@@H](N)c1ccccc1 ZINC000072223014 392203174 /nfs/dbraw/zinc/20/31/74/392203174.db2.gz LRDUUQMYSPWMKG-INIZCTEOSA-N 0 3 255.365 3.258 40 0 CGABHN CN(C)CC[C@@](O)(Cc1ccccc1)c1ccccc1 ZINC000006437075 170201455 /nfs/dbraw/zinc/20/14/55/170201455.db2.gz DWURDFRXEBBVGU-GOSISDBHSA-N 0 3 269.388 3.069 40 0 CGABHN CCNCc1cccc(OC)c1OCc1ccccc1 ZINC000006497342 170206942 /nfs/dbraw/zinc/20/69/42/170206942.db2.gz XBBIWAPCOIUKMF-UHFFFAOYSA-N 0 3 271.360 3.384 40 0 CGABHN [O-]c1ccc(C[NH2+]C2CCCCC2)c2cccnc12 ZINC000006815917 170246250 /nfs/dbraw/zinc/24/62/50/170246250.db2.gz SSQATEUQFHACCN-UHFFFAOYSA-N 0 3 256.349 3.363 40 0 CGABHN c1ccc(OC2CCCC2)c(CNC[C@@H]2CCCO2)c1 ZINC000032121892 171712338 /nfs/dbraw/zinc/71/23/38/171712338.db2.gz MOYXOQRYIBBDPB-INIZCTEOSA-N 0 3 275.392 3.277 40 0 CGABHN NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000038809041 174156694 /nfs/dbraw/zinc/15/66/94/174156694.db2.gz DDEHZTKEVRKRDX-CYBMUJFWSA-N 0 3 273.207 3.479 40 0 CGABHN CN1CCC[C@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000072364719 176379655 /nfs/dbraw/zinc/37/96/55/176379655.db2.gz HOHMQSMIZHSTHM-AWEZNQCLSA-N 0 3 268.364 3.029 40 0 CGABHN Cc1cc([C@@H]2CCCN(Cc3ccncc3)C2)ccn1 ZINC000072367931 176382237 /nfs/dbraw/zinc/38/22/37/176382237.db2.gz XKZLGHCNPWKEQT-QGZVFWFLSA-N 0 3 267.376 3.165 40 0 CGABHN CN1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367693 176382666 /nfs/dbraw/zinc/38/26/66/176382666.db2.gz LNTYSVLORHGMFI-LLVKDONJSA-N 0 3 274.393 3.091 40 0 CGABHN COc1cccc(C=O)c1OCCN1[C@@H](C)CCC[C@@H]1C ZINC000217787836 262344513 /nfs/dbraw/zinc/34/45/13/262344513.db2.gz QENPFQRUWYTOOE-KBPBESRZSA-N 0 3 291.391 3.149 40 0 CGABHN c1cnc(N2CCCCCC2)c([C@H]2CCCCN2)c1 ZINC000072216715 304860116 /nfs/dbraw/zinc/86/01/16/304860116.db2.gz ADUHBQUBSLKFLW-OAHLLOKOSA-N 0 3 259.397 3.277 40 0 CGABHN CC(C)OC[C@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096040495 185068980 /nfs/dbraw/zinc/06/89/80/185068980.db2.gz KDBLBJLALHWEKL-IAGOWNOFSA-N 0 3 293.407 3.076 40 0 CGABHN Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)cc1C ZINC000226218674 346306674 /nfs/dbraw/zinc/30/66/74/346306674.db2.gz LMUPDUKNHVUTQI-UHFFFAOYSA-N 0 3 295.430 3.208 40 0 CGABHN CN(C)c1ccc2c(c1)S[C@@H]1CC(=N)CC[C@H]1N2 ZINC000604940883 348138888 /nfs/dbraw/zinc/13/88/88/348138888.db2.gz AVOGIHRAPDCQKW-DGCLKSJQSA-N 0 3 261.394 3.211 40 0 CGABHN CC[C@@H](C)[C@H](C(=O)OC1CCN(C)CC1)c1ccccc1 ZINC000000000594 368269515 /nfs/dbraw/zinc/26/95/15/368269515.db2.gz UKQYEYCQIQBHBC-PBHICJAKSA-N 0 3 289.419 3.454 40 0 in-man CGABHN CN(C)[C@@H]1Cc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001568910 368419068 /nfs/dbraw/zinc/41/90/68/368419068.db2.gz XHYXVRAZPBSVMR-IAGOWNOFSA-N 0 3 281.355 3.071 40 0 CGABHN COCCN(C)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667044 368427983 /nfs/dbraw/zinc/42/79/83/368427983.db2.gz HSDWGNMSFYTZSY-QZTJIDSGSA-N 0 3 285.387 3.040 40 0 CGABHN COc1ccc([C@H](O)CN2CCCCC2)c2c1CCCC2 ZINC000001683262 368431649 /nfs/dbraw/zinc/43/16/49/368431649.db2.gz YLJPRVSNUIQZAV-QGZVFWFLSA-N 0 3 289.419 3.093 40 0 CGABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCCC1 ZINC000002694453 368473154 /nfs/dbraw/zinc/47/31/54/368473154.db2.gz KCXDJIWVKTZZAH-CABCVRRESA-N 0 3 277.408 3.036 40 0 CGABHN COc1ccc2cc(Br)ccc2c1CN ZINC000004228061 368538520 /nfs/dbraw/zinc/53/85/20/368538520.db2.gz SGEOGQKWUNGCNT-UHFFFAOYSA-N 0 3 266.138 3.070 40 0 CGABHN c1csc(CN2CCC(n3cnc4cccnc43)CC2)c1 ZINC000012114637 368603153 /nfs/dbraw/zinc/60/31/53/368603153.db2.gz UDLAEKTWRGKVCU-UHFFFAOYSA-N 0 3 298.415 3.330 40 0 CGABHN Cc1ccc(OC[C@H](O)CN2CCCC2)c(C(C)(C)C)c1 ZINC000026781113 368863798 /nfs/dbraw/zinc/86/37/98/368863798.db2.gz RQDWJXHTEFYTDU-OAHLLOKOSA-N 0 3 291.435 3.128 40 0 CGABHN N[C@@H](c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000055205691 369513162 /nfs/dbraw/zinc/51/31/62/369513162.db2.gz LQWFYKWWZGFHBJ-LBPRGKRZSA-N 0 3 252.239 3.149 40 0 CGABHN CC(C)c1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000074920997 369890331 /nfs/dbraw/zinc/89/03/31/369890331.db2.gz FEOCMUQEVZKELP-UHFFFAOYSA-N 0 3 274.408 3.480 40 0 CGABHN CN1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000082337874 370002112 /nfs/dbraw/zinc/00/21/12/370002112.db2.gz HHUIMFXANRBIGA-VIFPVBQESA-N 0 3 287.190 3.274 40 0 CGABHN CC[C@H](C)n1nccc1CNCCc1cccc(OC)c1 ZINC000256055165 190005649 /nfs/dbraw/zinc/00/56/49/190005649.db2.gz ZMZCMJMFAQDXGE-AWEZNQCLSA-N 0 3 287.407 3.195 40 0 CGABHN Cc1nccc([C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000257217596 190014050 /nfs/dbraw/zinc/01/40/50/190014050.db2.gz CZQSDIBZZFXGSG-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN CC(C)c1nccn1-c1ccnc([C@@H]2CCCN(C)C2)c1 ZINC000257293099 190028379 /nfs/dbraw/zinc/02/83/79/190028379.db2.gz QOCNTJMKSXSVGV-CQSZACIVSA-N 0 3 284.407 3.200 40 0 CGABHN Cc1nc(NC(C)C)ccc1[C@@H](N)c1ccccc1 ZINC000072224056 256705343 /nfs/dbraw/zinc/70/53/43/256705343.db2.gz GCEVYSPBIHOVSA-INIZCTEOSA-N 0 3 255.365 3.258 40 0 CGABHN CN(C)C[C@@H](O)c1ccc2oc3ccccc3c2c1 ZINC000002004267 391913716 /nfs/dbraw/zinc/91/37/16/391913716.db2.gz WBDAUDFPTHOOIE-CQSZACIVSA-N 0 3 255.317 3.181 40 0 CGABHN CN(C)CCOc1ccc(/C=C\c2ccccn2)cc1 ZINC000004962006 391922883 /nfs/dbraw/zinc/92/28/83/391922883.db2.gz MWPSXBFRULQESJ-TWGQIWQCSA-N 0 3 268.360 3.192 40 0 CGABHN CC(C)OC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096040496 392245451 /nfs/dbraw/zinc/24/54/51/392245451.db2.gz KDBLBJLALHWEKL-IRXDYDNUSA-N 0 3 293.407 3.076 40 0 CGABHN Cc1cn(C)c([C@@H]2CCCN2CCc2ccccc2)n1 ZINC000257322535 393135952 /nfs/dbraw/zinc/13/59/52/393135952.db2.gz WGJQSMDJEPZDEN-INIZCTEOSA-N 0 3 269.392 3.108 40 0 CGABHN Cc1ccc(CN(CCN(C)C)Cc2ccncc2)cc1C ZINC000023247739 292098414 /nfs/dbraw/zinc/09/84/14/292098414.db2.gz WMTXXHIFEBNRMV-UHFFFAOYSA-N 0 3 297.446 3.262 40 0 CGABHN C[C@H](COCc1ccccc1)NCc1ccccc1 ZINC000006443086 170201757 /nfs/dbraw/zinc/20/17/57/170201757.db2.gz JFNYLCUFOQTHFC-OAHLLOKOSA-N 0 3 255.361 3.382 40 0 CGABHN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C)C3)n2)n1 ZINC000072359943 176377016 /nfs/dbraw/zinc/37/70/16/176377016.db2.gz PLYRWKFUGQZMGC-CQSZACIVSA-N 0 3 297.406 3.041 40 0 CGABHN CN1CCC[C@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072365069 176379990 /nfs/dbraw/zinc/37/99/90/176379990.db2.gz WXGXKTHHXUBWTB-ZDUSSCGKSA-N 0 3 269.348 3.078 40 0 CGABHN Cc1ccc(Nc2nccc([C@@H]3CCCN3C(C)C)n2)nc1 ZINC000072377454 176385762 /nfs/dbraw/zinc/38/57/62/176385762.db2.gz NLATYIRTCIFXSN-HNNXBMFYSA-N 0 3 297.406 3.469 40 0 CGABHN Cc1cc(C)nc([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000072384955 176388747 /nfs/dbraw/zinc/38/87/47/176388747.db2.gz FLVPXSIIJIMHOM-INIZCTEOSA-N 0 3 267.376 3.083 40 0 CGABHN Cc1cccc(CN2CCC[C@@H](Cc3ccccn3)C2)n1 ZINC000072385807 176390595 /nfs/dbraw/zinc/39/05/95/176390595.db2.gz VRCTUQZEIJFFRV-INIZCTEOSA-N 0 3 281.403 3.240 40 0 CGABHN CCCNc1ncc(CNCCC2=CCCCC2)cn1 ZINC000062717720 262302418 /nfs/dbraw/zinc/30/24/18/262302418.db2.gz OBXABSTUSQSGLP-UHFFFAOYSA-N 0 3 274.412 3.279 40 0 CGABHN Brc1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000053335631 275368806 /nfs/dbraw/zinc/36/88/06/275368806.db2.gz DJBBHLWKRYLCTG-UHFFFAOYSA-N 0 3 295.205 3.218 40 0 CGABHN CC1(C)Cc2ccccc2C(CCN2CCCC2)=N1 ZINC000005415302 275873642 /nfs/dbraw/zinc/87/36/42/275873642.db2.gz QNLIKAGCOMHHCO-UHFFFAOYSA-N 0 3 256.393 3.296 40 0 CGABHN CCN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215938 276158050 /nfs/dbraw/zinc/15/80/50/276158050.db2.gz PXXDHXKVNXMYAS-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1nc(CCN[C@@H](C)c2cnc(C)nc2C)sc1C ZINC000127723405 187329233 /nfs/dbraw/zinc/32/92/33/187329233.db2.gz GXYVFLUMLJYVNC-JTQLQIEISA-N 0 3 290.436 3.060 40 0 CGABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1cccs1)C2 ZINC000096056794 185077149 /nfs/dbraw/zinc/07/71/49/185077149.db2.gz NLEXSHPMPYXTBJ-JKSUJKDBSA-N 0 3 295.448 3.156 40 0 CGABHN COCCN[C@@H](C)c1cccc(OC2CCCC2)c1 ZINC000225166250 189744846 /nfs/dbraw/zinc/74/48/46/189744846.db2.gz AFTNZORYFQGHHF-ZDUSSCGKSA-N 0 3 263.381 3.305 40 0 CGABHN CCOC(=O)C[C@H](c1ccccc1)N1CCCCC1 ZINC000001569349 368419147 /nfs/dbraw/zinc/41/91/47/368419147.db2.gz WTRSETHGBYJVQN-OAHLLOKOSA-N 0 3 261.365 3.167 40 0 CGABHN CCOC(=O)CCNC(c1ccccc1)c1ccccc1 ZINC000036984852 369044981 /nfs/dbraw/zinc/04/49/81/369044981.db2.gz OYZYPJYAYKNETP-UHFFFAOYSA-N 0 3 283.371 3.319 40 0 CGABHN CC(C)Oc1cccc(C2(O)CCN(C(C)C)CC2)c1 ZINC000079030447 369960441 /nfs/dbraw/zinc/96/04/41/369960441.db2.gz HHBXPAYLQCJGMW-UHFFFAOYSA-N 0 3 277.408 3.166 40 0 CGABHN NC[C@H](c1ccccc1C(F)(F)F)N1CCCCC1 ZINC000095532267 370201561 /nfs/dbraw/zinc/20/15/61/370201561.db2.gz FIAVDFDUQDGAHI-CYBMUJFWSA-N 0 3 272.314 3.191 40 0 CGABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2cccc(C)n2)o1 ZINC000096184673 370206578 /nfs/dbraw/zinc/20/65/78/370206578.db2.gz VLWWFIYDAHQFPC-SJORKVTESA-N 0 3 297.402 3.145 40 0 CGABHN CC1=C[C@H](C)[C@@H]([C@@H]2OC[C@H](CN3CCCC3)O2)[C@H](C)C1 ZINC000102677228 370307968 /nfs/dbraw/zinc/30/79/68/370307968.db2.gz FTLAMGAOAHIHBM-DMRKSPOLSA-N 0 3 279.424 3.062 40 0 CGABHN Cc1nccc([C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000257217597 190014246 /nfs/dbraw/zinc/01/42/46/190014246.db2.gz CZQSDIBZZFXGSG-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN COCCNCc1cccn1-c1cc(Cl)ccc1C ZINC000223687002 376259362 /nfs/dbraw/zinc/25/93/62/376259362.db2.gz UBWZVQRTWAQDGD-UHFFFAOYSA-N 0 3 278.783 3.175 40 0 CGABHN Cc1c[nH]c([C@@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000257330722 377795227 /nfs/dbraw/zinc/79/52/27/377795227.db2.gz XPPWJNYWVFTHQZ-CYBMUJFWSA-N 0 3 261.394 3.159 40 0 CGABHN Clc1ccc(-c2n[nH]c3c2CNCC3)c(Cl)c1 ZINC000020221837 391939446 /nfs/dbraw/zinc/93/94/46/391939446.db2.gz AIEMSUWXXAMAAV-UHFFFAOYSA-N 0 3 268.147 3.029 40 0 CGABHN CCCNc1ccc([C@H](N)c2ccccc2)c(C)n1 ZINC000072224260 392203316 /nfs/dbraw/zinc/20/33/16/392203316.db2.gz PTAQDIZNLUYFEE-MRXNPFEDSA-N 0 3 255.365 3.260 40 0 CGABHN COCCNCc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000113704068 392384623 /nfs/dbraw/zinc/38/46/23/392384623.db2.gz WPOZZUVGLHZBDA-UHFFFAOYSA-N 0 3 298.308 3.232 40 0 CGABHN C[C@H]1Cc2cc(C(=O)CCN3CCCCCC3)ccc2O1 ZINC000005534414 170110107 /nfs/dbraw/zinc/11/01/07/170110107.db2.gz BWMLSSGLIVWADJ-AWEZNQCLSA-N 0 3 287.403 3.459 40 0 CGABHN CCC(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccccn1 ZINC000005836953 170145343 /nfs/dbraw/zinc/14/53/43/170145343.db2.gz ZNFQZULJEUVJDX-IBGZPJMESA-N 0 3 296.414 3.299 40 0 CGABHN CCOc1ccc(Cl)cc1CNCCN(CC)CC ZINC000022075937 171352175 /nfs/dbraw/zinc/35/21/75/171352175.db2.gz RBOTXWJAAMXLOM-UHFFFAOYSA-N 0 3 284.831 3.170 40 0 CGABHN CN1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1 ZINC000039044134 174161865 /nfs/dbraw/zinc/16/18/65/174161865.db2.gz OKYXOVCFRVDBPY-UHFFFAOYSA-N 0 3 267.372 3.267 40 0 CGABHN CN1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000072367692 176382279 /nfs/dbraw/zinc/38/22/79/176382279.db2.gz LNTYSVLORHGMFI-NSHDSACASA-N 0 3 274.393 3.091 40 0 CGABHN c1[nH]c2ccccc2c1CN1CCC[C@H](c2cnccn2)C1 ZINC000072369378 176384063 /nfs/dbraw/zinc/38/40/63/176384063.db2.gz UENOFHWEAKCOTM-AWEZNQCLSA-N 0 3 292.386 3.338 40 0 CGABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](N)c1ccccc1 ZINC000072208715 275823366 /nfs/dbraw/zinc/82/33/66/275823366.db2.gz UNGCJHBVTMJSNS-CABCVRRESA-N 0 3 290.407 3.476 40 0 CGABHN CN[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207661 277038987 /nfs/dbraw/zinc/03/89/87/277038987.db2.gz JARAEFPSWXWDOV-GJZGRUSLSA-N 0 3 290.407 3.347 40 0 CGABHN CN[C@@H]1CC(C)(C)Oc2c(Br)cccc21 ZINC000081217840 277294213 /nfs/dbraw/zinc/29/42/13/277294213.db2.gz BPXKTMUKGNLZTM-SNVBAGLBSA-N 0 3 270.170 3.271 40 0 CGABHN CCN1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215999 279282955 /nfs/dbraw/zinc/28/29/55/279282955.db2.gz OJNFZTVRYPEEHO-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN COc1cc2c(cc1OCc1ccccc1)[C@@H](C)NCC2 ZINC000003847304 368521191 /nfs/dbraw/zinc/52/11/91/368521191.db2.gz UJUNDAYVNBUMOJ-CYBMUJFWSA-N 0 3 283.371 3.481 40 0 CGABHN C[C@H](N)c1nc2ccccc2n1Cc1ccccc1 ZINC000016778381 368721602 /nfs/dbraw/zinc/72/16/02/368721602.db2.gz JCZLTHLKPYBYQF-LBPRGKRZSA-N 0 3 251.333 3.104 40 0 CGABHN C[C@@H]1C[C@H](C)CN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462616 368754183 /nfs/dbraw/zinc/75/41/83/368754183.db2.gz OLCQIXXLUAVANR-OKILXGFUSA-N 0 3 282.391 3.017 40 0 CGABHN CCCCOc1ccc(CNC[C@@H]2CCCO2)cc1OC ZINC000032156534 368927854 /nfs/dbraw/zinc/92/78/54/368927854.db2.gz AKPAROGTHVBDTB-HNNXBMFYSA-N 0 3 293.407 3.143 40 0 CGABHN CC[C@H](C)Oc1ccc(CNC[C@@H]2CCCO2)cc1OC ZINC000066115667 369687725 /nfs/dbraw/zinc/68/77/25/369687725.db2.gz DMZRMQMRLZZUJU-ZFWWWQNUSA-N 0 3 293.407 3.141 40 0 CGABHN Cc1cc(C2(O)CCN(C(C)C)CC2)ccc1Cl ZINC000079030399 369960139 /nfs/dbraw/zinc/96/01/39/369960139.db2.gz MXQVACXAPHZGQC-UHFFFAOYSA-N 0 3 267.800 3.340 40 0 CGABHN CC(C)OC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096040497 370203118 /nfs/dbraw/zinc/20/31/18/370203118.db2.gz KDBLBJLALHWEKL-DLBZAZTESA-N 0 3 293.407 3.076 40 0 CGABHN OC1/C(=C/c2ccccc2)CNC/C1=C\c1ccccc1 ZINC000005722825 285242468 /nfs/dbraw/zinc/24/24/68/285242468.db2.gz ZYPHMHISTJAFFJ-JYFOCSDGSA-N 0 3 277.367 3.118 40 0 CGABHN Nc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212351 392196759 /nfs/dbraw/zinc/19/67/59/392196759.db2.gz JXNYSCPKXLVWAZ-OAHLLOKOSA-N 0 3 253.349 3.001 40 0 CGABHN Cc1cc([C@H](N)c2ccccc2)cnc1NC1CC1 ZINC000072222776 392201903 /nfs/dbraw/zinc/20/19/03/392201903.db2.gz ZTGFDIXQJFEDRE-OAHLLOKOSA-N 0 3 253.349 3.012 40 0 CGABHN CC(C)(CO)NCc1ccc(OCc2ccccc2)cc1 ZINC000006883153 170252977 /nfs/dbraw/zinc/25/29/77/170252977.db2.gz QNQITHXTNPVKKV-UHFFFAOYSA-N 0 3 285.387 3.126 40 0 CGABHN CCCCCCNCc1ccc(OC)c(OC)c1OC ZINC000007261032 170274076 /nfs/dbraw/zinc/27/40/76/170274076.db2.gz UFFJYAWRWXQGPV-UHFFFAOYSA-N 0 3 281.396 3.382 40 0 CGABHN C[C@H]1CCCN(Cc2ccc(N)cc2Br)C1 ZINC000037460441 173224076 /nfs/dbraw/zinc/22/40/76/173224076.db2.gz UKSFEDFIBQWRBQ-JTQLQIEISA-N 0 3 283.213 3.263 40 0 CGABHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](N)c1ccccc1 ZINC000071617713 176235024 /nfs/dbraw/zinc/23/50/24/176235024.db2.gz NZRSPPIHSYBLSO-ZIAGYGMSSA-N 0 3 276.380 3.086 40 0 CGABHN Cc1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072363802 176378036 /nfs/dbraw/zinc/37/80/36/176378036.db2.gz HMYJASPSXLWXOF-INIZCTEOSA-N 0 3 267.376 3.165 40 0 CGABHN Cc1cncc([C@H]2CCCN(CCOc3ccccc3)C2)n1 ZINC000072385394 176389819 /nfs/dbraw/zinc/38/98/19/176389819.db2.gz HIJZZJWFYADRJD-INIZCTEOSA-N 0 3 297.402 3.043 40 0 CGABHN COc1cccc(C=O)c1OCCN1[C@H](C)CCC[C@H]1C ZINC000217788009 262344420 /nfs/dbraw/zinc/34/44/20/262344420.db2.gz QENPFQRUWYTOOE-ZIAGYGMSSA-N 0 3 291.391 3.149 40 0 CGABHN CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCC3)O2)[C@@H](C)C1 ZINC000004094088 276184219 /nfs/dbraw/zinc/18/42/19/276184219.db2.gz FTLAMGAOAHIHBM-JSRQGNBESA-N 0 3 279.424 3.062 40 0 CGABHN CC(=O)O[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C ZINC000005519253 278221339 /nfs/dbraw/zinc/22/13/39/278221339.db2.gz VOVORVLFYOGXMX-WCVJEAGWSA-N 0 3 293.794 3.222 40 0 CGABHN C[C@H]1CCC[C@H](C)N1CCOc1ccccc1C=O ZINC000217789043 230396764 /nfs/dbraw/zinc/39/67/64/230396764.db2.gz LLYHIUZFISPJLE-KBPBESRZSA-N 0 3 261.365 3.141 40 0 CGABHN C/C(=C\c1ccccc1)CN1CCC(c2nncn2C)CC1 ZINC000179685621 189213324 /nfs/dbraw/zinc/21/33/24/189213324.db2.gz XJMPDVNKPNUCJZ-NTCAYCPXSA-N 0 3 296.418 3.098 40 0 CGABHN CCc1cc(CC)cc(C(=O)OCCN(CC)CC)c1 ZINC000001646538 368426294 /nfs/dbraw/zinc/42/62/94/368426294.db2.gz XEQYWFSEARJXOO-UHFFFAOYSA-N 0 3 277.408 3.310 40 0 CGABHN Cc1ccc(CN(CCO)Cc2cccs2)cc1C ZINC000013997398 368672841 /nfs/dbraw/zinc/67/28/41/368672841.db2.gz CYWJUUZNGYAYJN-UHFFFAOYSA-N 0 3 275.417 3.359 40 0 CGABHN c1c2cccnc2[nH]c1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000019346923 368747935 /nfs/dbraw/zinc/74/79/35/368747935.db2.gz CRYNNRGKLFWLID-MRXNPFEDSA-N 0 3 292.386 3.338 40 0 CGABHN CO[C@@H](C)CN(C)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019581458 368756721 /nfs/dbraw/zinc/75/67/21/368756721.db2.gz GSWRWCFBDUOJNU-JTQLQIEISA-N 0 3 264.344 3.082 40 0 CGABHN N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000022866989 368812870 /nfs/dbraw/zinc/81/28/70/368812870.db2.gz ZWFNPSCBOVCVTB-ZDUSSCGKSA-N 0 3 276.343 3.287 40 0 CGABHN O[C@@H](CNCc1ccccc1)c1ccc(Cl)cc1 ZINC000026897956 368865258 /nfs/dbraw/zinc/86/52/58/368865258.db2.gz APTMYAYREOUIFX-HNNXBMFYSA-N 0 3 261.752 3.163 40 0 CGABHN CCCC[C@H](CC)COC[C@H](O)CNCc1ccccc1 ZINC000026897431 368865306 /nfs/dbraw/zinc/86/53/06/368865306.db2.gz FEKQTLCLFPIWFZ-FUHWJXTLSA-N 0 3 293.451 3.370 40 0 CGABHN NCc1csc(-c2ccc(Br)cc2)n1 ZINC000040999557 369167378 /nfs/dbraw/zinc/16/73/78/369167378.db2.gz SMSXOMQHEKZXLP-UHFFFAOYSA-N 0 3 269.167 3.031 40 0 CGABHN Cc1ccc(C)c(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000046882604 369299281 /nfs/dbraw/zinc/29/92/81/369299281.db2.gz RKKIJEIYFVRLTL-HUUCEWRRSA-N 0 3 288.435 3.011 40 0 CGABHN CCCCCCNCc1cc(C(F)(F)F)nn1C ZINC000256054063 190004978 /nfs/dbraw/zinc/00/49/78/190004978.db2.gz UUGKCCMSRMPQEW-UHFFFAOYSA-N 0 3 263.307 3.109 40 0 CGABHN Cc1cc(CC[C@@H]2CCCN2Cc2cncs2)ccn1 ZINC000257217354 190014046 /nfs/dbraw/zinc/01/40/46/190014046.db2.gz CYPDQJUZGJJDOM-HNNXBMFYSA-N 0 3 287.432 3.444 40 0 CGABHN Cc1cccc(CN2CC[C@@H](c3nccc(C)n3)C2)c1 ZINC000257222103 190014619 /nfs/dbraw/zinc/01/46/19/190014619.db2.gz DRXMYHMKMRODHQ-MRXNPFEDSA-N 0 3 267.376 3.083 40 0 CGABHN CCCCOc1ccccc1[C@H](C)NCCOC ZINC000225160737 376296789 /nfs/dbraw/zinc/29/67/89/376296789.db2.gz JFELRCZDELFMCJ-ZDUSSCGKSA-N 0 3 251.370 3.163 40 0 CGABHN Cc1nc(NC(C)C)cc(N2CCc3ccccc3C2)n1 ZINC000242656665 376783457 /nfs/dbraw/zinc/78/34/57/376783457.db2.gz CSMBEFTVVREXEU-UHFFFAOYSA-N 0 3 282.391 3.168 40 0 CGABHN CN1CCC[C@@H]1c1ccnc2ncc(-c3ccc(F)cc3)n21 ZINC000257318891 377796203 /nfs/dbraw/zinc/79/62/03/377796203.db2.gz VPVQTGVNLIISIW-CQSZACIVSA-N 0 3 296.349 3.302 40 0 CGABHN COC(=O)CCN(Cc1ccccc1)Cc1ccccc1 ZINC000036962719 391979000 /nfs/dbraw/zinc/97/90/00/391979000.db2.gz HFSIXFVOVMSIAM-UHFFFAOYSA-N 0 3 283.371 3.252 40 0 CGABHN CCN(CC)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC000072212853 392199219 /nfs/dbraw/zinc/19/92/19/392199219.db2.gz TYAKUJPPVOVIMR-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN CN1CCC[C@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216628 392199728 /nfs/dbraw/zinc/19/97/28/392199728.db2.gz FFRHSDIQUKSPAE-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000095534142 392243971 /nfs/dbraw/zinc/24/39/71/392243971.db2.gz CQSJHQZEVHMITD-HNNXBMFYSA-N 0 3 278.359 3.137 40 0 CGABHN CCOc1ccc2ccccc2c1CN[C@@H](CC)CO ZINC000008326245 170331544 /nfs/dbraw/zinc/33/15/44/170331544.db2.gz LGBMXXYLZSUWRI-AWEZNQCLSA-N 0 3 273.376 3.099 40 0 CGABHN CC[C@@H]1CCCCN1CCOc1ccccc1C=O ZINC000020131613 171020123 /nfs/dbraw/zinc/02/01/23/171020123.db2.gz GMQXTQDCFHLWPU-OAHLLOKOSA-N 0 3 261.365 3.142 40 0 CGABHN COc1cccc(Cc2cccc([C@@H]3CCCN(C)C3)n2)c1 ZINC000072348579 176373862 /nfs/dbraw/zinc/37/38/62/176373862.db2.gz HNUMUWSKTGCAPK-MRXNPFEDSA-N 0 3 296.414 3.490 40 0 CGABHN c1cc([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000072369521 176384406 /nfs/dbraw/zinc/38/44/06/176384406.db2.gz UDFLNTZPTVBTJH-INIZCTEOSA-N 0 3 295.386 3.065 40 0 CGABHN Cc1cccc(CN2CCCC[C@@H]2c2ccnc(N)n2)c1 ZINC000072385351 176389879 /nfs/dbraw/zinc/38/98/79/176389879.db2.gz ASNRBWKNFZZJBK-MRXNPFEDSA-N 0 3 282.391 3.094 40 0 CGABHN Cc1ccc(CN2CCC3(CC2)C(=O)Nc2ccccc23)o1 ZINC000096052476 274740744 /nfs/dbraw/zinc/74/07/44/274740744.db2.gz XOEQXIWOXKHYLZ-UHFFFAOYSA-N 0 3 296.370 3.074 40 0 CGABHN CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1sccc1C)C2 ZINC000096110855 185100855 /nfs/dbraw/zinc/10/08/55/185100855.db2.gz MZJOSEJWTYLKKA-HOCLYGCPSA-N 0 3 295.448 3.217 40 0 CGABHN CO[C@H]1CCN(Cc2ccco2)C[C@@H]1Cc1ccccc1 ZINC000096110471 185101443 /nfs/dbraw/zinc/10/14/43/185101443.db2.gz BKKRTDWFNHLACX-WMZOPIPTSA-N 0 3 285.387 3.359 40 0 CGABHN Cc1ccc(NC(=O)[C@H](C)NCC(C)C)cc1Cl ZINC000001671709 368428458 /nfs/dbraw/zinc/42/84/58/368428458.db2.gz CVSQBMBZNMGSEO-NSHDSACASA-N 0 3 268.788 3.221 40 0 CGABHN CCCCC[C@H](C)NCC(=O)Nc1ccccc1C ZINC000001684136 368431472 /nfs/dbraw/zinc/43/14/72/368431472.db2.gz DUFLNWUSGJBRFK-AWEZNQCLSA-N 0 3 262.397 3.492 40 0 CGABHN CCN(CC)CCOC(=O)c1cc2ccccc2s1 ZINC000001701102 368432535 /nfs/dbraw/zinc/43/25/35/368432535.db2.gz KPBDAAXIAFMDTQ-UHFFFAOYSA-N 0 3 277.389 3.400 40 0 CGABHN C[C@@H](c1ccccc1)[C@@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004012230 368525914 /nfs/dbraw/zinc/52/59/14/368525914.db2.gz ODYIWFSYHAIAAO-BHYGNILZSA-N 0 3 275.392 3.018 40 0 CGABHN Cc1ccccc1OC[C@H](O)CN[C@H](C)c1ccccc1 ZINC000016758605 368721536 /nfs/dbraw/zinc/72/15/36/368721536.db2.gz VGIPEGOQFNUFNF-NVXWUHKLSA-N 0 3 285.387 3.086 40 0 CGABHN CC(C)(C)c1ccc([C@@]23CCCN2CCCN3)cc1 ZINC000019329210 368748214 /nfs/dbraw/zinc/74/82/14/368748214.db2.gz XJYZXMQUOREZTJ-QGZVFWFLSA-N 0 3 258.409 3.226 40 0 CGABHN c1csc([C@H](Cc2ccsc2)NC[C@H]2CCOC2)n1 ZINC000019406504 368751907 /nfs/dbraw/zinc/75/19/07/368751907.db2.gz DIWKJUZOBCAGTH-OLZOCXBDSA-N 0 3 294.445 3.115 40 0 CGABHN CN1CCC[C@H]1c1cccnc1N1CCCCCC1 ZINC000072216688 369814973 /nfs/dbraw/zinc/81/49/73/369814973.db2.gz HXODAQAAIWIYFP-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN CCCCN1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212681 369815308 /nfs/dbraw/zinc/81/53/08/369815308.db2.gz HOLWNCOTOWYOMR-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN CN1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000074713451 369886440 /nfs/dbraw/zinc/88/64/40/369886440.db2.gz KOCUBRJDCKLJCJ-UHFFFAOYSA-N 0 3 287.190 3.274 40 0 CGABHN CCCCCCNCc1cn(C)nc1C(F)(F)F ZINC000256049533 190002325 /nfs/dbraw/zinc/00/23/25/190002325.db2.gz AIWZDTRYPQVTJA-UHFFFAOYSA-N 0 3 263.307 3.109 40 0 CGABHN Cc1nn(C2CCCC2)cc1CNCCCOC(C)C ZINC000256051305 190003477 /nfs/dbraw/zinc/00/34/77/190003477.db2.gz IPKTUZNEODQQLH-UHFFFAOYSA-N 0 3 279.428 3.211 40 0 CGABHN CN1CC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257222077 190014991 /nfs/dbraw/zinc/01/49/91/190014991.db2.gz DRURTBDKGZKWOJ-GFCCVEGCSA-N 0 3 276.767 3.338 40 0 CGABHN CCOc1ccccc1CN1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257265322 190023429 /nfs/dbraw/zinc/02/34/29/190023429.db2.gz LYEVDSRERUVALA-OAHLLOKOSA-N 0 3 285.391 3.106 40 0 CGABHN Cc1nc([C@@H]2CCN(Cc3cccnc3)C2)c2sccn12 ZINC000257273691 190024930 /nfs/dbraw/zinc/02/49/30/190024930.db2.gz NHSOPIXBCDZTDO-CQSZACIVSA-N 0 3 298.415 3.089 40 0 CGABHN OC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000070453127 285272324 /nfs/dbraw/zinc/27/23/24/285272324.db2.gz JOHPZSUHNXTCCN-ZDUSSCGKSA-N 0 3 289.297 3.105 40 0 CGABHN Cc1nc(N)ccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072218550 256708540 /nfs/dbraw/zinc/70/85/40/256708540.db2.gz LAXRCVVRRUPADS-MRXNPFEDSA-N 0 3 267.376 3.309 40 0 CGABHN CC1=C2C(C)=CC(=O)O[C@H]2N(c2ccc(C)c(Cl)c2)N1 ZINC000059416956 392118370 /nfs/dbraw/zinc/11/83/70/392118370.db2.gz ZRBAITHXDBBELJ-HUUCEWRRSA-N 0 3 290.750 3.290 40 0 CGABHN CCN(CC)c1ncc([C@H](N)c2ccccc2)cc1C ZINC000072222232 392201575 /nfs/dbraw/zinc/20/15/75/392201575.db2.gz OLIWDYGGFQRUSF-MRXNPFEDSA-N 0 3 269.392 3.284 40 0 CGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCCCC1 ZINC000072222468 392201771 /nfs/dbraw/zinc/20/17/71/392201771.db2.gz UTJPDTDSUHGAEG-KRWDZBQOSA-N 0 3 281.403 3.428 40 0 CGABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCCC1 ZINC000072222444 392201806 /nfs/dbraw/zinc/20/18/06/392201806.db2.gz QDEZLDZOGFYIAL-MRXNPFEDSA-N 0 3 267.376 3.038 40 0 CGABHN CCOC(=O)C[C@@H](c1ccccc1)N1CCCCC1 ZINC000006385679 170197162 /nfs/dbraw/zinc/19/71/62/170197162.db2.gz WTRSETHGBYJVQN-HNNXBMFYSA-N 0 3 261.365 3.167 40 0 CGABHN CCc1cccc2cc(CNCc3ccccc3)c(=O)[nH]c21 ZINC000013566535 170563229 /nfs/dbraw/zinc/56/32/29/170563229.db2.gz DTZZKDXMWBZVPE-UHFFFAOYSA-N 0 3 292.382 3.380 40 0 CGABHN C[C@@H]1CCCCN1Cc1ccc(N)cc1Br ZINC000037460437 173223932 /nfs/dbraw/zinc/22/39/32/173223932.db2.gz RPLBNZCOMMZAMU-SNVBAGLBSA-N 0 3 283.213 3.406 40 0 CGABHN CC(C)N1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072361654 176377791 /nfs/dbraw/zinc/37/77/91/176377791.db2.gz KMRMMUJQDBSJQG-CQSZACIVSA-N 0 3 298.390 3.252 40 0 CGABHN Cc1cc(C)nc(Nc2cccc([C@H]3CCCN(C)C3)n2)n1 ZINC000072375910 176385189 /nfs/dbraw/zinc/38/51/89/176385189.db2.gz WIESMBFPPKAWRE-AWEZNQCLSA-N 0 3 297.406 3.041 40 0 CGABHN COc1cccc(C=O)c1OCCN1[C@H](C)CCC[C@@H]1C ZINC000217787932 262344522 /nfs/dbraw/zinc/34/45/22/262344522.db2.gz QENPFQRUWYTOOE-OKILXGFUSA-N 0 3 291.391 3.149 40 0 CGABHN CN1[C@H](c2ccc(F)cc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257252156 290317860 /nfs/dbraw/zinc/31/78/60/290317860.db2.gz JTTBAQSYDVCLKG-ZOBUZTSGSA-N 0 3 290.382 3.020 40 0 CGABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096056791 185078044 /nfs/dbraw/zinc/07/80/44/185078044.db2.gz NLEXSHPMPYXTBJ-CVEARBPZSA-N 0 3 295.448 3.156 40 0 CGABHN CO[C@@H]1COC2(C1)CCN(Cc1cccc(Cl)c1)CC2 ZINC000096106535 185098463 /nfs/dbraw/zinc/09/84/63/185098463.db2.gz JOXPACFJMMKUIV-HNNXBMFYSA-N 0 3 295.810 3.110 40 0 CGABHN COc1ccccc1[C@@H]1CCN(Cc2ccncc2)C1 ZINC000156165250 188247180 /nfs/dbraw/zinc/24/71/80/188247180.db2.gz SUADLAKCMLFWMR-OAHLLOKOSA-N 0 3 268.360 3.080 40 0 CGABHN CCOc1ccc2[nH]c(C)c(CN(CC)CC)c(=O)c2c1 ZINC000000948992 368397884 /nfs/dbraw/zinc/39/78/84/368397884.db2.gz MENZLARACWXBHD-UHFFFAOYSA-N 0 3 288.391 3.077 40 0 CGABHN CN(C)Cc1ccccc1C(=O)Nc1ccccc1 ZINC000001713603 368434603 /nfs/dbraw/zinc/43/46/03/368434603.db2.gz CMJXYRBTXDZQFI-UHFFFAOYSA-N 0 3 254.333 3.001 40 0 CGABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCCC1 ZINC000002694452 368472617 /nfs/dbraw/zinc/47/26/17/368472617.db2.gz KCXDJIWVKTZZAH-LSDHHAIUSA-N 0 3 277.408 3.036 40 0 CGABHN Fc1ccccc1CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019349153 368748956 /nfs/dbraw/zinc/74/89/56/368748956.db2.gz PINDRGIBDITAQC-HDMKZQKVSA-N 0 3 288.410 3.132 40 0 CGABHN CC(C)Oc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963779 368792169 /nfs/dbraw/zinc/79/21/69/368792169.db2.gz WWLXASZDMMYFBT-BBRMVZONSA-N 0 3 263.381 3.303 40 0 CGABHN COCCN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000020085577 368797539 /nfs/dbraw/zinc/79/75/39/368797539.db2.gz JKEQZKZJNOQGLM-CYBMUJFWSA-N 0 3 251.370 3.018 40 0 CGABHN CC1CCN([C@@H](CN)c2c(F)cccc2Cl)CC1 ZINC000038785092 369147899 /nfs/dbraw/zinc/14/78/99/369147899.db2.gz VZDWPHJXVDXACN-ZDUSSCGKSA-N 0 3 270.779 3.211 40 0 CGABHN CN1CCC[C@@H]1c1cccnc1N1CCCCCC1 ZINC000072216687 369816078 /nfs/dbraw/zinc/81/60/78/369816078.db2.gz HXODAQAAIWIYFP-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1cccnc1CN1CCC[C@@H](c2nccs2)C1 ZINC000093169623 370112849 /nfs/dbraw/zinc/11/28/49/370112849.db2.gz ZHSSHWRHKGMMRX-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN Fc1ccc2c(c1)C1(CN2)CCN(Cc2cccnc2)CC1 ZINC000096261810 370209087 /nfs/dbraw/zinc/20/90/87/370209087.db2.gz IJOKNYRUZFFNQP-UHFFFAOYSA-N 0 3 297.377 3.180 40 0 CGABHN Cc1ccc(CN2CCC(c3cnccn3)CC2)s1 ZINC000257258688 190021852 /nfs/dbraw/zinc/02/18/52/190021852.db2.gz KVCJCPIQWBETIJ-UHFFFAOYSA-N 0 3 273.405 3.226 40 0 CGABHN CC(C)n1nccc1-c1cc([C@H]2CCCN2C)ccn1 ZINC000257289194 190027653 /nfs/dbraw/zinc/02/76/53/190027653.db2.gz PXLIAENNXNRXNG-OAHLLOKOSA-N 0 3 270.380 3.293 40 0 CGABHN CCN(CC)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000019260214 284766094 /nfs/dbraw/zinc/76/60/94/284766094.db2.gz YFADDHNWQFVQJP-LBPRGKRZSA-N 0 3 261.196 3.335 40 0 CGABHN Nc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212352 392197665 /nfs/dbraw/zinc/19/76/65/392197665.db2.gz JXNYSCPKXLVWAZ-HNNXBMFYSA-N 0 3 253.349 3.001 40 0 CGABHN CCCCN1CCC[C@H]1c1cccnc1N(C)CC ZINC000072212782 392199114 /nfs/dbraw/zinc/19/91/14/392199114.db2.gz OBVGXDJLIUFHJE-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN Cc1nc(N)ccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072218549 392200657 /nfs/dbraw/zinc/20/06/57/392200657.db2.gz LAXRCVVRRUPADS-INIZCTEOSA-N 0 3 267.376 3.309 40 0 CGABHN CCOC(=O)C[C@H](c1ccc(F)cc1)N1CCCCC1 ZINC000072210315 397640588 /nfs/dbraw/zinc/64/05/88/397640588.db2.gz WPFDDZGLXLXGBC-OAHLLOKOSA-N 0 3 279.355 3.306 40 0 CGABHN CCc1cc2c(ncnc2NCCN2CCCCC2)s1 ZINC000005008137 170054781 /nfs/dbraw/zinc/05/47/81/170054781.db2.gz GOSJCDUOKFRCLL-UHFFFAOYSA-N 0 3 290.436 3.152 40 0 CGABHN CCCCCCOCCOCCN1CCCCC1 ZINC000005418131 170096996 /nfs/dbraw/zinc/09/69/96/170096996.db2.gz PWNUOQSRPASNBD-UHFFFAOYSA-N 0 3 257.418 3.086 40 0 CGABHN CC(=O)O[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)cc1)N2C ZINC000005519254 170107805 /nfs/dbraw/zinc/10/78/05/170107805.db2.gz VOVORVLFYOGXMX-LVQVYYBASA-N 0 3 293.794 3.222 40 0 CGABHN COc1ccc([C@@H](OCCN(C)C)c2ccccc2)cc1 ZINC000005764844 170138345 /nfs/dbraw/zinc/13/83/45/170138345.db2.gz BXCMCXBSUDRYPF-SFHVURJKSA-N 0 3 285.387 3.363 40 0 in-man CGABHN Cc1c(Cl)cccc1-c1ccc(CNC[C@@H](C)O)o1 ZINC000007538963 170290293 /nfs/dbraw/zinc/29/02/93/170290293.db2.gz KUWGOUGNUNNVRI-SNVBAGLBSA-N 0 3 279.767 3.379 40 0 CGABHN CC(C)(C)c1ccc2nc(N3CCNCC3)sc2c1 ZINC000072209855 176342681 /nfs/dbraw/zinc/34/26/81/176342681.db2.gz PTSIZSIQEFNQTL-UHFFFAOYSA-N 0 3 275.421 3.003 40 0 CGABHN Cc1ccc([C@@H]2SC(=N)N[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000059500966 262390513 /nfs/dbraw/zinc/39/05/13/262390513.db2.gz ILDUQMPCSDTLHJ-OAGGEKHMSA-N 0 3 298.411 3.200 40 0 CGABHN CO[C@H](C)CN(C)Cc1c(C)[nH]c2ccc(F)cc21 ZINC000019581460 274074399 /nfs/dbraw/zinc/07/43/99/274074399.db2.gz GSWRWCFBDUOJNU-SNVBAGLBSA-N 0 3 264.344 3.082 40 0 CGABHN CC(C)Cn1c2ccc(Cl)cc2nc1[C@@H](C)N ZINC000040417747 275604280 /nfs/dbraw/zinc/60/42/80/275604280.db2.gz OHLRKBZXMIOCEH-SECBINFHSA-N 0 3 251.761 3.365 40 0 CGABHN CC1=C[C@H](C)[C@@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 ZINC000001229977 278509177 /nfs/dbraw/zinc/50/91/77/278509177.db2.gz RJXDBTDFBZRPHG-IGKNDFSCSA-N 0 3 293.451 3.452 40 0 CGABHN NC[C@H](c1cc(Cl)cc(Cl)c1)N1CCCC1 ZINC000037424719 279647442 /nfs/dbraw/zinc/64/74/42/279647442.db2.gz ILAKADBIJAKXKR-GFCCVEGCSA-N 0 3 259.180 3.089 40 0 CGABHN CC1CCN([C@H](CN)c2ccccc2Br)CC1 ZINC000019508108 567943379 /nfs/dbraw/zinc/94/33/79/567943379.db2.gz MCUDZTLUMPRNFE-CQSZACIVSA-N 0 3 297.240 3.181 40 0 CGABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccsc1)C2 ZINC000096039316 185069242 /nfs/dbraw/zinc/06/92/42/185069242.db2.gz LAAKIQNSRBQHRA-HOTGVXAUSA-N 0 3 295.448 3.156 40 0 CGABHN c1cc(CN2CCC3(C[C@H](c4cccnc4)CO3)CC2)co1 ZINC000096047771 185072390 /nfs/dbraw/zinc/07/23/90/185072390.db2.gz LJYOWIOQELNKKT-KRWDZBQOSA-N 0 3 298.386 3.213 40 0 CGABHN CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)s1)C2 ZINC000096107214 185099595 /nfs/dbraw/zinc/09/95/95/185099595.db2.gz WZFALHYHYBXQTL-ZBFHGGJFSA-N 0 3 295.448 3.217 40 0 CGABHN CSc1ncc(CNCCc2c[nH]c3ccccc23)cn1 ZINC000062717232 345240303 /nfs/dbraw/zinc/24/03/03/345240303.db2.gz NXGKMIPKCXPHSU-UHFFFAOYSA-N 0 3 298.415 3.012 40 0 CGABHN CN1C=C[C@H](C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000001584459 368420513 /nfs/dbraw/zinc/42/05/13/368420513.db2.gz HLSVCEOMZDFUDB-SFHVURJKSA-N 0 3 279.383 3.388 40 0 CGABHN CN1CC[C@H](OC(c2ccccc2)c2ccccc2)C1 ZINC000001672572 368430284 /nfs/dbraw/zinc/43/02/84/368430284.db2.gz MGXCSSMKOVWQDN-KRWDZBQOSA-N 0 3 267.372 3.497 40 0 CGABHN CN(CCc1cn[nH]c1)Cc1ccccc1OC1CCCC1 ZINC000013995607 368671967 /nfs/dbraw/zinc/67/19/67/368671967.db2.gz BMBIJZFXOSPLNS-UHFFFAOYSA-N 0 3 299.418 3.406 40 0 CGABHN c1cc(CN2CCC(c3[nH]nc4ncccc43)CC2)cs1 ZINC000019346530 368748030 /nfs/dbraw/zinc/74/80/30/368748030.db2.gz PMBQCVJITZBYBW-UHFFFAOYSA-N 0 3 298.415 3.399 40 0 CGABHN C[C@@H]1C[C@@H](C)CN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462614 368754387 /nfs/dbraw/zinc/75/43/87/368754387.db2.gz OLCQIXXLUAVANR-ZIAGYGMSSA-N 0 3 282.391 3.017 40 0 CGABHN CC[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000035818586 369005722 /nfs/dbraw/zinc/00/57/22/369005722.db2.gz XNNHSXBJDMAZPZ-HNNXBMFYSA-N 0 3 288.435 3.447 40 0 CGABHN CC(C)(C)OC(=O)CCNCc1ccc(Cl)cc1 ZINC000047218994 369309945 /nfs/dbraw/zinc/30/99/45/369309945.db2.gz IHNKAUUIYQVFGS-UHFFFAOYSA-N 0 3 269.772 3.161 40 0 CGABHN Clc1ccc(Cl)c(CNC[C@H]2CCOC2)c1 ZINC000083697617 370008416 /nfs/dbraw/zinc/00/84/16/370008416.db2.gz NUIAZFTYFHCKHY-SECBINFHSA-N 0 3 260.164 3.120 40 0 CGABHN CCOc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000095095415 370175147 /nfs/dbraw/zinc/17/51/47/370175147.db2.gz HHQKSSOYJCJEEV-ZDUSSCGKSA-N 0 3 287.363 3.177 40 0 CGABHN Cc1ccc(Nc2nccc([C@H]3CCN(C(C)C)C3)n2)nc1 ZINC000257313179 190031892 /nfs/dbraw/zinc/03/18/92/190031892.db2.gz URHQFJLYFNKIKJ-AWEZNQCLSA-N 0 3 297.406 3.121 40 0 CGABHN Cc1cc(CC2CCN(Cc3cccnc3)CC2)ccn1 ZINC000257328156 190035213 /nfs/dbraw/zinc/03/52/13/190035213.db2.gz XEKPNKDCJOKSFF-UHFFFAOYSA-N 0 3 281.403 3.240 40 0 CGABHN CC[C@@](CO)(c1ccccc1)N(C)Cc1ccccc1 ZINC000065734691 392149969 /nfs/dbraw/zinc/14/99/69/392149969.db2.gz WVCKSRCCDDRZCQ-GOSISDBHSA-N 0 3 269.388 3.416 40 0 in-vitro CGABHN CN[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207659 392196096 /nfs/dbraw/zinc/19/60/96/392196096.db2.gz JARAEFPSWXWDOV-LSDHHAIUSA-N 0 3 290.407 3.347 40 0 CGABHN Nc1ncccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072212442 392197819 /nfs/dbraw/zinc/19/78/19/392197819.db2.gz QYOUQLLGDDWKAA-MRXNPFEDSA-N 0 3 267.376 3.391 40 0 CGABHN CCOC(=O)C[C@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000072210307 397640475 /nfs/dbraw/zinc/64/04/75/397640475.db2.gz YUDXVGNKPVNGOS-MRXNPFEDSA-N 0 3 291.391 3.175 40 0 CGABHN C[C@@H]1Cc2cc(C(=O)CCN3CCCCCC3)ccc2O1 ZINC000005530595 170109555 /nfs/dbraw/zinc/10/95/55/170109555.db2.gz BWMLSSGLIVWADJ-CQSZACIVSA-N 0 3 287.403 3.459 40 0 CGABHN Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n[nH]1 ZINC000006412793 170199586 /nfs/dbraw/zinc/19/95/86/170199586.db2.gz MSFKWSLQJDVWIH-UHFFFAOYSA-N 0 3 250.689 3.016 40 0 CGABHN CC1CCN([C@H](CN)c2cccc(Cl)c2)CC1 ZINC000038809086 174156233 /nfs/dbraw/zinc/15/62/33/174156233.db2.gz NTEWTZJJAKZOHV-CQSZACIVSA-N 0 3 252.789 3.072 40 0 CGABHN OCC1C[C@H](c2ccccc2)N[C@@H](c2ccccc2)C1 ZINC000072232667 176344149 /nfs/dbraw/zinc/34/41/49/176344149.db2.gz OFWYWXACEZCAMH-QZTJIDSGSA-N 0 3 267.372 3.461 40 0 CGABHN COc1ccc(CN2CCC[C@@H](c3n[nH]cc3C)C2)cc1 ZINC000072384978 176389056 /nfs/dbraw/zinc/38/90/56/176389056.db2.gz LPLKCXAXGOXJEN-OAHLLOKOSA-N 0 3 285.391 3.106 40 0 CGABHN Cc1cncc(C2CCN(CCOc3ccccc3)CC2)n1 ZINC000072385392 176389922 /nfs/dbraw/zinc/38/99/22/176389922.db2.gz YZDJTMKIXXDRIF-UHFFFAOYSA-N 0 3 297.402 3.043 40 0 CGABHN CCCc1cccc2cc3c(nc21)O[C@@H](C)CNC3 ZINC000072392281 276056101 /nfs/dbraw/zinc/05/61/01/276056101.db2.gz AEQKKFCERZJCDC-NSHDSACASA-N 0 3 256.349 3.058 40 0 CGABHN CNc1cc(N2Cc3ccccc3CC2(C)C)nc(C)n1 ZINC000329031788 277043259 /nfs/dbraw/zinc/04/32/59/277043259.db2.gz QLMNMGWBHOBGCI-UHFFFAOYSA-N 0 3 282.391 3.168 40 0 CGABHN CN[C@H]1CC(C)(C)Oc2c(Br)cccc21 ZINC000081217838 277299082 /nfs/dbraw/zinc/29/90/82/277299082.db2.gz BPXKTMUKGNLZTM-JTQLQIEISA-N 0 3 270.170 3.271 40 0 CGABHN NC(=O)CCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000585656285 346725963 /nfs/dbraw/zinc/72/59/63/346725963.db2.gz OEOFHYIWCSYXAP-UHFFFAOYSA-N 0 3 296.414 3.344 40 0 CGABHN CN(C)C[C@@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000001671201 368428604 /nfs/dbraw/zinc/42/86/04/368428604.db2.gz NIISBOCIVFUFDB-QGZVFWFLSA-N 0 3 267.372 3.144 40 0 CGABHN CCN(CC)[C@@H](CN)c1cccc(Cl)c1Cl ZINC000019806660 368767714 /nfs/dbraw/zinc/76/77/14/368767714.db2.gz SJZYAVUOKJBZJA-NSHDSACASA-N 0 3 261.196 3.335 40 0 CGABHN CC[C@@H](C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000019881863 368776199 /nfs/dbraw/zinc/77/61/99/368776199.db2.gz ARIWKJUTOKFGKU-MRVPVSSYSA-N 0 3 288.185 3.051 40 0 CGABHN CN(C(=O)c1ccc(CN2CCCC2)cc1)C1CCCC1 ZINC000019931512 368786798 /nfs/dbraw/zinc/78/67/98/368786798.db2.gz JCUMEHIPGQRKJX-UHFFFAOYSA-N 0 3 286.419 3.297 40 0 CGABHN Cc1nnc([C@H]2CCN(Cc3cc4ccccc4o3)C2)o1 ZINC000049169260 369391084 /nfs/dbraw/zinc/39/10/84/369391084.db2.gz JXWUEJZBDGIHRD-ZDUSSCGKSA-N 0 3 283.331 3.114 40 0 biogenic,in-vitro CGABHN CN1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000072793313 369838042 /nfs/dbraw/zinc/83/80/42/369838042.db2.gz CDYVBIBBAFSZAZ-SECBINFHSA-N 0 3 287.190 3.274 40 0 CGABHN OC[C@H]1C[C@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000255991978 190000182 /nfs/dbraw/zinc/00/01/82/190000182.db2.gz OFWYWXACEZCAMH-GBEXYDAJSA-N 0 3 267.372 3.461 40 0 CGABHN Cc1cccc(CN2CC[C@H](c3nccc(C)n3)C2)c1 ZINC000257222102 190015000 /nfs/dbraw/zinc/01/50/00/190015000.db2.gz DRXMYHMKMRODHQ-INIZCTEOSA-N 0 3 267.376 3.083 40 0 CGABHN Cc1cc(-c2cc([C@H]3CCCN(C(C)C)C3)nc(C)n2)n[nH]1 ZINC000257296702 190028182 /nfs/dbraw/zinc/02/81/82/190028182.db2.gz REAJWFCMTGZJOH-AWEZNQCLSA-N 0 3 299.422 3.071 40 0 CGABHN Cc1cc(-c2ccnn2C(C)C)nc([C@@H]2CCCN(C)C2)n1 ZINC000257318087 190032395 /nfs/dbraw/zinc/03/23/95/190032395.db2.gz VMLNPFPMNDVMBA-CQSZACIVSA-N 0 3 299.422 3.039 40 0 CGABHN COc1cccc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)c1 ZINC000257331531 190035827 /nfs/dbraw/zinc/03/58/27/190035827.db2.gz XTGSHSGLMCFGEM-OAHLLOKOSA-N 0 3 285.391 3.106 40 0 CGABHN CCCc1ccc(CNCc2ccc(OC)cc2)n1C ZINC000226020799 376339428 /nfs/dbraw/zinc/33/94/28/376339428.db2.gz RJQXQZCCXIHFLT-UHFFFAOYSA-N 0 3 272.392 3.276 40 0 CGABHN CC[C@@H](C)Oc1ccccc1[C@@H](C)NCCOC ZINC000225160994 376296300 /nfs/dbraw/zinc/29/63/00/376296300.db2.gz CTFSDGXSKPYMPS-CHWSQXEVSA-N 0 3 251.370 3.161 40 0 CGABHN COCCCN[C@@H](C)c1ccccc1OC(C)C ZINC000225161272 376296950 /nfs/dbraw/zinc/29/69/50/376296950.db2.gz YZPFOWBHFKOCSL-ZDUSSCGKSA-N 0 3 251.370 3.161 40 0 CGABHN COCCN[C@H](C)c1ccccc1OC1CCCC1 ZINC000225160836 376297159 /nfs/dbraw/zinc/29/71/59/376297159.db2.gz YKBOLQZIIJKALA-CYBMUJFWSA-N 0 3 263.381 3.305 40 0 CGABHN CCOC(=O)c1[nH]c2ccccc2c1[C@H](N)c1ccccc1 ZINC000004202851 391919282 /nfs/dbraw/zinc/91/92/82/391919282.db2.gz WZNIJQBJCYBLMH-MRXNPFEDSA-N 0 3 294.354 3.393 40 0 CGABHN Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N ZINC000072218429 392199891 /nfs/dbraw/zinc/19/98/91/392199891.db2.gz BGPKIXQFKWCCHE-INIZCTEOSA-N 0 3 267.376 3.309 40 0 CGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCCC1 ZINC000072222445 392201911 /nfs/dbraw/zinc/20/19/11/392201911.db2.gz QDEZLDZOGFYIAL-INIZCTEOSA-N 0 3 267.376 3.038 40 0 CGABHN CC1(N[C@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000005963684 170163571 /nfs/dbraw/zinc/16/35/71/170163571.db2.gz KRXFORPABBFXIK-GOSISDBHSA-N 0 3 297.398 3.323 40 0 CGABHN CC[C@@](CO)(NCc1ccccc1)c1ccccc1 ZINC000038110851 174122853 /nfs/dbraw/zinc/12/28/53/174122853.db2.gz YUWOWSIPHMTMCC-KRWDZBQOSA-N 0 3 255.361 3.074 40 0 in-vitro CGABHN CCOc1cc(CNC[C@H]2CCCO2)ccc1OC(C)C ZINC000040728689 174387905 /nfs/dbraw/zinc/38/79/05/174387905.db2.gz ULGPCQQZYRLKBA-OAHLLOKOSA-N 0 3 293.407 3.141 40 0 CGABHN Cc1cc([C@H]2CCCN(Cc3ccncc3)C2)ccn1 ZINC000072367932 176382262 /nfs/dbraw/zinc/38/22/62/176382262.db2.gz XKZLGHCNPWKEQT-KRWDZBQOSA-N 0 3 267.376 3.165 40 0 CGABHN CC(C)c1nccn1-c1cccc([C@H]2CCCN2C)n1 ZINC000072379098 176385880 /nfs/dbraw/zinc/38/58/80/176385880.db2.gz ADGHBWSYUQICKE-CQSZACIVSA-N 0 3 270.380 3.157 40 0 CGABHN CCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000007262388 261378283 /nfs/dbraw/zinc/37/82/83/261378283.db2.gz DQKLGXMNBNRPTJ-UHFFFAOYSA-N 0 3 273.332 3.233 40 0 CGABHN C[C@@H](CC(O)(c1cccs1)c1cccs1)N(C)C ZINC000002042886 368444785 /nfs/dbraw/zinc/44/47/85/368444785.db2.gz KUYLKQQSZDJZSA-NSHDSACASA-N 0 3 281.446 3.386 40 0 CGABHN C[C@@H](c1ccccc1)[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004012231 368526068 /nfs/dbraw/zinc/52/60/68/368526068.db2.gz ODYIWFSYHAIAAO-XIRDDKMYSA-N 0 3 275.392 3.018 40 0 CGABHN C[C@H]1CN=C(COc2ccccc2Cc2ccccc2)N1 ZINC000006495176 368567447 /nfs/dbraw/zinc/56/74/47/368567447.db2.gz KUCRAFYSUFMDKE-AWEZNQCLSA-N 0 3 280.371 3.046 40 0 CGABHN CCOc1cc(C=O)ccc1OCCN1CCCCCC1 ZINC000015014301 368687862 /nfs/dbraw/zinc/68/78/62/368687862.db2.gz RUVJGEMKUKYQRO-UHFFFAOYSA-N 0 3 291.391 3.153 40 0 CGABHN CC[C@H](C)Oc1ccc(CNC[C@H]2CCCO2)cc1OC ZINC000066115669 369688228 /nfs/dbraw/zinc/68/82/28/369688228.db2.gz DMZRMQMRLZZUJU-DZGCQCFKSA-N 0 3 293.407 3.141 40 0 CGABHN Cc1sc2c([C@H]3CCCN(C)C3)nc(C)n2c1C ZINC000072367698 369817317 /nfs/dbraw/zinc/81/73/17/369817317.db2.gz PANKDPVBNNGTQY-LBPRGKRZSA-N 0 3 263.410 3.130 40 0 CGABHN c1csc(CN2CCc3ncnc(C4CC4)c3CC2)c1 ZINC000096255069 370209222 /nfs/dbraw/zinc/20/92/22/370209222.db2.gz WEDLXYVAXTVFLL-UHFFFAOYSA-N 0 3 285.416 3.016 40 0 CGABHN Cc1cncc(C2CCN(Cc3ccsc3)CC2)n1 ZINC000257294268 190028447 /nfs/dbraw/zinc/02/84/47/190028447.db2.gz QTIDHOWASTYXSL-UHFFFAOYSA-N 0 3 273.405 3.226 40 0 CGABHN CN1CCC(c2ccnc(Nc3ccccn3)c2)CC1 ZINC000257309552 190031283 /nfs/dbraw/zinc/03/12/83/190031283.db2.gz UBJOPVRBJLHHCT-UHFFFAOYSA-N 0 3 268.364 3.029 40 0 CGABHN CN(C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212585 392197169 /nfs/dbraw/zinc/19/71/69/392197169.db2.gz GZXVSISFDHLQFZ-KRWDZBQOSA-N 0 3 281.403 3.485 40 0 CGABHN CC(C)N(c1ccc([C@H]2CCCN2C)cn1)C(C)C ZINC000072212942 392198674 /nfs/dbraw/zinc/19/86/74/392198674.db2.gz JQXDYZLZPOGTLJ-OAHLLOKOSA-N 0 3 261.413 3.472 40 0 CGABHN CCCN1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215983 392200686 /nfs/dbraw/zinc/20/06/86/392200686.db2.gz LESZSLZMNLHQAK-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1cc(Br)ncc1[C@@H](N)c1ccccc1 ZINC000072222963 392203366 /nfs/dbraw/zinc/20/33/66/392203366.db2.gz UCCPLEFVRPMCGQ-ZDUSSCGKSA-N 0 3 277.165 3.201 40 0 CGABHN C[C@H]1CCCCN1CCCOc1cccc(C=O)c1 ZINC000009261539 170369339 /nfs/dbraw/zinc/36/93/39/170369339.db2.gz SWKWGFBTWXHGIY-AWEZNQCLSA-N 0 3 261.365 3.142 40 0 CGABHN Cc1ccc(-c2cnc(C3CCN(C)CC3)cn2)cc1 ZINC000072382916 176388140 /nfs/dbraw/zinc/38/81/40/176388140.db2.gz BXNCYGQRGVMJSF-UHFFFAOYSA-N 0 3 267.376 3.261 40 0 CGABHN Cc1cccc(CN2CCCC[C@H]2c2ccnc(N)n2)c1 ZINC000072385352 176389769 /nfs/dbraw/zinc/38/97/69/176389769.db2.gz ASNRBWKNFZZJBK-INIZCTEOSA-N 0 3 282.391 3.094 40 0 CGABHN CN1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n21 ZINC000257318890 277082755 /nfs/dbraw/zinc/08/27/55/277082755.db2.gz VPVQTGVNLIISIW-AWEZNQCLSA-N 0 3 296.349 3.302 40 0 CGABHN CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](N)c1ccccc1 ZINC000072208716 277182913 /nfs/dbraw/zinc/18/29/13/277182913.db2.gz UNGCJHBVTMJSNS-GJZGRUSLSA-N 0 3 290.407 3.476 40 0 CGABHN C[C@H](N)c1scc(Br)c1Br ZINC000085391243 279423256 /nfs/dbraw/zinc/42/32/56/279423256.db2.gz LFKKUBICHHRNSK-VKHMYHEASA-N 0 3 285.004 3.293 40 0 CGABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096039315 185069613 /nfs/dbraw/zinc/06/96/13/185069613.db2.gz LAAKIQNSRBQHRA-HZPDHXFCSA-N 0 3 295.448 3.156 40 0 CGABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 ZINC000096058411 185079258 /nfs/dbraw/zinc/07/92/58/185079258.db2.gz ACSZNQVPNYRNTG-OALUTQOASA-N 0 3 296.414 3.127 40 0 CGABHN CO[C@H]1CCN(Cc2ccoc2)C[C@@H]1Cc1ccccc1 ZINC000096110472 185100477 /nfs/dbraw/zinc/10/04/77/185100477.db2.gz VYVTZSODRBQMKQ-ROUUACIJSA-N 0 3 285.387 3.359 40 0 CGABHN CC(C)Oc1cccc([C@H](C)NC[C@H]2CCCO2)c1 ZINC000127955913 187343255 /nfs/dbraw/zinc/34/32/55/187343255.db2.gz GJMYPHGIPZDABU-XJKSGUPXSA-N 0 3 263.381 3.303 40 0 CGABHN Cc1ncsc1CN1CCC[C@@H](c2nccs2)C1 ZINC000092788930 345858880 /nfs/dbraw/zinc/85/88/80/345858880.db2.gz GMBYRMQRHBPQFT-LLVKDONJSA-N 0 3 279.434 3.288 40 0 CGABHN Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3)cs2)cc1 ZINC000585266932 346725733 /nfs/dbraw/zinc/72/57/33/346725733.db2.gz XKWKMAVVRYEBMH-GFCCVEGCSA-N 0 3 287.388 3.128 40 0 CGABHN N[C@H](CCc1ccccc1)c1cnc2ccccc2n1 ZINC000090587217 180009147 /nfs/dbraw/zinc/00/91/47/180009147.db2.gz KQHRPSMMQKDCBB-CQSZACIVSA-N 0 3 263.344 3.262 40 0 CGABHN CCCC[C@@H](CC)[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004094091 368529597 /nfs/dbraw/zinc/52/95/97/368529597.db2.gz ZPDBNCKBKRZZEB-PMPSAXMXSA-N 0 3 269.429 3.430 40 0 CGABHN Cc1cc(Nc2ccccc2)nc(SCCN(C)C)n1 ZINC000005739954 368564591 /nfs/dbraw/zinc/56/45/91/368564591.db2.gz VZMXBGPCOKDQDD-UHFFFAOYSA-N 0 3 288.420 3.182 40 0 CGABHN Cc1ccc(CNCc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013998841 368672352 /nfs/dbraw/zinc/67/23/52/368672352.db2.gz QDKUSEOVZSIRQI-UHFFFAOYSA-N 0 3 292.382 3.435 40 0 CGABHN Fc1ccc([C@@H]2COC[C@H]2NCc2cccs2)cc1 ZINC000019343755 368747808 /nfs/dbraw/zinc/74/78/08/368747808.db2.gz RUTAWRJGMADKPS-LSDHHAIUSA-N 0 3 277.364 3.159 40 0 CGABHN c1c([C@H]2CCCCCN2)noc1-c1ccc2c(c1)OCO2 ZINC000019346359 368748973 /nfs/dbraw/zinc/74/89/73/368748973.db2.gz DRZXMKVBTJXTMR-GFCCVEGCSA-N 0 3 286.331 3.275 40 0 CGABHN CCCC[C@@H](CC)COC[C@H](O)CNCc1ccccc1 ZINC000026897429 368865313 /nfs/dbraw/zinc/86/53/13/368865313.db2.gz FEKQTLCLFPIWFZ-SJLPKXTDSA-N 0 3 293.451 3.370 40 0 CGABHN CCc1cccc(C)c1NC(=O)CC1CCN(C)CC1 ZINC000074920995 369890392 /nfs/dbraw/zinc/89/03/92/369890392.db2.gz ALKNBXGUQIXITB-UHFFFAOYSA-N 0 3 274.408 3.228 40 0 CGABHN Cc1c(Cl)cccc1NC(=O)CC1CCN(C)CC1 ZINC000074921006 369890524 /nfs/dbraw/zinc/89/05/24/369890524.db2.gz KHVLWLVFURJOES-UHFFFAOYSA-N 0 3 280.799 3.319 40 0 CGABHN CCN1C(=O)CC[C@@]12CCCN(Cc1cccs1)CC2 ZINC000096217674 370208398 /nfs/dbraw/zinc/20/83/98/370208398.db2.gz TULDFJMRTSVMJD-MRXNPFEDSA-N 0 3 292.448 3.115 40 0 CGABHN c1cc(CN2CC[C@]3(C2)CCCN(c2ccccn2)C3)co1 ZINC000096216629 370208900 /nfs/dbraw/zinc/20/89/00/370208900.db2.gz ZXEMTJHLKFXPOH-SFHVURJKSA-N 0 3 297.402 3.167 40 0 CGABHN Cc1cc(F)c(CN[C@@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000334566872 374867421 /nfs/dbraw/zinc/86/74/21/374867421.db2.gz QYNRAAYMAMISIJ-LLVKDONJSA-N 0 3 293.773 3.089 40 0 CGABHN Cc1ccc(CN2CCC(Cc3ccncc3)CC2)cn1 ZINC000257266108 190023170 /nfs/dbraw/zinc/02/31/70/190023170.db2.gz MBPWLJZCWDWSDH-UHFFFAOYSA-N 0 3 281.403 3.240 40 0 CGABHN COCCN[C@@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225169588 376297512 /nfs/dbraw/zinc/29/75/12/376297512.db2.gz IHQXSSYJPQBXJF-ZDUSSCGKSA-N 0 3 263.381 3.305 40 0 CGABHN CCOCCNCc1cc2ccccc2c(OCC)c1 ZINC000096527838 256730872 /nfs/dbraw/zinc/73/08/72/256730872.db2.gz KIAXTQSDXWTPQT-UHFFFAOYSA-N 0 3 273.376 3.365 40 0 CGABHN CC1(C)CCC2=C(C1)NCC1(C2)C(=O)CC(C)(C)CC1=O ZINC000001720676 391913155 /nfs/dbraw/zinc/91/31/55/391913155.db2.gz VEOQXFFZKXMUOF-UHFFFAOYSA-N 0 3 289.419 3.389 40 0 CGABHN CC1=C2C(C)=CC(=O)O[C@H]2N(c2ccc(C)c(Cl)c2)N1 ZINC000059416954 392117547 /nfs/dbraw/zinc/11/75/47/392117547.db2.gz ZRBAITHXDBBELJ-LSDHHAIUSA-N 0 3 290.750 3.290 40 0 CGABHN CN1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212004 392197523 /nfs/dbraw/zinc/19/75/23/392197523.db2.gz VHQKLEXLXFXILK-MRXNPFEDSA-N 0 3 268.360 3.427 40 0 CGABHN Nc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072212407 392197685 /nfs/dbraw/zinc/19/76/85/392197685.db2.gz DEQOKLHMLXXKIK-OAHLLOKOSA-N 0 3 253.349 3.001 40 0 CGABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1ncccc1C ZINC000257267111 393136085 /nfs/dbraw/zinc/13/60/85/393136085.db2.gz MGACSVYWLVNFTB-OAHLLOKOSA-N 0 3 270.380 3.149 40 0 CGABHN Cc1ccc(OC[C@@H](O)CN2CCCC2)c(C(C)(C)C)c1 ZINC000026781111 171499374 /nfs/dbraw/zinc/49/93/74/171499374.db2.gz RQDWJXHTEFYTDU-HNNXBMFYSA-N 0 3 291.435 3.128 40 0 CGABHN CN1CCC[C@H](c2cccc(C(=O)Nc3ccccc3)n2)C1 ZINC000072359253 176377131 /nfs/dbraw/zinc/37/71/31/176377131.db2.gz JGKOJKUOHIWISJ-AWEZNQCLSA-N 0 3 295.386 3.143 40 0 CGABHN C[C@@H](N)c1scc(Br)c1Br ZINC000085391246 278319319 /nfs/dbraw/zinc/31/93/19/278319319.db2.gz LFKKUBICHHRNSK-GSVOUGTGSA-N 0 3 285.004 3.293 40 0 CGABHN CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1 ZINC000072208963 280312611 /nfs/dbraw/zinc/31/26/11/280312611.db2.gz JIMJVFSLVVNKKW-KGLIPLIRSA-N 0 3 278.396 3.236 40 0 CGABHN CN(C)Cc1ccccc1COC(=O)c1ccccc1 ZINC000001716130 368434757 /nfs/dbraw/zinc/43/47/57/368434757.db2.gz FUOZEHDCNWRIAJ-UHFFFAOYSA-N 0 3 269.344 3.105 40 0 CGABHN C[C@@H]1[C@@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004011406 368525962 /nfs/dbraw/zinc/52/59/62/368525962.db2.gz RUYRAUWKVSWJFK-ZSGPHXLJSA-N 0 3 267.372 3.459 40 0 CGABHN CCOC(=O)c1[nH]c(C)c(/C=C/C2=CCN(C)CC2)c1C ZINC000012143036 368605075 /nfs/dbraw/zinc/60/50/75/368605075.db2.gz FMKWKLBVLYAYNW-VOTSOKGWSA-N 0 3 288.391 3.083 40 0 CGABHN Fc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019334711 368748336 /nfs/dbraw/zinc/74/83/36/368748336.db2.gz LEAWLHVOOWLEHO-DLBZAZTESA-N 0 3 289.325 3.237 40 0 CGABHN CCc1cc(C(=O)N[C@@H](C)CN2CCCCCC2)cs1 ZINC000019522125 368756323 /nfs/dbraw/zinc/75/63/23/368756323.db2.gz IFPJJDBQZRXQTI-ZDUSSCGKSA-N 0 3 294.464 3.305 40 0 CGABHN CC(C)c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000027932549 368878048 /nfs/dbraw/zinc/87/80/48/368878048.db2.gz USRTXBVXDNGOSD-INIZCTEOSA-N 0 3 287.407 3.122 40 0 CGABHN OC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCCC1 ZINC000070453126 369799841 /nfs/dbraw/zinc/79/98/41/369799841.db2.gz JOHPZSUHNXTCCN-CYBMUJFWSA-N 0 3 289.297 3.105 40 0 CGABHN CN1CCC(CC(=O)Nc2ccccc2Cl)CC1 ZINC000074921003 369890639 /nfs/dbraw/zinc/89/06/39/369890639.db2.gz IKAZZUKTFSNOJI-UHFFFAOYSA-N 0 3 266.772 3.010 40 0 CGABHN CC(C)N1CCC(O)(c2cc(F)cc(Cl)c2)CC1 ZINC000079030384 369960088 /nfs/dbraw/zinc/96/00/88/369960088.db2.gz TXKFQGNOSMGRGJ-UHFFFAOYSA-N 0 3 271.763 3.171 40 0 CGABHN CCOc1cc(CN2CC[C@H](CC)C2)ccc1OC ZINC000091929651 370081127 /nfs/dbraw/zinc/08/11/27/370081127.db2.gz ADABDHPILACLIK-ZDUSSCGKSA-N 0 3 263.381 3.326 40 0 CGABHN Cc1cccc(CN2CCC[C@@H](c3nccs3)C2)n1 ZINC000257202134 190010968 /nfs/dbraw/zinc/01/09/68/190010968.db2.gz AKQDPKYZXBLFPV-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN CN1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257285610 190027143 /nfs/dbraw/zinc/02/71/43/190027143.db2.gz PHYJMFMVFXFBBZ-ZDUSSCGKSA-N 0 3 274.339 3.214 40 0 CGABHN CN[C@@H](c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207639 392195989 /nfs/dbraw/zinc/19/59/89/392195989.db2.gz LVCAAGRDHHKLEF-CABCVRRESA-N 0 3 292.423 3.496 40 0 CGABHN COc1ccccc1Cc1cccc(C2CCN(C)CC2)n1 ZINC000072348580 176373814 /nfs/dbraw/zinc/37/38/14/176373814.db2.gz IMINTKFTGUNKQS-UHFFFAOYSA-N 0 3 296.414 3.490 40 0 CGABHN Cc1cccc(-c2cncc([C@H]3CCCN(C)C3)n2)c1 ZINC000072359270 176376953 /nfs/dbraw/zinc/37/69/53/176376953.db2.gz SGLXAQOLRGQOIN-HNNXBMFYSA-N 0 3 267.376 3.261 40 0 CGABHN Cc1ccsc1CN1CCC[C@@H](c2cnccn2)C1 ZINC000072369371 176383852 /nfs/dbraw/zinc/38/38/52/176383852.db2.gz SXQZXDHIDRAXMO-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1cc(C)nc([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000072384954 176388973 /nfs/dbraw/zinc/38/89/73/176388973.db2.gz FLVPXSIIJIMHOM-MRXNPFEDSA-N 0 3 267.376 3.083 40 0 CGABHN CN(C)C[C@](C)(Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000001843239 289222666 /nfs/dbraw/zinc/22/26/66/289222666.db2.gz VLTKRRBYKMGKNV-ROUUACIJSA-N 0 3 285.387 3.119 40 0 CGABHN Nc1ncccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072212408 295372027 /nfs/dbraw/zinc/37/20/27/295372027.db2.gz DEQOKLHMLXXKIK-HNNXBMFYSA-N 0 3 253.349 3.001 40 0 CGABHN COc1cc(C=O)ccc1OCCN1[C@@H](C)CCC[C@@H]1C ZINC000217789154 533719940 /nfs/dbraw/zinc/71/99/40/533719940.db2.gz BGJXXLPIECDXQG-KBPBESRZSA-N 0 3 291.391 3.149 40 0 CGABHN CCn1cc(Cc2cccc(C(F)(F)F)c2)nc1N ZINC000199550198 567906292 /nfs/dbraw/zinc/90/62/92/567906292.db2.gz LHQWNVMDFBFIFP-UHFFFAOYSA-N 0 3 269.270 3.095 40 0 CGABHN OC1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034148519 344938030 /nfs/dbraw/zinc/93/80/30/344938030.db2.gz MEBUBVULCPVIME-UHFFFAOYSA-N 0 3 267.372 3.233 40 0 CGABHN CN(C)C[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001670707 368428446 /nfs/dbraw/zinc/42/84/46/368428446.db2.gz XEUOPBITPYQCMJ-IRXDYDNUSA-N 0 3 255.361 3.065 40 0 CGABHN Cc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019210419 368745852 /nfs/dbraw/zinc/74/58/52/368745852.db2.gz SYIYZFKTRFPGTL-ZWKOTPCHSA-N 0 3 285.362 3.406 40 0 CGABHN Fc1ccc([C@@H]2COC[C@H]2NCc2cccc(F)c2)cc1 ZINC000019293934 368748789 /nfs/dbraw/zinc/74/87/89/368748789.db2.gz NPDDOBSFRNEKTB-DLBZAZTESA-N 0 3 289.325 3.237 40 0 CGABHN OC1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1 ZINC000034125725 368972903 /nfs/dbraw/zinc/97/29/03/368972903.db2.gz ARBZKKLGGAUOCR-UHFFFAOYSA-N 0 3 285.362 3.309 40 0 CGABHN CC[C@@H](C)Oc1ccc(CNC[C@H]2CCCO2)cc1OC ZINC000066115668 369687914 /nfs/dbraw/zinc/68/79/14/369687914.db2.gz DMZRMQMRLZZUJU-UKRRQHHQSA-N 0 3 293.407 3.141 40 0 CGABHN CN1CCC[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000082337377 370002859 /nfs/dbraw/zinc/00/28/59/370002859.db2.gz RRCYGZRZBYQPDA-SECBINFHSA-N 0 3 287.190 3.274 40 0 CGABHN c1cc(CN2CCc3ncnc(C4CC4)c3CC2)cs1 ZINC000096255071 370209517 /nfs/dbraw/zinc/20/95/17/370209517.db2.gz RIKUMKCGYLZMMO-UHFFFAOYSA-N 0 3 285.416 3.016 40 0 CGABHN Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)s1 ZINC000257216192 190013662 /nfs/dbraw/zinc/01/36/62/190013662.db2.gz CTNGCQUTTKCLQC-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN CCCOc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 ZINC000225161831 376296284 /nfs/dbraw/zinc/29/62/84/376296284.db2.gz XJUHXZSRFBKDGD-KGLIPLIRSA-N 0 3 263.381 3.305 40 0 CGABHN CC[C@@H](C)Oc1ccc([C@H](C)NCCOC)cc1 ZINC000225169752 376297460 /nfs/dbraw/zinc/29/74/60/376297460.db2.gz PEMSCOJQOXXGFM-OLZOCXBDSA-N 0 3 251.370 3.161 40 0 CGABHN Cc1ccc([C@@H]2SC(=N)N[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000253566005 377698970 /nfs/dbraw/zinc/69/89/70/377698970.db2.gz ILDUQMPCSDTLHJ-JYJNAYRXSA-N 0 3 298.411 3.200 40 0 CGABHN Cc1cc([C@@H](C)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000282874405 380004783 /nfs/dbraw/zinc/00/47/83/380004783.db2.gz VJPPWEPSARJEBZ-OAHLLOKOSA-N 0 3 299.418 3.298 40 0 CGABHN C[C@@H]1CCCN([C@@H](CN)c2c(F)cccc2Cl)C1 ZINC000022178477 296400174 /nfs/dbraw/zinc/40/01/74/296400174.db2.gz MGGRPVFTHDOROX-MFKMUULPSA-N 0 3 270.779 3.211 40 0 CGABHN CCN1CCC[C@@H]1CN(Cc1ccoc1)Cc1ccncc1 ZINC000022913918 285253527 /nfs/dbraw/zinc/25/35/27/285253527.db2.gz RFIBVJAMPOYDAI-GOSISDBHSA-N 0 3 299.418 3.161 40 0 CGABHN CCO[C@@H]1CC2(CCN(C)CC2)c2cc(OC)ccc21 ZINC000096241875 392246318 /nfs/dbraw/zinc/24/63/18/392246318.db2.gz JNNJDJSVBLJSBO-MRXNPFEDSA-N 0 3 275.392 3.140 40 0 CGABHN CC1CCN([C@H](CN)c2ccccc2C(F)(F)F)CC1 ZINC000095532284 392244215 /nfs/dbraw/zinc/24/42/15/392244215.db2.gz RHNNCDOJOWDLRB-CQSZACIVSA-N 0 3 286.341 3.437 40 0 CGABHN CCN(CC)Cc1c(C)[nH]c2c(OC)cccc2c1=O ZINC000005499420 170104794 /nfs/dbraw/zinc/10/47/94/170104794.db2.gz GDEIRKCAARMZOP-UHFFFAOYSA-N 0 3 274.364 3.099 40 0 CGABHN COc1cc(C=O)ccc1OCCCN1CCCC[C@H]1C ZINC000008731553 170351215 /nfs/dbraw/zinc/35/12/15/170351215.db2.gz YDSXYOFZQQVXGL-CQSZACIVSA-N 0 3 291.391 3.151 40 0 CGABHN NC[C@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000038827617 174156610 /nfs/dbraw/zinc/15/66/10/174156610.db2.gz PAUUGIUYNYWNGL-GFCCVEGCSA-N 0 3 259.180 3.089 40 0 CGABHN CN1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 ZINC000072358363 176376209 /nfs/dbraw/zinc/37/62/09/176376209.db2.gz QMRVSWBWEAXRTQ-GFCCVEGCSA-N 0 3 271.339 3.092 40 0 CGABHN COc1ccc(C)cc1CN1CCC[C@@H](c2cnccn2)C1 ZINC000072373121 176384613 /nfs/dbraw/zinc/38/46/13/176384613.db2.gz KQWIQVJTWDYNQC-OAHLLOKOSA-N 0 3 297.402 3.173 40 0 CGABHN NCc1cc2c(Br)cccc2nc1Cl ZINC000685936975 544109304 /nfs/dbraw/zinc/10/93/04/544109304.db2.gz GJXFSXKYBSNBSA-UHFFFAOYSA-N 0 3 271.545 3.109 40 0 CGABHN Cc1cc(C)nc(NCCNCc2ccc(C(C)C)cc2)n1 ZINC000062717872 262301703 /nfs/dbraw/zinc/30/17/03/262301703.db2.gz CSMVXQFUWQPADX-UHFFFAOYSA-N 0 3 298.434 3.419 40 0 CGABHN O[C@H]1CCCN(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000012647712 265379522 /nfs/dbraw/zinc/37/95/22/265379522.db2.gz FPHQSHFUYFORCS-ROUUACIJSA-N 0 3 267.372 3.385 40 0 CGABHN CCCCc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000096624961 185108198 /nfs/dbraw/zinc/10/81/98/185108198.db2.gz GYRMDZSVWJJURN-UHFFFAOYSA-N 0 3 274.408 3.310 40 0 CGABHN CN1CC[C@H]2[C@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000584578362 346684129 /nfs/dbraw/zinc/68/41/29/346684129.db2.gz OFPJOWXBDHSDOQ-MJGOQNOKSA-N 0 3 278.399 3.495 40 0 CGABHN CN(C)CC[C@H](O)c1ccc2c(c1)c1ccccc1n2C ZINC000001597643 368422411 /nfs/dbraw/zinc/42/24/11/368422411.db2.gz YNBJJYAOMKRVPO-SFHVURJKSA-N 0 3 282.387 3.317 40 0 CGABHN Cc1cccc(NC(=O)NCCN(C)Cc2ccccc2)c1 ZINC000001668123 368428969 /nfs/dbraw/zinc/42/89/69/368428969.db2.gz NNOXTUJBIZGNDQ-UHFFFAOYSA-N 0 3 297.402 3.249 40 0 CGABHN CN[C@H](Cc1ccccc1)c1cccc(OC)c1OC ZINC000003636364 368516344 /nfs/dbraw/zinc/51/63/44/368516344.db2.gz JTFSNJPJULQHQZ-OAHLLOKOSA-N 0 3 271.360 3.207 40 0 CGABHN CN1CC=C(/C=C/c2ccc(Sc3ncccn3)o2)CC1 ZINC000012154295 368605331 /nfs/dbraw/zinc/60/53/31/368605331.db2.gz OJARZUJTTMNBCS-ONEGZZNKSA-N 0 3 299.399 3.496 40 0 CGABHN Cc1ccccc1CN(CCO)Cc1cccs1 ZINC000013997393 368672477 /nfs/dbraw/zinc/67/24/77/368672477.db2.gz IVXQBGSRBLWMOP-UHFFFAOYSA-N 0 3 261.390 3.051 40 0 CGABHN c1cnc2[nH]c([C@H]3CCCO3)c(CN3CCCCC3)c2c1 ZINC000019345199 368747947 /nfs/dbraw/zinc/74/79/47/368747947.db2.gz WAJRBEOFRZNFOE-OAHLLOKOSA-N 0 3 285.391 3.400 40 0 CGABHN CCCCOc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000020092422 368800993 /nfs/dbraw/zinc/80/09/93/368800993.db2.gz NEUGDEOKMJTOOO-INIZCTEOSA-N 0 3 263.381 3.134 40 0 CGABHN Cc1cccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c1C ZINC000026780523 368864048 /nfs/dbraw/zinc/86/40/48/368864048.db2.gz ZDVNGNUZRJZLAN-AEFFLSMTSA-N 0 3 299.414 3.394 40 0 CGABHN CCCCNCC(=O)Nc1ccccc1N1CCCCC1 ZINC000035311480 369003365 /nfs/dbraw/zinc/00/33/65/369003365.db2.gz YZVLAIADHWAOID-UHFFFAOYSA-N 0 3 289.423 3.005 40 0 CGABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1scnc1C ZINC000257253146 190020600 /nfs/dbraw/zinc/02/06/00/190020600.db2.gz JXSVUVUCAFQNSB-LBPRGKRZSA-N 0 3 276.409 3.210 40 0 CGABHN CC(C)n1nccc1-c1cccc([C@@H]2CCCN2C)n1 ZINC000257295944 190028694 /nfs/dbraw/zinc/02/86/94/190028694.db2.gz RANYDLIQHBOCMF-HNNXBMFYSA-N 0 3 270.380 3.293 40 0 CGABHN Cn1c(CNCc2ccccc2)ccc1Cc1ccco1 ZINC000226021439 376339621 /nfs/dbraw/zinc/33/96/21/376339621.db2.gz DBEWDTNPRCDOKL-UHFFFAOYSA-N 0 3 280.371 3.499 40 0 CGABHN CN1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257315274 377796667 /nfs/dbraw/zinc/79/66/67/377796667.db2.gz VAPHJIJMLMBMRP-XOUADPBQSA-N 0 3 273.376 3.008 40 0 CGABHN CCOc1cccc(CN2CCC(C)(OC)CC2)c1 ZINC000272358364 378620066 /nfs/dbraw/zinc/62/00/66/378620066.db2.gz MIZJLEXJCCBKCY-UHFFFAOYSA-N 0 3 263.381 3.086 40 0 CGABHN CCN1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216094 285289464 /nfs/dbraw/zinc/28/94/64/285289464.db2.gz LDIARBLEWKFEPN-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CC=CCC2)c1 ZINC000001668971 391913646 /nfs/dbraw/zinc/91/36/46/391913646.db2.gz DOMNTPJHPATAFO-INIZCTEOSA-N 0 3 289.419 3.120 40 0 CGABHN c1ccc(COc2ccc([C@@H]3CCCCN3)cn2)cc1 ZINC000072212031 392197533 /nfs/dbraw/zinc/19/75/33/392197533.db2.gz CMAAQRRMZLBURO-INIZCTEOSA-N 0 3 268.360 3.475 40 0 CGABHN Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1C ZINC000072219206 392200464 /nfs/dbraw/zinc/20/04/64/392200464.db2.gz DXOIDGIHFXEZEH-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN Cc1cc(N)ncc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072218489 392200518 /nfs/dbraw/zinc/20/05/18/392200518.db2.gz CSLVOZBAPRHDDP-INIZCTEOSA-N 0 3 267.376 3.309 40 0 CGABHN Cc1cc(N2CCCCC2)ncc1[C@H](N)c1ccccc1 ZINC000072223507 392202960 /nfs/dbraw/zinc/20/29/60/392202960.db2.gz FQWFRQZPXNLNGY-GOSISDBHSA-N 0 3 281.403 3.428 40 0 CGABHN CC(C)(CO)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000006883167 170252923 /nfs/dbraw/zinc/25/29/23/170252923.db2.gz KAVWAALIDBYGIN-UHFFFAOYSA-N 0 3 279.767 3.461 40 0 CGABHN COCCNCc1cccc(OCc2ccc(F)cc2)c1 ZINC000008469228 170336877 /nfs/dbraw/zinc/33/68/77/170336877.db2.gz KTGKHGGWTQVFOW-UHFFFAOYSA-N 0 3 289.350 3.141 40 0 CGABHN OCC1C[C@@H](c2ccccc2)N[C@H](c2ccccc2)C1 ZINC000072232668 176344067 /nfs/dbraw/zinc/34/40/67/176344067.db2.gz OFWYWXACEZCAMH-ROUUACIJSA-N 0 3 267.372 3.461 40 0 CGABHN CCN(CC)CCOC(=O)C[C@@H](C)c1ccccc1 ZINC000255190202 567110613 /nfs/dbraw/zinc/11/06/13/567110613.db2.gz VPPXECZMBUTPGE-CQSZACIVSA-N 0 3 263.381 3.065 40 0 CGABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096039314 185069541 /nfs/dbraw/zinc/06/95/41/185069541.db2.gz LAAKIQNSRBQHRA-CVEARBPZSA-N 0 3 295.448 3.156 40 0 CGABHN CC(C)Oc1ccccc1[C@@H](C)NC[C@H]1CCCO1 ZINC000128157591 187354542 /nfs/dbraw/zinc/35/45/42/187354542.db2.gz JCSFYSCQPWVAPP-ZIAGYGMSSA-N 0 3 263.381 3.303 40 0 CGABHN CN1CC[C@@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102298 346724712 /nfs/dbraw/zinc/72/47/12/346724712.db2.gz WOFPUJNGCOCGQE-LJQANCHMSA-N 0 3 294.398 3.150 40 0 CGABHN CC[C@@H]1C[C@H](CNC(=O)OCCN(CC)CC)C1(C)C ZINC000004191301 368535175 /nfs/dbraw/zinc/53/51/75/368535175.db2.gz CZZWABSJFGCIPD-ZIAGYGMSSA-N 0 3 284.444 3.127 40 0 CGABHN c1c2cccnc2[nH]c1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000019346915 368748942 /nfs/dbraw/zinc/74/89/42/368748942.db2.gz HZSACAQHSUAIAE-MRXNPFEDSA-N 0 3 292.386 3.338 40 0 CGABHN Cc1ccc(CN2CC[C@H](c3nnc(C(C)(C)C)o3)C2)o1 ZINC000049170645 369390992 /nfs/dbraw/zinc/39/09/92/369390992.db2.gz GXKHJLUEQTVRAZ-LBPRGKRZSA-N 0 3 289.379 3.258 40 0 biogenic,in-vitro CGABHN CN1CCC(C(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000074713452 369886654 /nfs/dbraw/zinc/88/66/54/369886654.db2.gz MPXPHPBRMXXSFU-UHFFFAOYSA-N 0 3 287.190 3.274 40 0 CGABHN CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000079620975 369973190 /nfs/dbraw/zinc/97/31/90/369973190.db2.gz YPTUKDMLIHJEST-HNNXBMFYSA-N 0 3 288.435 3.059 40 0 CGABHN CNc1ncccc1CN1CCC[C@H]1CCc1ccncc1 ZINC000257233966 190016696 /nfs/dbraw/zinc/01/66/96/190016696.db2.gz GRNMOMBULFGJCG-KRWDZBQOSA-N 0 3 296.418 3.116 40 0 CGABHN c1ccc(CN2CCC[C@@H]2CCc2ccncc2)nc1 ZINC000257333848 190035321 /nfs/dbraw/zinc/03/53/21/190035321.db2.gz YDIXZXDYQQOEKS-QGZVFWFLSA-N 0 3 267.376 3.074 40 0 CGABHN COCCN[C@H](C)c1cccc(OCC(C)C)c1 ZINC000225166377 376296937 /nfs/dbraw/zinc/29/69/37/376296937.db2.gz LNDOANFGPHDOOL-CYBMUJFWSA-N 0 3 251.370 3.018 40 0 CGABHN CC(C)[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000225205429 376298233 /nfs/dbraw/zinc/29/82/33/376298233.db2.gz JHQDKDMQLDRIKF-OAHLLOKOSA-N 0 3 288.435 3.447 40 0 CGABHN CCCCCCn1cc(-c2nc(CN)cs2)cn1 ZINC000095093940 392242718 /nfs/dbraw/zinc/24/27/18/392242718.db2.gz MBSZXFQIPJKRBK-UHFFFAOYSA-N 0 3 264.398 3.046 40 0 CGABHN Cc1nc(NC2CC2)ccc1[C@H](N)c1ccccc1 ZINC000072224862 392204230 /nfs/dbraw/zinc/20/42/30/392204230.db2.gz QAMFOFOOKPNBKS-MRXNPFEDSA-N 0 3 253.349 3.012 40 0 CGABHN Cc1c(Cl)cccc1NC(=O)[C@@H](C)NCC(C)C ZINC000006520518 170209141 /nfs/dbraw/zinc/20/91/41/170209141.db2.gz HAACJDGALSSNNZ-LLVKDONJSA-N 0 3 268.788 3.221 40 0 CGABHN CC[C@@H]1CCCCN1CCOc1ccc(C=O)cc1 ZINC000020131540 171020251 /nfs/dbraw/zinc/02/02/51/171020251.db2.gz RAPRUKAIXIUSDA-OAHLLOKOSA-N 0 3 261.365 3.142 40 0 CGABHN CC[C@@H]1CCCCN1CCOc1ccc(C=O)cc1OC ZINC000020131561 171020269 /nfs/dbraw/zinc/02/02/69/171020269.db2.gz NJGDWSPTZNZAOS-OAHLLOKOSA-N 0 3 291.391 3.151 40 0 CGABHN CC(C)(C)NCC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000022001956 171348139 /nfs/dbraw/zinc/34/81/39/171348139.db2.gz QWIQLKPBFDBNMD-UHFFFAOYSA-N 0 3 275.179 3.146 40 0 in-vitro CGABHN CCOC(=O)C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000038879634 174158868 /nfs/dbraw/zinc/15/88/68/174158868.db2.gz NGMZCGXHFZXPNM-ALOPSCKCSA-N 0 3 287.403 3.383 40 0 CGABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C(C)C ZINC000079420420 177487130 /nfs/dbraw/zinc/48/71/30/177487130.db2.gz OHZJDCFWJHRQRN-AWEZNQCLSA-N 0 3 282.815 3.060 40 0 CGABHN CN1CCCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216116 277045404 /nfs/dbraw/zinc/04/54/04/277045404.db2.gz JWFXCMCTMMMFFT-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN CCCN1CCCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218638 283321489 /nfs/dbraw/zinc/32/14/89/283321489.db2.gz SARUFQROCWEPON-OAHLLOKOSA-N 0 3 261.413 3.393 40 0 CGABHN CC(C)(C)OC(=O)N[C@H](CN)c1ccc2ccccc2c1 ZINC000012357234 368609356 /nfs/dbraw/zinc/60/93/56/368609356.db2.gz PXZWEXYHJVPBJP-OAHLLOKOSA-N 0 3 286.375 3.364 40 0 CGABHN CNCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000016477712 368713760 /nfs/dbraw/zinc/71/37/60/368713760.db2.gz VWKLLWKCGFZTNJ-UHFFFAOYSA-N 0 3 290.750 3.290 40 0 CGABHN N[C@@H](c1ccc(O)cc1)c1cccc(Br)c1 ZINC000016697350 368720117 /nfs/dbraw/zinc/72/01/17/368720117.db2.gz QEYJAQHOURMNGR-ZDUSSCGKSA-N 0 3 278.149 3.203 40 0 CGABHN CCCN(CCC)Cc1ccc(C(=O)OC(C)C)o1 ZINC000037625081 369093659 /nfs/dbraw/zinc/09/36/59/369093659.db2.gz SJQNOSLFUYHXAY-UHFFFAOYSA-N 0 3 267.369 3.467 40 0 CGABHN CCN1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636237 369863029 /nfs/dbraw/zinc/86/30/29/369863029.db2.gz ATMDZLROVJWCJZ-UHFFFAOYSA-N 0 3 261.756 3.325 40 0 CGABHN CCc1cccc(CC)c1NC(=O)C1CCN(C)CC1 ZINC000082323813 370002265 /nfs/dbraw/zinc/00/22/65/370002265.db2.gz SXMCKJGVLZCWLS-UHFFFAOYSA-N 0 3 274.408 3.092 40 0 CGABHN CC(C)n1nccc1-c1cccc([C@@H]2CCCN(C)C2)n1 ZINC000257214586 190013076 /nfs/dbraw/zinc/01/30/76/190013076.db2.gz CMOARKOIDLTJDJ-CQSZACIVSA-N 0 3 284.407 3.335 40 0 CGABHN Cc1nccc([C@@H]2CCCN(CCc3ccc(F)cc3)C2)n1 ZINC000257248163 190019881 /nfs/dbraw/zinc/01/98/81/190019881.db2.gz JCKBHPVZPCODGC-MRXNPFEDSA-N 0 3 299.393 3.346 40 0 CGABHN COCCCN[C@H](C)c1ccccc1OCC(C)C ZINC000225161597 376297126 /nfs/dbraw/zinc/29/71/26/376297126.db2.gz CQXPHWKUOJNBSB-CQSZACIVSA-N 0 3 265.397 3.409 40 0 CGABHN CC(C)COC1CC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096159306 256813104 /nfs/dbraw/zinc/81/31/04/256813104.db2.gz HAWUDEBABUBBAW-UHFFFAOYSA-N 0 3 288.435 3.499 40 0 CGABHN CN[C@@H](c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207638 392195351 /nfs/dbraw/zinc/19/53/51/392195351.db2.gz LVCAAGRDHHKLEF-GJZGRUSLSA-N 0 3 292.423 3.496 40 0 CGABHN CC(C)N(c1ccc([C@@H]2CCCN2C)cn1)C(C)C ZINC000072212941 392198752 /nfs/dbraw/zinc/19/87/52/392198752.db2.gz JQXDYZLZPOGTLJ-HNNXBMFYSA-N 0 3 261.413 3.472 40 0 CGABHN CCN(CC)c1ccc([C@H](N)c2ccccc2)c(C)n1 ZINC000072224312 392203239 /nfs/dbraw/zinc/20/32/39/392203239.db2.gz LOMHFHVNLCMWDC-QGZVFWFLSA-N 0 3 269.392 3.284 40 0 CGABHN CC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)[C@H](C)N ZINC000079420298 392220440 /nfs/dbraw/zinc/22/04/40/392220440.db2.gz HZYPYHMBGZWCAH-VIFPVBQESA-N 0 3 289.206 3.078 40 0 CGABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1ncccc1C ZINC000257267110 393135722 /nfs/dbraw/zinc/13/57/22/393135722.db2.gz MGACSVYWLVNFTB-HNNXBMFYSA-N 0 3 270.380 3.149 40 0 CGABHN CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 ZINC000072209125 397640174 /nfs/dbraw/zinc/64/01/74/397640174.db2.gz LFCZCKNFRHPTNB-NSHDSACASA-N 0 3 293.754 3.213 40 0 CGABHN CCOc1cc(CNCc2ccccc2)ccc1OC ZINC000008254362 170327334 /nfs/dbraw/zinc/32/73/34/170327334.db2.gz FSJMLJQFRDWDPT-UHFFFAOYSA-N 0 3 271.360 3.384 40 0 CGABHN CC(C)CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000037547526 173264711 /nfs/dbraw/zinc/26/47/11/173264711.db2.gz IONQYHQPEMCTRL-UHFFFAOYSA-N 0 3 288.435 3.304 40 0 CGABHN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000044137728 175146076 /nfs/dbraw/zinc/14/60/76/175146076.db2.gz CAAZPJWHENFKCC-OAHLLOKOSA-N 0 3 290.407 3.128 40 0 CGABHN CN1CCC[C@@H](c2ccc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365258 176380365 /nfs/dbraw/zinc/38/03/65/176380365.db2.gz CNMCJFWFIIJTHM-QGZVFWFLSA-N 0 3 282.387 3.050 40 0 CGABHN Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1C ZINC000072218935 279089666 /nfs/dbraw/zinc/08/96/66/279089666.db2.gz MKAFEOKQMIHKFL-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000096048105 185072308 /nfs/dbraw/zinc/07/23/08/185072308.db2.gz RFEVOCVVZDSZBF-AWEZNQCLSA-N 0 3 295.448 3.217 40 0 CGABHN C[C@H]1CCCN([C@H](CN)c2c(F)cccc2Cl)C1 ZINC000108349963 345936645 /nfs/dbraw/zinc/93/66/45/345936645.db2.gz MGGRPVFTHDOROX-GXFFZTMASA-N 0 3 270.779 3.211 40 0 CGABHN CC[C@H]1C[C@H](CNC(=O)OCCN(CC)CC)C1(C)C ZINC000004191302 368534753 /nfs/dbraw/zinc/53/47/53/368534753.db2.gz CZZWABSJFGCIPD-UONOGXRCSA-N 0 3 284.444 3.127 40 0 CGABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(OC)c1O ZINC000004255590 368539131 /nfs/dbraw/zinc/53/91/31/368539131.db2.gz XVPRDKDPCAEZNC-LBPRGKRZSA-N 0 3 287.359 3.260 40 0 CGABHN CC(C)(C)c1noc([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000019084643 368743788 /nfs/dbraw/zinc/74/37/88/368743788.db2.gz CGEOFBNCCLZOMH-CQSZACIVSA-N 0 3 285.391 3.357 40 0 CGABHN CN1CCC(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000072793311 369838009 /nfs/dbraw/zinc/83/80/09/369838009.db2.gz CJZJBRVAZGYPQL-UHFFFAOYSA-N 0 3 287.190 3.274 40 0 CGABHN Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257201140 190011017 /nfs/dbraw/zinc/01/10/17/190011017.db2.gz AGLRBVCBPOVSHF-MRXNPFEDSA-N 0 3 267.376 3.165 40 0 CGABHN Cc1cn(C)c([C@@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000257272803 190024736 /nfs/dbraw/zinc/02/47/36/190024736.db2.gz NDYDFUXKOIRVGV-CQSZACIVSA-N 0 3 275.421 3.170 40 0 CGABHN CCn1cc(CN2CCC[C@@H](c3nccs3)C2)c(C)n1 ZINC000257295023 190028854 /nfs/dbraw/zinc/02/88/54/190028854.db2.gz QWPZATUHZIXLPS-CYBMUJFWSA-N 0 3 290.436 3.048 40 0 CGABHN C[C@@H]1CCC[C@@H](C)N1CCOc1ccc(C=O)cc1 ZINC000217788246 262344418 /nfs/dbraw/zinc/34/44/18/262344418.db2.gz SBNDMMYUZXEZDP-ZIAGYGMSSA-N 0 3 261.365 3.141 40 0 CGABHN CC1=C2C(C)=CC(=O)O[C@@H]2N(c2ccc(C)c(Cl)c2)N1 ZINC000059416955 392117966 /nfs/dbraw/zinc/11/79/66/392117966.db2.gz ZRBAITHXDBBELJ-CABCVRRESA-N 0 3 290.750 3.290 40 0 CGABHN COc1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072211655 392197189 /nfs/dbraw/zinc/19/71/89/392197189.db2.gz ZRDQMYXDLAKLOY-MRXNPFEDSA-N 0 3 268.360 3.427 40 0 CGABHN CCN(CC)c1ncccc1[C@@H]1CCCCN1CC ZINC000072212913 392199082 /nfs/dbraw/zinc/19/90/82/392199082.db2.gz ICHUSEGNFSNMCK-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN CC[C@@H](CO)NCc1cccc(OCc2ccccc2)c1 ZINC000005907674 170153627 /nfs/dbraw/zinc/15/36/27/170153627.db2.gz QYOOHLXOECKDGX-KRWDZBQOSA-N 0 3 285.387 3.126 40 0 CGABHN CCOc1cc(CNC2CC2)cc(Cl)c1OCC ZINC000008253869 170327624 /nfs/dbraw/zinc/32/76/24/170327624.db2.gz TXAHUFSHQXBAFT-UHFFFAOYSA-N 0 3 269.772 3.389 40 0 CGABHN CCOc1c(CNCCc2ccccc2)cccc1OC ZINC000022074367 171352094 /nfs/dbraw/zinc/35/20/94/171352094.db2.gz MYGAVPJZUSEYAG-UHFFFAOYSA-N 0 3 285.387 3.426 40 0 CGABHN COc1ccccc1Cc1cccc([C@@H]2CCCN(C)C2)n1 ZINC000072348582 176373757 /nfs/dbraw/zinc/37/37/57/176373757.db2.gz UOHOXRMVAHSSJA-MRXNPFEDSA-N 0 3 296.414 3.490 40 0 CGABHN CO[C@H]1COC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096106536 277344914 /nfs/dbraw/zinc/34/49/14/277344914.db2.gz LNFSWANUIKUKNX-OAHLLOKOSA-N 0 3 295.810 3.110 40 0 CGABHN CC1=C[C@@H](C)[C@@H]([C@@H]2OC[C@H](CN3CCCC3)O2)[C@H](C)C1 ZINC000102677230 278505576 /nfs/dbraw/zinc/50/55/76/278505576.db2.gz FTLAMGAOAHIHBM-NQNKBUKLSA-N 0 3 279.424 3.062 40 0 CGABHN NC1=NN(c2ccccc2)[C@@H](c2ccc(F)cc2)C1 ZINC000222548199 295210118 /nfs/dbraw/zinc/21/01/18/295210118.db2.gz MFYRORUJXAGOHB-CQSZACIVSA-N 0 3 255.296 3.049 40 0 CGABHN NC[C@@H](c1cccc(Cl)c1Cl)N1CCCC1 ZINC000019511688 303393975 /nfs/dbraw/zinc/39/39/75/303393975.db2.gz PWQNYCVVZIVXLA-NSHDSACASA-N 0 3 259.180 3.089 40 0 CGABHN Cc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1 ZINC000095534169 185006973 /nfs/dbraw/zinc/00/69/73/185006973.db2.gz UIURUPKANJLEOX-HNNXBMFYSA-N 0 3 278.359 3.137 40 0 CGABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 ZINC000096058416 185078749 /nfs/dbraw/zinc/07/87/49/185078749.db2.gz IHFWJQMJMIROBC-RBUKOAKNSA-N 0 3 296.414 3.127 40 0 CGABHN CCO[C@H]1CO[C@]2(C1)CCCN(Cc1sccc1C)C2 ZINC000096107227 185099725 /nfs/dbraw/zinc/09/97/25/185099725.db2.gz MZJOSEJWTYLKKA-ZBFHGGJFSA-N 0 3 295.448 3.217 40 0 CGABHN CC(C)Oc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 ZINC000127955191 187343564 /nfs/dbraw/zinc/34/35/64/187343564.db2.gz GJMYPHGIPZDABU-CJNGLKHVSA-N 0 3 263.381 3.303 40 0 CGABHN NC[C@@H](c1ccc(Cl)cc1Cl)N1CCCCC1 ZINC000038827627 283454869 /nfs/dbraw/zinc/45/48/69/283454869.db2.gz BDHOAZLEYNPWKF-ZDUSSCGKSA-N 0 3 273.207 3.479 40 0 CGABHN CN(C)CCSc1sc(N)nc1-c1ccccc1 ZINC000001568258 368419815 /nfs/dbraw/zinc/41/98/15/368419815.db2.gz CVEBRSJAOIWMTA-UHFFFAOYSA-N 0 3 279.434 3.046 40 0 CGABHN Cc1ccsc1CN(Cc1ccccc1)C[C@@H](C)O ZINC000013991351 368673197 /nfs/dbraw/zinc/67/31/97/368673197.db2.gz XFLLYAHCFUKFJH-CQSZACIVSA-N 0 3 275.417 3.440 40 0 CGABHN Clc1ccc([C@H]2NCCNCc3ccccc32)cc1 ZINC000019368904 368750359 /nfs/dbraw/zinc/75/03/59/368750359.db2.gz BIRFBGKBJMZZJI-MRXNPFEDSA-N 0 3 272.779 3.122 40 0 CGABHN CN(C)CC(Oc1ccccc1)Oc1ccccc1 ZINC000038605999 369147236 /nfs/dbraw/zinc/14/72/36/369147236.db2.gz QNMGHBMGNRQPNL-UHFFFAOYSA-N 0 3 257.333 3.032 40 0 in-man CGABHN CN1CCC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000072793312 369837953 /nfs/dbraw/zinc/83/79/53/369837953.db2.gz CDYVBIBBAFSZAZ-VIFPVBQESA-N 0 3 287.190 3.274 40 0 CGABHN Cc1cc(Cl)ccc1NC(=O)CC1CCN(C)CC1 ZINC000074921008 369891762 /nfs/dbraw/zinc/89/17/62/369891762.db2.gz JGMVINSWIZWHRJ-UHFFFAOYSA-N 0 3 280.799 3.319 40 0 CGABHN CO[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1 ZINC000096261244 370209344 /nfs/dbraw/zinc/20/93/44/370209344.db2.gz GSDHSKMHFDOCJZ-DLBZAZTESA-N 0 3 271.360 3.112 40 0 CGABHN CC(C)C[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000174551419 373336261 /nfs/dbraw/zinc/33/62/61/373336261.db2.gz ATNWFYXUIXNNKD-KRWDZBQOSA-N 0 3 288.435 3.232 40 0 CGABHN CCc1nc(C)c(CN2CCC[C@@H](Cc3cccnc3)C2)[nH]1 ZINC000257235122 190017204 /nfs/dbraw/zinc/01/72/04/190017204.db2.gz GWODMVLEMCRDRM-INIZCTEOSA-N 0 3 298.434 3.130 40 0 CGABHN Cc1cc(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n[nH]1 ZINC000257296703 190028279 /nfs/dbraw/zinc/02/82/79/190028279.db2.gz REAJWFCMTGZJOH-CQSZACIVSA-N 0 3 299.422 3.071 40 0 CGABHN COCCNCc1cc(C)n(Cc2cccc(C)c2)c1C ZINC000223663034 376258327 /nfs/dbraw/zinc/25/83/27/376258327.db2.gz WAMWMVTULUTXFN-UHFFFAOYSA-N 0 3 286.419 3.198 40 0 CGABHN CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1 ZINC000072214510 392198765 /nfs/dbraw/zinc/19/87/65/392198765.db2.gz ZXMMYQUKBRXGTN-ZDUSSCGKSA-N 0 3 291.395 3.268 40 0 CGABHN CCCN1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215984 392200544 /nfs/dbraw/zinc/20/05/44/392200544.db2.gz LESZSLZMNLHQAK-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1 ZINC000095534171 392243979 /nfs/dbraw/zinc/24/39/79/392243979.db2.gz IITWSZRHHGHJRT-OAHLLOKOSA-N 0 3 278.359 3.137 40 0 CGABHN CN(C)Cc1c2ccccc2[nH]c1C(=O)Nc1ccccc1 ZINC000005342283 170087948 /nfs/dbraw/zinc/08/79/48/170087948.db2.gz XXNHZPUOMCTBJS-UHFFFAOYSA-N 0 3 293.370 3.482 40 0 CGABHN CCN(CC)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000006382473 170196964 /nfs/dbraw/zinc/19/69/64/170196964.db2.gz SUEYIXUWXJMMPP-GFCCVEGCSA-N 0 3 262.180 3.369 40 0 CGABHN C[C@@H]1CN=C(COc2ccccc2Cc2ccccc2)N1 ZINC000006488533 170205565 /nfs/dbraw/zinc/20/55/65/170205565.db2.gz KUCRAFYSUFMDKE-CQSZACIVSA-N 0 3 280.371 3.046 40 0 CGABHN CNCc1ccccc1[C@@H](O)c1ccc(Cl)cc1 ZINC000001692728 277288272 /nfs/dbraw/zinc/28/82/72/277288272.db2.gz GMQRLEHODLAXAW-HNNXBMFYSA-N 0 3 261.752 3.141 40 0 in-man CGABHN c1ccc(CN(Cc2ccccn2)C[C@@H]2CCOC2)cc1 ZINC000072398435 526467696 /nfs/dbraw/zinc/46/76/96/526467696.db2.gz WPFLSAYKHQXLTG-KRWDZBQOSA-N 0 3 282.387 3.120 40 0 CGABHN CCn1cc(Cc2ccc(C(F)(F)F)cc2)nc1N ZINC000199550291 567906311 /nfs/dbraw/zinc/90/63/11/567906311.db2.gz QCLZUYBBKAQGLD-UHFFFAOYSA-N 0 3 269.270 3.095 40 0 CGABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccsc1)CC2 ZINC000096047493 185072448 /nfs/dbraw/zinc/07/24/48/185072448.db2.gz HHVWFDKPJWHANS-INIZCTEOSA-N 0 3 292.448 3.115 40 0 CGABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1cccs1)C2 ZINC000096056793 185078097 /nfs/dbraw/zinc/07/80/97/185078097.db2.gz NLEXSHPMPYXTBJ-HOTGVXAUSA-N 0 3 295.448 3.156 40 0 CGABHN CN(C)[C@H]1Cc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001568911 368419352 /nfs/dbraw/zinc/41/93/52/368419352.db2.gz XHYXVRAZPBSVMR-IRXDYDNUSA-N 0 3 281.355 3.071 40 0 CGABHN C[C@H]1[C@@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004011407 368526261 /nfs/dbraw/zinc/52/62/61/368526261.db2.gz RUYRAUWKVSWJFK-NBMRYCAZSA-N 0 3 267.372 3.459 40 0 CGABHN CCN(CC)C1=NC[C@H](Cc2cccc(C)c2)S1 ZINC000036639828 369023801 /nfs/dbraw/zinc/02/38/01/369023801.db2.gz QAOXYOYXVYSKMX-AWEZNQCLSA-N 0 3 262.422 3.351 40 0 CGABHN CCSc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000081270780 369994305 /nfs/dbraw/zinc/99/43/05/369994305.db2.gz SIBSESMOQBCHKZ-UHFFFAOYSA-N 0 3 278.421 3.079 40 0 CGABHN CCc1ncnc2c1CCN(Cc1ccc(C)s1)CC2 ZINC000096255016 370209539 /nfs/dbraw/zinc/20/95/39/370209539.db2.gz MJHVPIRJCVOJKM-UHFFFAOYSA-N 0 3 287.432 3.010 40 0 CGABHN Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2)n1 ZINC000257197637 190010237 /nfs/dbraw/zinc/01/02/37/190010237.db2.gz FJTRFZYKQUJGPF-CYBMUJFWSA-N 0 3 288.782 3.194 40 0 CGABHN Cc1c[nH]c([C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000257337145 190036683 /nfs/dbraw/zinc/03/66/83/190036683.db2.gz YROUITNGNHPCEV-GFCCVEGCSA-N 0 3 261.394 3.159 40 0 CGABHN COCCN[C@H](C)c1ccccc1OCC(C)C ZINC000225160937 376297103 /nfs/dbraw/zinc/29/71/03/376297103.db2.gz KCEICJWQRZIDNQ-CYBMUJFWSA-N 0 3 251.370 3.018 40 0 CGABHN CNCc1cnc(SCc2ccccc2)cc1C ZINC000072223461 256705802 /nfs/dbraw/zinc/70/58/02/256705802.db2.gz HHVPYUOWUROUBS-UHFFFAOYSA-N 0 3 258.390 3.402 40 0 CGABHN CC(C)N1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215981 392198570 /nfs/dbraw/zinc/19/85/70/392198570.db2.gz BHOPRJPFQJPFAT-OAHLLOKOSA-N 0 3 259.397 3.227 40 0 CGABHN CCCN1CCCC[C@H]1c1cccnc1N(C)CC ZINC000072212795 392198910 /nfs/dbraw/zinc/19/89/10/392198910.db2.gz VQSIJSOKQLBJHM-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN N[C@H](c1ccccc1)c1ccc(N2CCCCC2)nc1 ZINC000072225458 392204812 /nfs/dbraw/zinc/20/48/12/392204812.db2.gz HRTMHBLZKHZOPM-QGZVFWFLSA-N 0 3 267.376 3.120 40 0 CGABHN CC(C)[C@H](N)C(=O)N([C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000079418702 392220462 /nfs/dbraw/zinc/22/04/62/392220462.db2.gz JCBJRGNWFQYXDM-NHYWBVRUSA-N 0 3 294.826 3.375 40 0 CGABHN CC(C)=CCN1CCC[C@@H](n2c(=O)oc3ccccc32)C1 ZINC000012219409 397604276 /nfs/dbraw/zinc/60/42/76/397604276.db2.gz SKDLJRYCCFRNBX-CQSZACIVSA-N 0 3 286.375 3.198 40 0 CGABHN COc1cc(C=O)ccc1OCCCN1CCC(C)CC1 ZINC000008731567 170351290 /nfs/dbraw/zinc/35/12/90/170351290.db2.gz WVHZEBGTYJEJTE-UHFFFAOYSA-N 0 3 291.391 3.009 40 0 CGABHN CN1CCC[C@@H](c2ccnc(Nc3ccccn3)c2)C1 ZINC000072364720 176379720 /nfs/dbraw/zinc/37/97/20/176379720.db2.gz HOHMQSMIZHSTHM-CQSZACIVSA-N 0 3 268.364 3.029 40 0 CGABHN Cc1cncc([C@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000072369407 176384254 /nfs/dbraw/zinc/38/42/54/176384254.db2.gz FTVVUQPQVGUCMQ-AWEZNQCLSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1ccccc1-c1cnc([C@@H]2CCCN(C)C2)cn1 ZINC000072382914 176388044 /nfs/dbraw/zinc/38/80/44/176388044.db2.gz OZLRUAYUIVFFMW-CQSZACIVSA-N 0 3 267.376 3.261 40 0 CGABHN CC(C)CN1CCC[C@H]1c1nc(-c2ccc(F)cn2)no1 ZINC000049155383 416467803 /nfs/dbraw/zinc/46/78/03/416467803.db2.gz WJLBONKWRDIUTC-ZDUSSCGKSA-N 0 3 290.342 3.064 40 0 biogenic,in-vitro CGABHN CC1=C[C@@H](C)[C@@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 ZINC000101786876 276184246 /nfs/dbraw/zinc/18/42/46/276184246.db2.gz RJXDBTDFBZRPHG-UYTYNIKBSA-N 0 3 293.451 3.452 40 0 CGABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 ZINC000096058412 185079406 /nfs/dbraw/zinc/07/94/06/185079406.db2.gz ACSZNQVPNYRNTG-RBUKOAKNSA-N 0 3 296.414 3.127 40 0 CGABHN CN(C)Cc1ccnc([C@@H]2CCCN2C2CCCCC2)n1 ZINC000257309808 282149993 /nfs/dbraw/zinc/14/99/93/282149993.db2.gz UCLOZOKLYSWYAY-INIZCTEOSA-N 0 3 288.439 3.008 40 0 CGABHN Cc1nc(NC2CC2)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000329013544 136377271 /nfs/dbraw/zinc/37/72/71/136377271.db2.gz MQKSPQZMLNFRKG-GFCCVEGCSA-N 0 3 294.402 3.311 40 0 CGABHN CCCCn1c(N)ncc1-c1ccc(OCC)cc1 ZINC000004679422 368556058 /nfs/dbraw/zinc/55/60/58/368556058.db2.gz DJVFONKJWCJZJJ-UHFFFAOYSA-N 0 3 259.353 3.331 40 0 CGABHN CC[C@H](C)[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000019881865 368775150 /nfs/dbraw/zinc/77/51/50/368775150.db2.gz ARIWKJUTOKFGKU-QMMMGPOBSA-N 0 3 288.185 3.051 40 0 CGABHN CN(C)CCN(Cc1cccs1)Cc1ccccc1F ZINC000023247836 368818087 /nfs/dbraw/zinc/81/80/87/368818087.db2.gz UXQWUVGQTDRHNX-UHFFFAOYSA-N 0 3 292.423 3.451 40 0 CGABHN Cc1cccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c1C ZINC000026780519 368863691 /nfs/dbraw/zinc/86/36/91/368863691.db2.gz ZDVNGNUZRJZLAN-SJLPKXTDSA-N 0 3 299.414 3.394 40 0 CGABHN c1ccc(CN2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000026898122 368866949 /nfs/dbraw/zinc/86/69/49/368866949.db2.gz HMGDLYUTYLPXDR-KRWDZBQOSA-N 0 3 253.345 3.340 40 0 CGABHN OC[C@H](c1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000070453072 369799726 /nfs/dbraw/zinc/79/97/26/369799726.db2.gz YDKXUUMQZUDEPO-CYBMUJFWSA-N 0 3 273.298 3.225 40 0 CGABHN Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCCN2C)n1 ZINC000257291624 190027989 /nfs/dbraw/zinc/02/79/89/190027989.db2.gz QHXCLEGMLNFYJN-MRXNPFEDSA-N 0 3 299.422 3.386 40 0 CGABHN COCCCN[C@H](C)c1ccccc1OC(C)C ZINC000225161314 376296484 /nfs/dbraw/zinc/29/64/84/376296484.db2.gz YZPFOWBHFKOCSL-CYBMUJFWSA-N 0 3 251.370 3.161 40 0 CGABHN Cc1cc([C@H](C)NC2CCN(Cc3ccccc3)CC2)no1 ZINC000282874401 380005163 /nfs/dbraw/zinc/00/51/63/380005163.db2.gz VJPPWEPSARJEBZ-HNNXBMFYSA-N 0 3 299.418 3.298 40 0 CGABHN CCN(C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072212736 392198842 /nfs/dbraw/zinc/19/88/42/392198842.db2.gz UEAFOKQDTMUAPA-HNNXBMFYSA-N 0 3 261.413 3.473 40 0 CGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1NC1CC1 ZINC000072222777 392201815 /nfs/dbraw/zinc/20/18/15/392201815.db2.gz ZTGFDIXQJFEDRE-HNNXBMFYSA-N 0 3 253.349 3.012 40 0 CGABHN CNCc1cnc(SCc2ccccc2)c(C)c1 ZINC000072222422 392201974 /nfs/dbraw/zinc/20/19/74/392201974.db2.gz ZWOIPUDZBKOPAE-UHFFFAOYSA-N 0 3 258.390 3.402 40 0 CGABHN Cc1nc(N2CCCC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224528 392204271 /nfs/dbraw/zinc/20/42/71/392204271.db2.gz DBDUYVHONBSTTL-KRWDZBQOSA-N 0 3 267.376 3.038 40 0 CGABHN CC(C)N1CCc2nc(Cl)c(Br)cc2C1 ZINC000096510618 392257919 /nfs/dbraw/zinc/25/79/19/392257919.db2.gz ZQXPFWLUTUEINC-UHFFFAOYSA-N 0 3 289.604 3.264 40 0 CGABHN CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1 ZINC000072208964 397640258 /nfs/dbraw/zinc/64/02/58/397640258.db2.gz JIMJVFSLVVNKKW-ZIAGYGMSSA-N 0 3 278.396 3.236 40 0 CGABHN C[C@@H](NCCC(=O)OCc1ccccc1)c1ccccc1 ZINC000005920632 170155575 /nfs/dbraw/zinc/15/55/75/170155575.db2.gz HHRYGVBUJSCNED-OAHLLOKOSA-N 0 3 283.371 3.471 40 0 CGABHN CCOc1c(Cl)cc(Cl)cc1CN[C@H](CC)CO ZINC000008327050 170331304 /nfs/dbraw/zinc/33/13/04/170331304.db2.gz UTDIICDUBHHJJG-LLVKDONJSA-N 0 3 292.206 3.253 40 0 CGABHN COc1cc(C=O)ccc1OCCCN1CCCC[C@@H]1C ZINC000008731554 170351256 /nfs/dbraw/zinc/35/12/56/170351256.db2.gz YDSXYOFZQQVXGL-AWEZNQCLSA-N 0 3 291.391 3.151 40 0 CGABHN Cc1ccccc1-c1cnc([C@H]2CCCN(C)C2)cn1 ZINC000072382915 176387959 /nfs/dbraw/zinc/38/79/59/176387959.db2.gz OZLRUAYUIVFFMW-AWEZNQCLSA-N 0 3 267.376 3.261 40 0 CGABHN CCOC(=O)c1cccc(CNCc2ccccc2)c1 ZINC000685937077 544109454 /nfs/dbraw/zinc/10/94/54/544109454.db2.gz ITBXPYCBFJILGK-UHFFFAOYSA-N 0 3 269.344 3.153 40 0 CGABHN c1ccc(C(c2ccccc2)N2CC3(COC3)C2)cc1 ZINC000095937735 185034436 /nfs/dbraw/zinc/03/44/36/185034436.db2.gz UELLYEOACSTMMS-UHFFFAOYSA-N 0 3 265.356 3.108 40 0 CGABHN c1cncc(CN2CCC(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012113977 368603665 /nfs/dbraw/zinc/60/36/65/368603665.db2.gz OTBIPZAHXKSNSO-UHFFFAOYSA-N 0 3 296.370 3.190 40 0 CGABHN CCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000035818593 369005782 /nfs/dbraw/zinc/00/57/82/369005782.db2.gz OSHMMUJQQMJSEO-UHFFFAOYSA-N 0 3 274.408 3.058 40 0 CGABHN CC(C)Cn1c2ccc(Cl)cc2nc1[C@H](C)N ZINC000040417748 369154766 /nfs/dbraw/zinc/15/47/66/369154766.db2.gz OHLRKBZXMIOCEH-VIFPVBQESA-N 0 3 251.761 3.365 40 0 CGABHN Cc1nnc([C@H]2CCN(Cc3ccccc3Cl)C2)o1 ZINC000049169171 369391276 /nfs/dbraw/zinc/39/12/76/369391276.db2.gz BHMRXFAEWZSYRV-LBPRGKRZSA-N 0 3 277.755 3.021 40 0 biogenic,in-vitro CGABHN CC(C)Cc1cc(CC2(NC3CCCCC3)COC2)no1 ZINC000067898212 369735080 /nfs/dbraw/zinc/73/50/80/369735080.db2.gz YDRHHNUNOQSQKH-UHFFFAOYSA-N 0 3 292.423 3.107 40 0 biogenic,in-vitro CGABHN CN(C)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000071711603 369808265 /nfs/dbraw/zinc/80/82/65/369808265.db2.gz MNZZYCKLGBUZEF-UHFFFAOYSA-N 0 3 295.430 3.075 40 0 CGABHN C[C@](CO)(c1ccccc1Cl)N1CCCCC1 ZINC000070453429 369799385 /nfs/dbraw/zinc/79/93/85/369799385.db2.gz QYPPYSKWZCMIKW-AWEZNQCLSA-N 0 3 253.773 3.033 40 0 CGABHN CCc1ccc2oc(C3=CCN(CC)CC3)nc2c1 ZINC000073635989 369863302 /nfs/dbraw/zinc/86/33/02/369863302.db2.gz PDAQQNVSODUZRE-UHFFFAOYSA-N 0 3 256.349 3.499 40 0 CGABHN CN(C)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1 ZINC000079380073 369967641 /nfs/dbraw/zinc/96/76/41/369967641.db2.gz HGLRXRHZIRLLCG-UHFFFAOYSA-N 0 3 290.407 3.146 40 0 CGABHN Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)s1 ZINC000257216191 190014092 /nfs/dbraw/zinc/01/40/92/190014092.db2.gz CTNGCQUTTKCLQC-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN CC(C)c1nccn1-c1ccnc([C@H]2CCCN(C)C2)c1 ZINC000257293098 190028824 /nfs/dbraw/zinc/02/88/24/190028824.db2.gz QOCNTJMKSXSVGV-AWEZNQCLSA-N 0 3 284.407 3.200 40 0 CGABHN CC[C@H](C)Oc1cccc([C@H](C)NCCOC)c1 ZINC000225166539 376297472 /nfs/dbraw/zinc/29/74/72/376297472.db2.gz WGJOCJASYBSMEE-STQMWFEESA-N 0 3 251.370 3.161 40 0 CGABHN c1ccc(COc2ncccc2[C@H]2CCCCN2)cc1 ZINC000072212092 392197019 /nfs/dbraw/zinc/19/70/19/392197019.db2.gz MJAWBLCXSLNBRA-MRXNPFEDSA-N 0 3 268.360 3.475 40 0 CGABHN CCN(CC)c1ccc([C@H]2CCCCN2CC)cn1 ZINC000072212852 392198614 /nfs/dbraw/zinc/19/86/14/392198614.db2.gz TYAKUJPPVOVIMR-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN Cc1cc([C@H](N)c2ccccc2)cnc1NC(C)C ZINC000072221974 392201782 /nfs/dbraw/zinc/20/17/82/392201782.db2.gz ZMMVBXABBUJKCM-OAHLLOKOSA-N 0 3 255.365 3.258 40 0 CGABHN FC(F)(F)CCOc1cccc(CNC2CC2)c1 ZINC000080936614 260182112 /nfs/dbraw/zinc/18/21/12/260182112.db2.gz SUHRPZMWMUXIBE-UHFFFAOYSA-N 0 3 259.271 3.270 40 0 CGABHN CCN(CC)Cc1c(C)[nH]c2cc(N(C)C)ccc2c1=O ZINC000001557014 279136359 /nfs/dbraw/zinc/13/63/59/279136359.db2.gz DRPCABFPZUBDBR-UHFFFAOYSA-N 0 3 287.407 3.157 40 0 CGABHN Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1C ZINC000072219265 293293881 /nfs/dbraw/zinc/29/38/81/293293881.db2.gz CAFCKPSWNPUCGJ-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN C[C@@H]1Cc2cc(C(=O)CCN3CCCCC3)ccc2O1 ZINC000005356040 534057720 /nfs/dbraw/zinc/05/77/20/534057720.db2.gz QPGYWRMEPJZZQJ-CYBMUJFWSA-N 0 3 273.376 3.069 40 0 CGABHN Cc1ccc(-c2nc([C@@H](N)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534027 185007504 /nfs/dbraw/zinc/00/75/04/185007504.db2.gz QKPXKNIWLGWKPT-AWEZNQCLSA-N 0 3 298.777 3.482 40 0 CGABHN Cc1cc(CN2C[C@@H]3CC(F)(F)C[C@@H]3C2)oc1C ZINC000096054654 185076704 /nfs/dbraw/zinc/07/67/04/185076704.db2.gz SUYUECBXHZHMPR-TXEJJXNPSA-N 0 3 255.308 3.374 40 0 CGABHN CCNCc1scc(Br)c1Br ZINC000085390812 179047754 /nfs/dbraw/zinc/04/77/54/179047754.db2.gz KOZOVENITCGVPE-UHFFFAOYSA-N 0 3 299.031 3.383 40 0 CGABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccco1)CC2 ZINC000585103981 346724436 /nfs/dbraw/zinc/72/44/36/346724436.db2.gz FFTXJQNJKRQZTM-OAHLLOKOSA-N 0 3 293.407 3.077 40 0 CGABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008300165 368573203 /nfs/dbraw/zinc/57/32/03/368573203.db2.gz ADXOZPYVFZJVMP-OFQRWUPVSA-N 0 3 288.391 3.356 40 0 biogenic,in-vitro CGABHN OCCN(Cc1cccs1)Cc1cccc2cccnc21 ZINC000013997448 368673231 /nfs/dbraw/zinc/67/32/31/368673231.db2.gz YYVFNGALXIFNAA-UHFFFAOYSA-N 0 3 298.411 3.291 40 0 CGABHN c1csc([C@H](Cc2ccsc2)NC[C@@H]2CCOC2)n1 ZINC000019406501 368752139 /nfs/dbraw/zinc/75/21/39/368752139.db2.gz DIWKJUZOBCAGTH-STQMWFEESA-N 0 3 294.445 3.115 40 0 CGABHN CCCCOc1ccc(CNC[C@H]2CCCO2)cc1OC ZINC000032156538 368927517 /nfs/dbraw/zinc/92/75/17/368927517.db2.gz AKPAROGTHVBDTB-OAHLLOKOSA-N 0 3 293.407 3.143 40 0 CGABHN FC(F)(F)c1ccc(-c2nc3c(s2)CNCC3)cc1 ZINC000053335861 369482172 /nfs/dbraw/zinc/48/21/72/369482172.db2.gz CUMDDCQWRWZHOD-UHFFFAOYSA-N 0 3 284.306 3.475 40 0 CGABHN CCCCOc1ccc(CNCCOC)cc1OCC ZINC000057901173 369550454 /nfs/dbraw/zinc/55/04/54/369550454.db2.gz QUPSQIXLXOGVHB-UHFFFAOYSA-N 0 3 281.396 3.000 40 0 CGABHN Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1Cl ZINC000074921009 369891485 /nfs/dbraw/zinc/89/14/85/369891485.db2.gz YFNFEQSGTYZPNW-UHFFFAOYSA-N 0 3 280.799 3.319 40 0 CGABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc(C)cc1)CC2 ZINC000096158724 370205488 /nfs/dbraw/zinc/20/54/88/370205488.db2.gz POKISBQDFBNNJB-KRWDZBQOSA-N 0 3 289.419 3.155 40 0 CGABHN CC(C)COC1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096159305 370206108 /nfs/dbraw/zinc/20/61/08/370206108.db2.gz LFBDUOPRZWFPBN-UHFFFAOYSA-N 0 3 288.435 3.499 40 0 CGABHN Cc1cc(N2CCN(CC3CC3)CC2)c2cc(F)ccc2n1 ZINC000301677309 373797701 /nfs/dbraw/zinc/79/77/01/373797701.db2.gz QLFGFKZKTIJDRL-UHFFFAOYSA-N 0 3 299.393 3.214 40 0 CGABHN CN1CC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257222078 190014624 /nfs/dbraw/zinc/01/46/24/190014624.db2.gz DRURTBDKGZKWOJ-LBPRGKRZSA-N 0 3 276.767 3.338 40 0 CGABHN CN1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000334270677 206287229 /nfs/dbraw/zinc/28/72/29/206287229.db2.gz STSLSMOJBBRHHI-JTQLQIEISA-N 0 3 297.280 3.175 40 0 CGABHN Cc1cn(C)c([C@@H]2CCCN(Cc3cccs3)C2)n1 ZINC000257328694 190034515 /nfs/dbraw/zinc/03/45/15/190034515.db2.gz XGSQBABSSZEUOF-CYBMUJFWSA-N 0 3 275.421 3.170 40 0 CGABHN CCCCOc1cccc([C@@H](C)NCCOC)c1 ZINC000225166163 376297547 /nfs/dbraw/zinc/29/75/47/376297547.db2.gz SBNSYPLDFJTRSM-CYBMUJFWSA-N 0 3 251.370 3.163 40 0 CGABHN CCN(CC)c1ncc([C@@H](N)c2ccccc2)cc1C ZINC000072222233 392201465 /nfs/dbraw/zinc/20/14/65/392201465.db2.gz OLIWDYGGFQRUSF-INIZCTEOSA-N 0 3 269.392 3.284 40 0 CGABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OC ZINC000008253681 170327434 /nfs/dbraw/zinc/32/74/34/170327434.db2.gz GYRMGVWBSOMKOU-LBPRGKRZSA-N 0 3 299.798 3.016 40 0 CGABHN CCOc1c(Cl)cc(Cl)cc1CNCCN(C)C ZINC000022074928 171352159 /nfs/dbraw/zinc/35/21/59/171352159.db2.gz SVODFKKTVANHKF-UHFFFAOYSA-N 0 3 291.222 3.043 40 0 CGABHN c1cn(CCNC(c2ccccc2)c2ccccc2)cn1 ZINC000022115176 171352816 /nfs/dbraw/zinc/35/28/16/171352816.db2.gz ZDLDHDBQYBBTEJ-UHFFFAOYSA-N 0 3 277.371 3.262 40 0 CGABHN NC[C@@H](c1cccc(Cl)c1Cl)N1CCCCC1 ZINC000039034762 174161625 /nfs/dbraw/zinc/16/16/25/174161625.db2.gz HBJAYMKRBXGOEG-LBPRGKRZSA-N 0 3 273.207 3.479 40 0 CGABHN CN1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072348565 176373526 /nfs/dbraw/zinc/37/35/26/176373526.db2.gz QIZJPZGVFLHBSM-UHFFFAOYSA-N 0 3 266.388 3.482 40 0 CGABHN c1[nH]c2ccccc2c1CN1CCC[C@@H](c2cnccn2)C1 ZINC000072369379 176384105 /nfs/dbraw/zinc/38/41/05/176384105.db2.gz UENOFHWEAKCOTM-CQSZACIVSA-N 0 3 292.386 3.338 40 0 CGABHN CC[C@@H]1CNCc2cc3cc(C)cc(C)c3nc2O1 ZINC000019500975 276507453 /nfs/dbraw/zinc/50/74/53/276507453.db2.gz MVNGWVPNWIFKEI-CQSZACIVSA-N 0 3 256.349 3.112 40 0 CGABHN CC(C)c1cccc2cc3c(nc21)O[C@H](C)CNC3 ZINC000072392279 278058363 /nfs/dbraw/zinc/05/83/63/278058363.db2.gz PYZPRPQNPQJWPP-LLVKDONJSA-N 0 3 256.349 3.229 40 0 CGABHN CC(C)n1nccc1-c1nccnc1[C@H]1CCCN1C(C)C ZINC000257207651 278149882 /nfs/dbraw/zinc/14/98/82/278149882.db2.gz BIQBVCJYFUWIEV-CQSZACIVSA-N 0 3 299.422 3.466 40 0 CGABHN CC(C)[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047896 185073076 /nfs/dbraw/zinc/07/30/76/185073076.db2.gz XQOPGEDYKLARAF-CQSZACIVSA-N 0 3 263.381 3.307 40 0 CGABHN CO[C@@H]1COC2(C1)CCN(Cc1ccccc1Cl)CC2 ZINC000096106539 185099014 /nfs/dbraw/zinc/09/90/14/185099014.db2.gz WCLUFQVXELRNQE-AWEZNQCLSA-N 0 3 295.810 3.110 40 0 CGABHN CC(C)Oc1ccccc1[C@H](C)NC[C@@H]1CCCO1 ZINC000128157388 187354776 /nfs/dbraw/zinc/35/47/76/187354776.db2.gz JCSFYSCQPWVAPP-KBPBESRZSA-N 0 3 263.381 3.303 40 0 CGABHN CN1CCC[C@H](NC(c2ccccc2)c2ccccc2)C1 ZINC000019366066 368749364 /nfs/dbraw/zinc/74/93/64/368749364.db2.gz AFLDZXAGUXBOJE-SFHVURJKSA-N 0 3 280.415 3.460 40 0 CGABHN CCN1CCC[C@H]1CN(Cc1ccoc1)Cc1ccncc1 ZINC000022913926 368814481 /nfs/dbraw/zinc/81/44/81/368814481.db2.gz RFIBVJAMPOYDAI-SFHVURJKSA-N 0 3 299.418 3.161 40 0 CGABHN CC(C)Oc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963781 368792089 /nfs/dbraw/zinc/79/20/89/368792089.db2.gz WWLXASZDMMYFBT-XJKSGUPXSA-N 0 3 263.381 3.303 40 0 CGABHN CC[C@@H](C)Oc1ccc(CNC[C@@H]2CCCO2)cc1OC ZINC000066115666 369688484 /nfs/dbraw/zinc/68/84/84/369688484.db2.gz DMZRMQMRLZZUJU-HIFRSBDPSA-N 0 3 293.407 3.141 40 0 CGABHN Cc1cccc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000067801148 369730595 /nfs/dbraw/zinc/73/05/95/369730595.db2.gz LTVAXKIZYRUIFE-HNNXBMFYSA-N 0 3 290.407 3.094 40 0 CGABHN Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N(C)C ZINC000072218640 369815824 /nfs/dbraw/zinc/81/58/24/369815824.db2.gz WYHKEXVPBHEUJL-HNNXBMFYSA-N 0 3 261.413 3.391 40 0 CGABHN CC(C)OCCCNCc1cc(C2CC2)nn1C(C)C ZINC000256053813 190005121 /nfs/dbraw/zinc/00/51/21/190005121.db2.gz SZLGQMBJRITXFQ-UHFFFAOYSA-N 0 3 279.428 3.246 40 0 CGABHN CC(C)n1nccc1CN1CCC[C@@H](Cc2ccccn2)C1 ZINC000257237412 190018022 /nfs/dbraw/zinc/01/80/22/190018022.db2.gz HGITYINOHXVACX-INIZCTEOSA-N 0 3 298.434 3.314 40 0 CGABHN Cc1nccc([C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000257264011 190022469 /nfs/dbraw/zinc/02/24/69/190022469.db2.gz LSLMMKUJHAOENL-MRXNPFEDSA-N 0 3 267.376 3.165 40 0 CGABHN CN1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000334270678 206286712 /nfs/dbraw/zinc/28/67/12/206286712.db2.gz STSLSMOJBBRHHI-SNVBAGLBSA-N 0 3 297.280 3.175 40 0 CGABHN COCCN[C@@H](C)c1ccccc1OCC(C)C ZINC000225160895 376296567 /nfs/dbraw/zinc/29/65/67/376296567.db2.gz KCEICJWQRZIDNQ-ZDUSSCGKSA-N 0 3 251.370 3.018 40 0 CGABHN CC[C@@H](C)Oc1ccc([C@@H](C)NCCOC)cc1 ZINC000225169683 376297536 /nfs/dbraw/zinc/29/75/36/376297536.db2.gz PEMSCOJQOXXGFM-CHWSQXEVSA-N 0 3 251.370 3.161 40 0 CGABHN CC[C@@H](C)Oc1ccccc1[C@H](C)NCCOC ZINC000225161074 376297615 /nfs/dbraw/zinc/29/76/15/376297615.db2.gz CTFSDGXSKPYMPS-OLZOCXBDSA-N 0 3 251.370 3.161 40 0 CGABHN Cc1cc(N2CCNCC2)c2ccc(Cl)c(Cl)c2n1 ZINC000068136525 392163172 /nfs/dbraw/zinc/16/31/72/392163172.db2.gz XVYMLQDVNZSALM-UHFFFAOYSA-N 0 3 296.201 3.260 40 0 CGABHN CC(C)N(c1ncccc1[C@H]1CCCN1C)C(C)C ZINC000072213002 392199002 /nfs/dbraw/zinc/19/90/02/392199002.db2.gz MSGPOCXYMABHCC-OAHLLOKOSA-N 0 3 261.413 3.472 40 0 CGABHN CCN(CC)c1ccc([C@@H](N)c2ccccc2)c(C)n1 ZINC000072224313 392202806 /nfs/dbraw/zinc/20/28/06/392202806.db2.gz LOMHFHVNLCMWDC-KRWDZBQOSA-N 0 3 269.392 3.284 40 0 CGABHN CC(C)[C@H](N)C(=O)N([C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000079418705 392220100 /nfs/dbraw/zinc/22/01/00/392220100.db2.gz JCBJRGNWFQYXDM-ABAIWWIYSA-N 0 3 294.826 3.375 40 0 CGABHN CN1CCO[C@@H](c2ccccc2)c2ccsc2CC1 ZINC000001607889 397602622 /nfs/dbraw/zinc/60/26/22/397602622.db2.gz JEJCTUDPUWAFQR-INIZCTEOSA-N 0 3 273.401 3.342 40 0 CGABHN CC[C@@H](C)[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441212 173211183 /nfs/dbraw/zinc/21/11/83/173211183.db2.gz PURFUQMZTZSMDZ-RDDDGLTNSA-N 0 3 282.185 3.371 40 0 CGABHN CC[C@@H](C)[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441212 173211185 /nfs/dbraw/zinc/21/11/85/173211185.db2.gz PURFUQMZTZSMDZ-RDDDGLTNSA-N 0 3 282.185 3.371 40 0 CGABHN Cc1ccc([C@H]2NCCc3nc4ccccc4n32)cc1 ZINC000019772813 274762061 /nfs/dbraw/zinc/76/20/61/274762061.db2.gz YAIFPHXKSMTVKA-KRWDZBQOSA-N 0 3 263.344 3.037 40 0 CGABHN COc1ccc(N2N=C(N)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000222548788 295156748 /nfs/dbraw/zinc/15/67/48/295156748.db2.gz QHRUTXSRBKFGEN-OAHLLOKOSA-N 0 3 285.322 3.058 40 0 CGABHN NC[C@@H](c1ccccc1C(F)(F)F)N1CCCCC1 ZINC000095532268 303393993 /nfs/dbraw/zinc/39/39/93/303393993.db2.gz FIAVDFDUQDGAHI-ZDUSSCGKSA-N 0 3 272.314 3.191 40 0 CGABHN C[C@@H]1CCC[C@H](C)N1CCOc1ccccc1C=O ZINC000217788947 533826378 /nfs/dbraw/zinc/82/63/78/533826378.db2.gz LLYHIUZFISPJLE-OKILXGFUSA-N 0 3 261.365 3.141 40 0 CGABHN Cc1nc(CCN[C@H](C)c2cnc(C)nc2C)sc1C ZINC000127723640 187329512 /nfs/dbraw/zinc/32/95/12/187329512.db2.gz GXYVFLUMLJYVNC-SNVBAGLBSA-N 0 3 290.436 3.060 40 0 CGABHN CO[C@@H]1CCN(Cc2ccco2)C[C@@H]1Cc1ccccc1 ZINC000096110149 185100981 /nfs/dbraw/zinc/10/09/81/185100981.db2.gz BKKRTDWFNHLACX-FUHWJXTLSA-N 0 3 285.387 3.359 40 0 CGABHN Cc1cc([C@H]2CCCCN2Cc2ccccc2)c[nH]c1=O ZINC000072217984 345406429 /nfs/dbraw/zinc/40/64/29/345406429.db2.gz XWCWQQWEYDGEQO-QGZVFWFLSA-N 0 3 282.387 3.411 40 0 CGABHN COCC[C@H]1CCOC12CCN(Cc1ccsc1)CC2 ZINC000585102765 346724769 /nfs/dbraw/zinc/72/47/69/346724769.db2.gz GYVIKEHMZLXNBC-HNNXBMFYSA-N 0 3 295.448 3.156 40 0 CGABHN O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCc1ccccc1 ZINC000585289261 346725767 /nfs/dbraw/zinc/72/57/67/346725767.db2.gz OWXNZHYZQZMIIQ-IPMKNSEASA-N 0 3 297.398 3.137 40 0 CGABHN Cc1n[nH]c(C)c1CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000352296530 219398296 /nfs/dbraw/zinc/39/82/96/219398296.db2.gz FKUQXBXCEVGEIP-MRXNPFEDSA-N 0 3 287.382 3.373 40 0 CGABHN CN(C)CCC(=O)C(c1ccccc1)c1ccccc1 ZINC000001710988 368434739 /nfs/dbraw/zinc/43/47/39/368434739.db2.gz YOODYJXXRKFIGD-UHFFFAOYSA-N 0 3 267.372 3.339 40 0 CGABHN CCCC[C@H](CC)COC[C@@H](O)CNCc1ccccc1 ZINC000026897427 368865222 /nfs/dbraw/zinc/86/52/22/368865222.db2.gz FEKQTLCLFPIWFZ-WMZOPIPTSA-N 0 3 293.451 3.370 40 0 CGABHN C[C@H](CN[C@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000047219043 369310176 /nfs/dbraw/zinc/31/01/76/369310176.db2.gz KPIIVEYPTCQGJK-CHWSQXEVSA-N 0 3 263.381 3.315 40 0 CGABHN CN1CCCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216117 369815933 /nfs/dbraw/zinc/81/59/33/369815933.db2.gz JWFXCMCTMMMFFT-HNNXBMFYSA-N 0 3 259.397 3.229 40 0 CGABHN CC(C)c1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000074920996 369890570 /nfs/dbraw/zinc/89/05/70/369890570.db2.gz ITGGJMIPIIVPMS-UHFFFAOYSA-N 0 3 274.408 3.480 40 0 CGABHN Clc1ccc(Cl)c(CNC[C@@H]2CCOC2)c1 ZINC000083697613 370008431 /nfs/dbraw/zinc/00/84/31/370008431.db2.gz NUIAZFTYFHCKHY-VIFPVBQESA-N 0 3 260.164 3.120 40 0 CGABHN Cc1cc(CC2CCN(Cc3ccccn3)CC2)ccn1 ZINC000257199752 190010971 /nfs/dbraw/zinc/01/09/71/190010971.db2.gz AAROFQYNWRTYRZ-UHFFFAOYSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1cc(CC[C@@H]2CCCN2Cc2ccccn2)ccn1 ZINC000257204189 190011305 /nfs/dbraw/zinc/01/13/05/190011305.db2.gz ATLCTGFJFXGTOW-SFHVURJKSA-N 0 3 281.403 3.382 40 0 CGABHN Cc1ccc(CN2CCC[C@H](Cc3ccccn3)C2)cn1 ZINC000257281719 190026456 /nfs/dbraw/zinc/02/64/56/190026456.db2.gz OQQIRDJEAJRSAD-MRXNPFEDSA-N 0 3 281.403 3.240 40 0 CGABHN CCN1CCC[C@@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218791 285262103 /nfs/dbraw/zinc/26/21/03/285262103.db2.gz ALAPJRHGXIUCQB-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN O[C@H]1CC[C@H](Nc2c3c(nc4ccccc42)CCC3)CC1 ZINC000103762047 285367627 /nfs/dbraw/zinc/36/76/27/285367627.db2.gz JXQGZPCZPZBOJP-BETUJISGSA-N 0 3 282.387 3.439 40 0 CGABHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](N)c1ccccc1 ZINC000071617714 392192065 /nfs/dbraw/zinc/19/20/65/392192065.db2.gz NZRSPPIHSYBLSO-UONOGXRCSA-N 0 3 276.380 3.086 40 0 CGABHN CCN(C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072212737 392198864 /nfs/dbraw/zinc/19/88/64/392198864.db2.gz UEAFOKQDTMUAPA-OAHLLOKOSA-N 0 3 261.413 3.473 40 0 CGABHN CCCN1CCC[C@H]1c1cccnc1N(CC)CC ZINC000072212898 392199132 /nfs/dbraw/zinc/19/91/32/392199132.db2.gz YQUSGMJNBUFRLP-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000095534143 392244115 /nfs/dbraw/zinc/24/41/15/392244115.db2.gz CQSJHQZEVHMITD-OAHLLOKOSA-N 0 3 278.359 3.137 40 0 CGABHN CC1CCN([C@@H](CN)c2ccccc2Br)CC1 ZINC000095532285 392244317 /nfs/dbraw/zinc/24/43/17/392244317.db2.gz MCUDZTLUMPRNFE-AWEZNQCLSA-N 0 3 297.240 3.181 40 0 CGABHN CN(C)C[C@@H]1CCc2ccc3ccccc3c2C1=O ZINC000001594857 397602674 /nfs/dbraw/zinc/60/26/74/397602674.db2.gz OTFJDUYHMWYNCA-AWEZNQCLSA-N 0 3 253.345 3.147 40 0 CGABHN CCOc1cc(CNCc2cccs2)ccc1OC ZINC000008254364 170327470 /nfs/dbraw/zinc/32/74/70/170327470.db2.gz CZVKGFBZZLTGNA-UHFFFAOYSA-N 0 3 277.389 3.445 40 0 CGABHN Cc1cc(-c2ccsc2)nc(C2CCN(C)CC2)n1 ZINC000072351355 176374141 /nfs/dbraw/zinc/37/41/41/176374141.db2.gz BKSTWIMBIQCXJU-UHFFFAOYSA-N 0 3 273.405 3.323 40 0 CGABHN Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C)C3)n2)n1 ZINC000072359944 176376982 /nfs/dbraw/zinc/37/69/82/176376982.db2.gz PLYRWKFUGQZMGC-AWEZNQCLSA-N 0 3 297.406 3.041 40 0 CGABHN COc1ccccc1CN1CCC[C@@H]1c1[nH]ncc1C ZINC000072363816 176378553 /nfs/dbraw/zinc/37/85/53/176378553.db2.gz MVVADVOSMBMZKE-CQSZACIVSA-N 0 3 271.364 3.064 40 0 CGABHN c1cc([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000072369522 176384283 /nfs/dbraw/zinc/38/42/83/176384283.db2.gz UDFLNTZPTVBTJH-MRXNPFEDSA-N 0 3 295.386 3.065 40 0 CGABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccsc1)C2 ZINC000096039317 185068834 /nfs/dbraw/zinc/06/88/34/185068834.db2.gz LAAKIQNSRBQHRA-JKSUJKDBSA-N 0 3 295.448 3.156 40 0 CGABHN CO[C@H]1COC2(C1)CCN(Cc1ccccc1Cl)CC2 ZINC000096106538 185099074 /nfs/dbraw/zinc/09/90/74/185099074.db2.gz WCLUFQVXELRNQE-CQSZACIVSA-N 0 3 295.810 3.110 40 0 CGABHN CC(C)Oc1ccccc1[C@H](C)NC[C@H]1CCCO1 ZINC000128157823 187354982 /nfs/dbraw/zinc/35/49/82/187354982.db2.gz JCSFYSCQPWVAPP-UONOGXRCSA-N 0 3 263.381 3.303 40 0 CGABHN CC(C)[C@H]1C[C@H](N)c2cc(Br)ccc2O1 ZINC000130879620 346061330 /nfs/dbraw/zinc/06/13/30/346061330.db2.gz FLTFNJGIJIYDQX-CMPLNLGQSA-N 0 3 270.170 3.256 40 0 CGABHN c1cc2n(c1)C[C@@H](CCOCC1CC1)CN(C1CCC1)C2 ZINC000585095288 346724359 /nfs/dbraw/zinc/72/43/59/346724359.db2.gz NORALQMJOHNJIF-MRXNPFEDSA-N 0 3 288.435 3.289 40 0 CGABHN CN(C)c1ccc2c(c1)S[C@H]1CC(=N)CC[C@H]1N2 ZINC000604940885 348138727 /nfs/dbraw/zinc/13/87/27/348138727.db2.gz AVOGIHRAPDCQKW-YPMHNXCESA-N 0 3 261.394 3.211 40 0 CGABHN CN(C)C[C@H](O)c1ccc2oc3ccccc3c2c1 ZINC000004933913 368559876 /nfs/dbraw/zinc/55/98/76/368559876.db2.gz WBDAUDFPTHOOIE-AWEZNQCLSA-N 0 3 255.317 3.181 40 0 CGABHN c1ccc(Cc2nnc([C@H]3CCN(C4CCC4)C3)o2)cc1 ZINC000049169813 369390657 /nfs/dbraw/zinc/39/06/57/369390657.db2.gz VNIFENYSAYWLNF-AWEZNQCLSA-N 0 3 283.375 3.002 40 0 biogenic,in-vitro CGABHN CN1CCC(O)(c2ccc(Oc3ccccc3)cc2)CC1 ZINC000079030437 369960183 /nfs/dbraw/zinc/96/01/83/369960183.db2.gz PVCNUFKAUVAXGP-UHFFFAOYSA-N 0 3 283.371 3.392 40 0 CGABHN c1cc(CN2CC[C@@]3(C2)CCCN(c2ccccn2)C3)co1 ZINC000096216626 370209163 /nfs/dbraw/zinc/20/91/63/370209163.db2.gz ZXEMTJHLKFXPOH-GOSISDBHSA-N 0 3 297.402 3.167 40 0 CGABHN c1ccc2ncc(CC3CCN([C@@H]4CCOC4)CC3)cc2c1 ZINC000257230967 190016016 /nfs/dbraw/zinc/01/60/16/190016016.db2.gz GEQZLDFMYUGDJU-GOSISDBHSA-N 0 3 296.414 3.278 40 0 CGABHN Cc1ccc(CN2CCC[C@@H]2CCc2ccncc2)cn1 ZINC000257263304 190022666 /nfs/dbraw/zinc/02/26/66/190022666.db2.gz LPFISWWMKMZSIZ-GOSISDBHSA-N 0 3 281.403 3.382 40 0 CGABHN Cc1cncc(C2CCN(Cc3cccs3)CC2)n1 ZINC000257332107 190035929 /nfs/dbraw/zinc/03/59/29/190035929.db2.gz XVUONZWLXNXGGX-UHFFFAOYSA-N 0 3 273.405 3.226 40 0 CGABHN COCCNCc1cccn1-c1ccc(C)c(Cl)c1 ZINC000223687655 376258586 /nfs/dbraw/zinc/25/85/86/376258586.db2.gz YFOPAOMELIGFIJ-UHFFFAOYSA-N 0 3 278.783 3.175 40 0 CGABHN NCc1cc2ccc(Br)cc2nc1Cl ZINC000259379580 542354945 /nfs/dbraw/zinc/35/49/45/542354945.db2.gz MMTFPMBLHOTMAW-UHFFFAOYSA-N 0 3 271.545 3.109 40 0 CGABHN CCNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)n1 ZINC000329055334 392677219 /nfs/dbraw/zinc/67/72/19/392677219.db2.gz VMUMHVSQNCFUKG-GFCCVEGCSA-N 0 3 282.391 3.168 40 0 CGABHN CCOC(=O)C[C@@H](NC1CC1)c1cccc(Cl)c1 ZINC000072210285 397640514 /nfs/dbraw/zinc/64/05/14/397640514.db2.gz FKQVYPZPQYRISB-CYBMUJFWSA-N 0 3 267.756 3.086 40 0 CGABHN CCOC(=O)C[C@H](NC1CC1)c1ccc(Cl)cc1 ZINC000072210282 397640594 /nfs/dbraw/zinc/64/05/94/397640594.db2.gz CXITWRHUFOVUTP-ZDUSSCGKSA-N 0 3 267.756 3.086 40 0 CGABHN COC(=O)/C(=C/c1ccccc1)CN1CCCC[C@H]1C ZINC000006488214 170205263 /nfs/dbraw/zinc/20/52/63/170205263.db2.gz CYTSEDNEUSSRPV-RGHBXIHOSA-N 0 3 273.376 3.117 40 0 CGABHN Fc1ccc2oc([C@H]3CCN(Cc4ccccn4)C3)nc2c1 ZINC000035446911 172202828 /nfs/dbraw/zinc/20/28/28/172202828.db2.gz GWQKYGUCUMMEBY-LBPRGKRZSA-N 0 3 297.333 3.351 40 0 biogenic,in-vitro CGABHN CC(C)C[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441122 173210259 /nfs/dbraw/zinc/21/02/59/173210259.db2.gz WKHWVBBIIZLYIH-SECBINFHSA-N 0 3 282.185 3.371 40 0 CGABHN CC(C)C[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441122 173210261 /nfs/dbraw/zinc/21/02/61/173210261.db2.gz WKHWVBBIIZLYIH-SECBINFHSA-N 0 3 282.185 3.371 40 0 CGABHN c1cc2cc(C[C@@H]3CCN(Cc4ccncc4)C3)cnc2[nH]1 ZINC000072367622 176382794 /nfs/dbraw/zinc/38/27/94/176382794.db2.gz CNIFZQZGSSJELU-HNNXBMFYSA-N 0 3 292.386 3.023 40 0 CGABHN Cc1cncc([C@@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000072369406 176384239 /nfs/dbraw/zinc/38/42/39/176384239.db2.gz FTVVUQPQVGUCMQ-CQSZACIVSA-N 0 3 273.405 3.226 40 0 CGABHN Clc1ccc(CN2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000072381580 176387552 /nfs/dbraw/zinc/38/75/52/176387552.db2.gz MJHFNQHUYKJNAD-GFCCVEGCSA-N 0 3 261.756 3.053 40 0 CGABHN CC(C)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000074713332 275754573 /nfs/dbraw/zinc/75/45/73/275754573.db2.gz YUUJQECFHNSVJV-UHFFFAOYSA-N 0 3 260.381 3.090 40 0 CGABHN NCc1c[nH]c(=S)n1[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC000004631293 295276785 /nfs/dbraw/zinc/27/67/85/295276785.db2.gz YZZVIKDAOTXDEB-SNVBAGLBSA-N 0 3 295.358 3.013 40 0 CGABHN CC(C)OC(=O)c1ccc(CN2CCCCCC2)o1 ZINC000062718790 519752151 /nfs/dbraw/zinc/75/21/51/519752151.db2.gz GHJDKNOZLADDAL-UHFFFAOYSA-N 0 3 265.353 3.221 40 0 CGABHN CN(C)C[C@H](C(=O)Cc1ccccc1)c1ccccc1 ZINC000002042527 368444245 /nfs/dbraw/zinc/44/42/45/368444245.db2.gz NIISBOCIVFUFDB-KRWDZBQOSA-N 0 3 267.372 3.144 40 0 CGABHN CC[C@H]1C[C@@H](CNC(=O)OCCN(CC)CC)C1(C)C ZINC000004191310 368535004 /nfs/dbraw/zinc/53/50/04/368535004.db2.gz CZZWABSJFGCIPD-KBPBESRZSA-N 0 3 284.444 3.127 40 0 CGABHN COc1cc2c(cc1OCc1ccccc1)[C@H](C)NCC2 ZINC000003847305 368521273 /nfs/dbraw/zinc/52/12/73/368521273.db2.gz UJUNDAYVNBUMOJ-ZDUSSCGKSA-N 0 3 283.371 3.481 40 0 CGABHN CCOc1cc(CNCCOC)ccc1OC1CCCC1 ZINC000062731210 369630473 /nfs/dbraw/zinc/63/04/73/369630473.db2.gz VAQRHJJWLUHRJD-UHFFFAOYSA-N 0 3 293.407 3.143 40 0 CGABHN CN1CCC(CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000074921004 369890515 /nfs/dbraw/zinc/89/05/15/369890515.db2.gz HAVOYAZOTINVKN-UHFFFAOYSA-N 0 3 266.772 3.010 40 0 CGABHN c1cc2nccc(C3CCN(Cc4ccsc4)CC3)n2n1 ZINC000257216961 190014014 /nfs/dbraw/zinc/01/40/14/190014014.db2.gz CWWGOJOXKRQWMG-UHFFFAOYSA-N 0 3 298.415 3.170 40 0 CGABHN Cc1cccnc1CN1CCC(Cc2ccncc2)CC1 ZINC000257288549 190026935 /nfs/dbraw/zinc/02/69/35/190026935.db2.gz PUQGEBBWNCDICR-UHFFFAOYSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1cc(-c2cc(C)nc([C@H]3CCCN(C(C)C)C3)n2)n[nH]1 ZINC000257268697 377796824 /nfs/dbraw/zinc/79/68/24/377796824.db2.gz MMUZNEISMROCLO-AWEZNQCLSA-N 0 3 299.422 3.071 40 0 CGABHN CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2)cn1 ZINC000072214331 392198943 /nfs/dbraw/zinc/19/89/43/392198943.db2.gz ZDNLVWBDLVKZEU-GFCCVEGCSA-N 0 3 277.368 3.243 40 0 CGABHN Cc1cc([C@@H]2CCCN2C)cnc1N1CCCCC1 ZINC000072219145 392199953 /nfs/dbraw/zinc/19/99/53/392199953.db2.gz UGSRPJZBSJGSRI-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN Cc1nc(N2CCCCC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224555 392204834 /nfs/dbraw/zinc/20/48/34/392204834.db2.gz XSIZQVSJHHXAOG-SFHVURJKSA-N 0 3 281.403 3.428 40 0 CGABHN COc1cccc(C=O)c1OCCCN1CCCCCC1 ZINC000008731500 170351081 /nfs/dbraw/zinc/35/10/81/170351081.db2.gz PMMADLXZUZJJNU-UHFFFAOYSA-N 0 3 291.391 3.153 40 0 CGABHN CC[C@H]1CCCCN1CCOc1ccc(C=O)cc1 ZINC000020131544 171020134 /nfs/dbraw/zinc/02/01/34/171020134.db2.gz RAPRUKAIXIUSDA-HNNXBMFYSA-N 0 3 261.365 3.142 40 0 CGABHN Fc1ccc2[nH]c([C@H]3CCN(Cc4ccccn4)C3)nc2c1 ZINC000035446608 172202914 /nfs/dbraw/zinc/20/29/14/172202914.db2.gz HWSDZIQRRDTDDW-LBPRGKRZSA-N 0 3 296.349 3.087 40 0 biogenic,in-vitro CGABHN CC(C)N(Cc1c(Cl)cccc1Cl)C(=O)[C@H](C)N ZINC000079420302 275621593 /nfs/dbraw/zinc/62/15/93/275621593.db2.gz KDXDCNZWEOVLMA-VIFPVBQESA-N 0 3 289.206 3.078 40 0 CGABHN CCN1CCC[C@@H]1c1cnc(N2CCCC2)cc1C ZINC000072218851 279315471 /nfs/dbraw/zinc/31/54/71/279315471.db2.gz AKWDUUPDZNYMBP-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN COc1cc(CN[C@H](C)c2ccccc2)cc(OC)c1O ZINC000004255591 522485249 /nfs/dbraw/zinc/48/52/49/522485249.db2.gz XVPRDKDPCAEZNC-GFCCVEGCSA-N 0 3 287.359 3.260 40 0 CGABHN CC(C)[C@@H]1C[C@H](N)c2cc(Br)ccc2O1 ZINC000130879412 346061810 /nfs/dbraw/zinc/06/18/10/346061810.db2.gz FLTFNJGIJIYDQX-JQWIXIFHSA-N 0 3 270.170 3.256 40 0 CGABHN c1coc(CN2CCC(c3ccc4c(c3)OCO4)CC2)c1 ZINC000012113970 368603539 /nfs/dbraw/zinc/60/35/39/368603539.db2.gz JIKALCLFUGQVMN-UHFFFAOYSA-N 0 3 285.343 3.388 40 0 CGABHN Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c1C ZINC000026780525 368863622 /nfs/dbraw/zinc/86/36/22/368863622.db2.gz ZDVNGNUZRJZLAN-WMZOPIPTSA-N 0 3 299.414 3.394 40 0 CGABHN Cc1cccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c1C ZINC000026780521 368864015 /nfs/dbraw/zinc/86/40/15/368864015.db2.gz ZDVNGNUZRJZLAN-FUHWJXTLSA-N 0 3 299.414 3.394 40 0 CGABHN OC(c1ccccc1)(c1ccccc1)C12CCN(CC1)CC2 ZINC000027910809 368876402 /nfs/dbraw/zinc/87/64/02/368876402.db2.gz VUUAKOZGGDHCRP-UHFFFAOYSA-N 0 3 293.410 3.408 40 0 CGABHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220994 368882201 /nfs/dbraw/zinc/88/22/01/368882201.db2.gz KAPXOOSXFBFSKB-CQSZACIVSA-N 0 3 294.826 3.078 40 0 CGABHN CC(C)(C)OC(=O)CCNCc1ccccc1Cl ZINC000047218993 369310288 /nfs/dbraw/zinc/31/02/88/369310288.db2.gz OFMONLHOXXZVPZ-UHFFFAOYSA-N 0 3 269.772 3.161 40 0 CGABHN N[C@H](c1ccc(C(F)(F)F)cc1)c1cccnc1 ZINC000055205688 369513088 /nfs/dbraw/zinc/51/30/88/369513088.db2.gz LQWFYKWWZGFHBJ-GFCCVEGCSA-N 0 3 252.239 3.149 40 0 CGABHN N[C@H](c1ccncc1)c1ccc(C(F)(F)F)cc1 ZINC000055205715 369513378 /nfs/dbraw/zinc/51/33/78/369513378.db2.gz YNJOPXFMEFAMDQ-LBPRGKRZSA-N 0 3 252.239 3.149 40 0 CGABHN CC(C)(N)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1 ZINC000088131135 370029360 /nfs/dbraw/zinc/02/93/60/370029360.db2.gz AGORGFNWYAUYSU-UHFFFAOYSA-N 0 3 285.269 3.169 40 0 in-vitro CGABHN COc1ccc2c3c1OC1=C[C@H](C)C=C4[C@@H](C2)N(C)CC[C@@]134 ZINC000096316436 370210420 /nfs/dbraw/zinc/21/04/20/370210420.db2.gz LUBWAENLSVGGLJ-FRGNPEFRSA-N 0 3 295.382 3.046 40 0 biogenic,in-vitro CGABHN Cc1c[nH]c(-c2cc([C@@H]3CCCN(C(C)C)C3)nc(C)n2)n1 ZINC000257242903 190018345 /nfs/dbraw/zinc/01/83/45/190018345.db2.gz IEQVQIXAXBXMQB-CQSZACIVSA-N 0 3 299.422 3.071 40 0 CGABHN CC(C)n1nccc1CN1CCC[C@@H]1CCc1ccncc1 ZINC000257288062 190026915 /nfs/dbraw/zinc/02/69/15/190026915.db2.gz PSQFMJJLHSCDRD-QGZVFWFLSA-N 0 3 298.434 3.456 40 0 CGABHN C[C@@H]1C[C@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722804 376783383 /nfs/dbraw/zinc/78/33/83/376783383.db2.gz XVHAIQLVLSSAMN-PWSUYJOCSA-N 0 3 262.353 3.220 40 0 CGABHN CCCNc1ncc([C@H](N)c2ccccc2)cc1C ZINC000072222181 256706603 /nfs/dbraw/zinc/70/66/03/256706603.db2.gz RUFQLSGPNDRRSO-OAHLLOKOSA-N 0 3 255.365 3.260 40 0 CGABHN CCCCN1CCC[C@@H]1c1cccnc1N(C)CC ZINC000072212781 392198825 /nfs/dbraw/zinc/19/88/25/392198825.db2.gz OBVGXDJLIUFHJE-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN CCN(CC)c1ncccc1[C@H]1CCCCN1CC ZINC000072212912 392199096 /nfs/dbraw/zinc/19/90/96/392199096.db2.gz ICHUSEGNFSNMCK-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2)cn1 ZINC000072214330 392199256 /nfs/dbraw/zinc/19/92/56/392199256.db2.gz ZDNLVWBDLVKZEU-LBPRGKRZSA-N 0 3 277.368 3.243 40 0 CGABHN Cc1cc(Br)ncc1[C@H](N)c1ccccc1 ZINC000072222962 392203232 /nfs/dbraw/zinc/20/32/32/392203232.db2.gz UCCPLEFVRPMCGQ-CYBMUJFWSA-N 0 3 277.165 3.201 40 0 CGABHN Cc1nc(NC2CC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224863 392204822 /nfs/dbraw/zinc/20/48/22/392204822.db2.gz QAMFOFOOKPNBKS-INIZCTEOSA-N 0 3 253.349 3.012 40 0 CGABHN CCOC(=O)C[C@H](NC1CC1)c1cccc(Cl)c1 ZINC000072210284 397640495 /nfs/dbraw/zinc/64/04/95/397640495.db2.gz FKQVYPZPQYRISB-ZDUSSCGKSA-N 0 3 267.756 3.086 40 0 CGABHN CNCC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000005043960 170060465 /nfs/dbraw/zinc/06/04/65/170060465.db2.gz ZJZVRPGENAAQNC-MYMYQCDVSA-N 0 3 283.415 3.313 40 0 CGABHN CN(C)CCC(=O)C1CCC(c2ccccc2)CC1 ZINC000006711845 170231633 /nfs/dbraw/zinc/23/16/33/170231633.db2.gz ONCWBVIVGAZCNK-UHFFFAOYSA-N 0 3 259.393 3.481 40 0 CGABHN C[C@@H]1CCCCN1CCCOc1ccccc1C=O ZINC000008731551 170351295 /nfs/dbraw/zinc/35/12/95/170351295.db2.gz ZBTBOTFVUDMAOT-CQSZACIVSA-N 0 3 261.365 3.142 40 0 CGABHN CN1CCC[C@@H](c2cnc(-c3ccc(F)c(F)c3)cn2)C1 ZINC000072365103 176380221 /nfs/dbraw/zinc/38/02/21/176380221.db2.gz XBXBGNJOTVOKFX-GFCCVEGCSA-N 0 3 289.329 3.231 40 0 CGABHN N=C1NC[C@H]2c3ccccc3Cc3cc(Cl)ccc3N12 ZINC000038600353 274942999 /nfs/dbraw/zinc/94/29/99/274942999.db2.gz OHOWXEDRJQSBEY-HNNXBMFYSA-N 0 3 283.762 3.120 40 0 in-vitro CGABHN CN[C@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000022029093 277041621 /nfs/dbraw/zinc/04/16/21/277041621.db2.gz LRRGBERSAASSOC-CYBMUJFWSA-N 0 3 273.207 3.350 40 0 CGABHN CCCCN(CCCC)[C@@H](C(N)=O)c1ccc(OC)cc1 ZINC000002036734 278692973 /nfs/dbraw/zinc/69/29/73/278692973.db2.gz WUSAVCGXMSWMQM-MRXNPFEDSA-N 0 3 292.423 3.124 40 0 in-man CGABHN C[C@H]1[C@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004011405 280120269 /nfs/dbraw/zinc/12/02/69/280120269.db2.gz RUYRAUWKVSWJFK-LIRZEXBASA-N 0 3 267.372 3.459 40 0 CGABHN CN(C)Cc1ccnc([C@H]2CCCN2C2CCCCC2)n1 ZINC000257309809 282150388 /nfs/dbraw/zinc/15/03/88/282150388.db2.gz UCLOZOKLYSWYAY-MRXNPFEDSA-N 0 3 288.439 3.008 40 0 CGABHN CC(C)Oc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 ZINC000128157190 187354879 /nfs/dbraw/zinc/35/48/79/187354879.db2.gz JCSFYSCQPWVAPP-KGLIPLIRSA-N 0 3 263.381 3.303 40 0 CGABHN CN(C)CC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000001675298 368430350 /nfs/dbraw/zinc/43/03/50/368430350.db2.gz DWURDFRXEBBVGU-SFHVURJKSA-N 0 3 269.388 3.069 40 0 CGABHN CCCC[C@@H](CC)[C@H]1OC[C@H](CN2CCCC2)O1 ZINC000004124583 368532651 /nfs/dbraw/zinc/53/26/51/368532651.db2.gz YGCPCVLTZNXDDJ-ILXRZTDVSA-N 0 3 255.402 3.040 40 0 CGABHN c1c2cccnc2[nH]c1C1CCN(Cc2ccncc2)CC1 ZINC000019346949 368748677 /nfs/dbraw/zinc/74/86/77/368748677.db2.gz YJLBPMSLGKIBRT-UHFFFAOYSA-N 0 3 292.386 3.338 40 0 CGABHN COC[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096209040 370209323 /nfs/dbraw/zinc/20/93/23/370209323.db2.gz LZPGLHPLSHHVDT-OAHLLOKOSA-N 0 3 295.448 3.013 40 0 CGABHN CCCCCCNCc1cnn(C)c1C(F)(F)F ZINC000256053502 190004677 /nfs/dbraw/zinc/00/46/77/190004677.db2.gz RRWOYANOEGLXRG-UHFFFAOYSA-N 0 3 263.307 3.109 40 0 CGABHN CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257213048 190012852 /nfs/dbraw/zinc/01/28/52/190012852.db2.gz CFYZFGUYROSFBV-UHFFFAOYSA-N 0 3 268.364 3.029 40 0 CGABHN Cc1ccc(CN2CC[C@H](c3nccc(C)n3)C2)s1 ZINC000257241834 190018604 /nfs/dbraw/zinc/01/86/04/190018604.db2.gz HZUHHDVVAYMYNM-ZDUSSCGKSA-N 0 3 273.405 3.144 40 0 CGABHN CN1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257319277 190033322 /nfs/dbraw/zinc/03/33/22/190033322.db2.gz VRQOZFKITYQNOR-ZDUSSCGKSA-N 0 3 274.339 3.214 40 0 CGABHN Cc1cn(C)c([C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000257328695 190035115 /nfs/dbraw/zinc/03/51/15/190035115.db2.gz XGSQBABSSZEUOF-ZDUSSCGKSA-N 0 3 275.421 3.170 40 0 CGABHN Cc1c[nH]c([C@H]2CCCN(Cc3cccs3)C2)n1 ZINC000257337146 190036453 /nfs/dbraw/zinc/03/64/53/190036453.db2.gz YROUITNGNHPCEV-LBPRGKRZSA-N 0 3 261.394 3.159 40 0 CGABHN COc1ccc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257344964 190037797 /nfs/dbraw/zinc/03/77/97/190037797.db2.gz ZZKAEHWQAFGZPN-OAHLLOKOSA-N 0 3 285.391 3.106 40 0 CGABHN O=C1Nc2ccccc2C12CCN(Cc1ccsc1)CC2 ZINC000096052474 284933175 /nfs/dbraw/zinc/93/31/75/284933175.db2.gz SMHJDMCLBPGNJB-UHFFFAOYSA-N 0 3 298.411 3.234 40 0 CGABHN CCCNc1cc(C)c([C@H](N)c2ccccc2)cn1 ZINC000072223217 256704911 /nfs/dbraw/zinc/70/49/11/256704911.db2.gz SBFZCJINXCLZQL-MRXNPFEDSA-N 0 3 255.365 3.260 40 0 CGABHN [O-]c1ccc(Cl)c2ccc(CC[NH+]3CCCC3)nc12 ZINC000059474701 392121029 /nfs/dbraw/zinc/12/10/29/392121029.db2.gz NAHQGQXNXXTVCE-UHFFFAOYSA-N 0 3 276.767 3.232 40 0 CGABHN CCCN1CCCC[C@@H]1c1ccc(N(C)CC)nc1 ZINC000072212734 392198788 /nfs/dbraw/zinc/19/87/88/392198788.db2.gz DPIXXTIBCUTEJG-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072214423 392199252 /nfs/dbraw/zinc/19/92/52/392199252.db2.gz MYMSUWGPGPWQLF-ZDUSSCGKSA-N 0 3 291.395 3.220 40 0 CGABHN Cc1cc(NC(C)C)ncc1[C@H](N)c1ccccc1 ZINC000072223013 392203210 /nfs/dbraw/zinc/20/32/10/392203210.db2.gz LRDUUQMYSPWMKG-MRXNPFEDSA-N 0 3 255.365 3.258 40 0 CGABHN CC[C@H](c1ccccc1)N(C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079418747 392220749 /nfs/dbraw/zinc/22/07/49/392220749.db2.gz QQCFCPRAFRZOIS-CVEARBPZSA-N 0 3 276.424 3.358 40 0 CGABHN COc1cc(CNC[C@H]2CCCO2)cc2ccccc21 ZINC000096527846 392259082 /nfs/dbraw/zinc/25/90/82/392259082.db2.gz OQZCFQXRQRTQFW-OAHLLOKOSA-N 0 3 271.360 3.117 40 0 CGABHN c1ccc([C@@H]2NCC3(CCOCC3)c3ccccc32)cc1 ZINC000019789200 285490841 /nfs/dbraw/zinc/49/08/41/285490841.db2.gz ICFBIQTYGQSYPR-SFHVURJKSA-N 0 3 279.383 3.427 40 0 CGABHN Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000006412812 170199628 /nfs/dbraw/zinc/19/96/28/170199628.db2.gz FLVDRJMOKMANQK-UHFFFAOYSA-N 0 3 270.119 3.277 40 0 CGABHN COc1cccc(C=O)c1OCCCN1CCC(C)CC1 ZINC000008731569 170351025 /nfs/dbraw/zinc/35/10/25/170351025.db2.gz PFNMBTYMBWQIIU-UHFFFAOYSA-N 0 3 291.391 3.009 40 0 CGABHN CCCOc1ccc(CNC[C@H]2CCCO2)cc1OCC ZINC000020933255 171281164 /nfs/dbraw/zinc/28/11/64/171281164.db2.gz KFNHNZIUSYNJGJ-OAHLLOKOSA-N 0 3 293.407 3.143 40 0 CGABHN CC[C@H](C)[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441210 173211131 /nfs/dbraw/zinc/21/11/31/173211131.db2.gz PURFUQMZTZSMDZ-CPCISQLKSA-N 0 3 282.185 3.371 40 0 CGABHN CC[C@H](C)[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441210 173211132 /nfs/dbraw/zinc/21/11/32/173211132.db2.gz PURFUQMZTZSMDZ-CPCISQLKSA-N 0 3 282.185 3.371 40 0 CGABHN NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCC1 ZINC000038827618 174156882 /nfs/dbraw/zinc/15/68/82/174156882.db2.gz PAUUGIUYNYWNGL-LBPRGKRZSA-N 0 3 259.180 3.089 40 0 CGABHN CCOc1cc(CNC[C@@H]2CCCO2)ccc1OC(C)C ZINC000040728686 174388020 /nfs/dbraw/zinc/38/80/20/174388020.db2.gz ULGPCQQZYRLKBA-HNNXBMFYSA-N 0 3 293.407 3.141 40 0 CGABHN COc1ccc(C)cc1CN1CCC[C@H](c2cnccn2)C1 ZINC000072373120 176384741 /nfs/dbraw/zinc/38/47/41/176384741.db2.gz KQWIQVJTWDYNQC-HNNXBMFYSA-N 0 3 297.402 3.173 40 0 CGABHN COc1cc(C=O)ccc1OCCN1[C@H](C)CCC[C@@H]1C ZINC000217789239 533720716 /nfs/dbraw/zinc/72/07/16/533720716.db2.gz BGJXXLPIECDXQG-OKILXGFUSA-N 0 3 291.391 3.149 40 0 CGABHN Cc1ccccc1-c1nc([C@@H](N)c2ccc(Cl)cc2)n[nH]1 ZINC000095534001 185006867 /nfs/dbraw/zinc/00/68/67/185006867.db2.gz QUOTWEIABHBGHG-AWEZNQCLSA-N 0 3 298.777 3.482 40 0 CGABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccsc1)CC2 ZINC000096047492 185072346 /nfs/dbraw/zinc/07/23/46/185072346.db2.gz HHVWFDKPJWHANS-MRXNPFEDSA-N 0 3 292.448 3.115 40 0 CGABHN c1cc(CN2CCC3(C[C@@H](c4cccnc4)CO3)CC2)co1 ZINC000096047770 185073679 /nfs/dbraw/zinc/07/36/79/185073679.db2.gz LJYOWIOQELNKKT-QGZVFWFLSA-N 0 3 298.386 3.213 40 0 CGABHN c1ccc2[nH]c(C3CCN(Cc4ccncc4)CC3)nc2c1 ZINC000091361993 180141719 /nfs/dbraw/zinc/14/17/19/180141719.db2.gz MZGAGWBCDSKZNZ-UHFFFAOYSA-N 0 3 292.386 3.338 40 0 CGABHN CC1(N[C@@H](Cc2ccccc2)c2ccccc2)COCOC1 ZINC000001667051 368427887 /nfs/dbraw/zinc/42/78/87/368427887.db2.gz KRXFORPABBFXIK-SFHVURJKSA-N 0 3 297.398 3.323 40 0 CGABHN O=C(CCN1CCCC1)c1ccc(Br)cc1 ZINC000001871373 368440686 /nfs/dbraw/zinc/44/06/86/368440686.db2.gz RZSASMZLDBUTHG-UHFFFAOYSA-N 0 3 282.181 3.118 40 0 CGABHN NC1=Nc2ccccc2Sc2nc3ccccc3n21 ZINC000008651845 368573355 /nfs/dbraw/zinc/57/33/55/368573355.db2.gz XGULQSGTYDMQKW-UHFFFAOYSA-N 0 3 266.329 3.396 40 0 CGABHN CC[C@@H]1CNCc2cc3c(C)ccc(C)c3nc2O1 ZINC000019500971 368755774 /nfs/dbraw/zinc/75/57/74/368755774.db2.gz BFHWERLRXTWOMP-CYBMUJFWSA-N 0 3 256.349 3.112 40 0 CGABHN CCc1ccc(C(=O)N[C@@H](C)CN2CCCCCC2)s1 ZINC000019522932 368756887 /nfs/dbraw/zinc/75/68/87/368756887.db2.gz BKTBBAFBSNTELW-ZDUSSCGKSA-N 0 3 294.464 3.305 40 0 CGABHN Cc1ccc(C)c(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000046882600 369299233 /nfs/dbraw/zinc/29/92/33/369299233.db2.gz RKKIJEIYFVRLTL-GASCZTMLSA-N 0 3 288.435 3.011 40 0 CGABHN c1coc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c1 ZINC000049169320 369390691 /nfs/dbraw/zinc/39/06/91/369390691.db2.gz JKEAVUUMSQZDCA-AWEZNQCLSA-N 0 3 295.342 3.319 40 0 biogenic,in-vitro CGABHN CCc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)o1 ZINC000096255075 370208469 /nfs/dbraw/zinc/20/84/69/370208469.db2.gz CHVHOFVIVMGURM-UHFFFAOYSA-N 0 3 297.402 3.110 40 0 CGABHN CC[C@H](C)n1nccc1CNCCc1ccccc1 ZINC000256052062 190003527 /nfs/dbraw/zinc/00/35/27/190003527.db2.gz LTEYPURNYYQATD-AWEZNQCLSA-N 0 3 257.381 3.186 40 0 CGABHN Cc1cccc(CN2CCC[C@H](c3nccs3)C2)n1 ZINC000257202135 190010692 /nfs/dbraw/zinc/01/06/92/190010692.db2.gz AKQDPKYZXBLFPV-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1n[nH]cc1CN1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257264751 190023222 /nfs/dbraw/zinc/02/32/22/190023222.db2.gz LVWYWQQVXBEZLY-HWWDLCQESA-N 0 3 297.402 3.008 40 0 CGABHN COCCNCc1cccn1-c1ccc(Cl)cc1C ZINC000223686374 376259300 /nfs/dbraw/zinc/25/93/00/376259300.db2.gz UABYBLHNNRRWPH-UHFFFAOYSA-N 0 3 278.783 3.175 40 0 CGABHN CCCOc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 ZINC000225167145 376296329 /nfs/dbraw/zinc/29/63/29/376296329.db2.gz WXAFJFPTBGVTKM-CJNGLKHVSA-N 0 3 263.381 3.305 40 0 CGABHN CN(C)CCN(Cc1cccs1)Cc1ccccc1 ZINC000023247833 391946569 /nfs/dbraw/zinc/94/65/69/391946569.db2.gz CZQHZFLOOZFESS-UHFFFAOYSA-N 0 3 274.433 3.312 40 0 CGABHN Cc1cc([C@H]2CCCCN2C(C)C)cnc1N(C)C ZINC000072218641 392200347 /nfs/dbraw/zinc/20/03/47/392200347.db2.gz WYHKEXVPBHEUJL-OAHLLOKOSA-N 0 3 261.413 3.391 40 0 CGABHN OCC[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001698288 296548923 /nfs/dbraw/zinc/54/89/23/296548923.db2.gz FDWNWNQGMWZOFX-CQSZACIVSA-N 0 3 253.773 3.249 40 0 CGABHN CN1CCC(OC(=O)Nc2cccc3ccccc32)CC1 ZINC000005675018 170126981 /nfs/dbraw/zinc/12/69/81/170126981.db2.gz CMMKXNWQRFYJOU-UHFFFAOYSA-N 0 3 284.359 3.483 40 0 CGABHN CC1CC[NH+](Cc2ccc([O-])c3ncccc23)CC1 ZINC000020192120 171058378 /nfs/dbraw/zinc/05/83/78/171058378.db2.gz HRKMAGBFYKDBAD-UHFFFAOYSA-N 0 3 256.349 3.172 40 0 CGABHN Cc1cn[nH]c1[C@@H]1CCCN1Cc1cccc(F)c1 ZINC000072364010 176378830 /nfs/dbraw/zinc/37/88/30/176378830.db2.gz LBMOIIPWPHQQST-AWEZNQCLSA-N 0 3 259.328 3.194 40 0 CGABHN C[C@H]1CCCN([C@@H](CN)c2c(F)cccc2Cl)C1 ZINC000022178480 299852324 /nfs/dbraw/zinc/85/23/24/299852324.db2.gz MGGRPVFTHDOROX-GWCFXTLKSA-N 0 3 270.779 3.211 40 0 CGABHN CN(C)C[C@@](C)(Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000001843233 276800930 /nfs/dbraw/zinc/80/09/30/276800930.db2.gz VLTKRRBYKMGKNV-QZTJIDSGSA-N 0 3 285.387 3.119 40 0 CGABHN Cc1ccccc1-c1nc([C@H](N)c2ccc(Cl)cc2)n[nH]1 ZINC000095534000 185005684 /nfs/dbraw/zinc/00/56/84/185005684.db2.gz QUOTWEIABHBGHG-CQSZACIVSA-N 0 3 298.777 3.482 40 0 CGABHN CC(C)[C@@H]1C[C@@H](N)c2cc(Br)ccc2O1 ZINC000130879848 346061718 /nfs/dbraw/zinc/06/17/18/346061718.db2.gz FLTFNJGIJIYDQX-PWSUYJOCSA-N 0 3 270.170 3.256 40 0 CGABHN COCC[C@@H]1Cn2cccc2CN(Cc2cccs2)C1 ZINC000585094637 346724447 /nfs/dbraw/zinc/72/44/47/346724447.db2.gz BVZLFNAXKMZELZ-AWEZNQCLSA-N 0 3 290.432 3.218 40 0 CGABHN CCOP(=O)(OCC)[C@H](N)Cc1c[nH]c2ccccc12 ZINC000001587002 368420921 /nfs/dbraw/zinc/42/09/21/368420921.db2.gz UWBAVKPWFCHBPQ-AWEZNQCLSA-N 0 3 296.307 3.261 40 0 CGABHN N[C@H](c1ccc(O)cc1)c1cccc(Br)c1 ZINC000016697352 368719762 /nfs/dbraw/zinc/71/97/62/368719762.db2.gz QEYJAQHOURMNGR-CYBMUJFWSA-N 0 3 278.149 3.203 40 0 CGABHN Cc1nc2c(c(=O)[nH]1)CCN(CC[C@H](C)c1ccccc1)C2 ZINC000019576575 368756551 /nfs/dbraw/zinc/75/65/51/368756551.db2.gz GILNIYWRTKIJMT-ZDUSSCGKSA-N 0 3 297.402 3.043 40 0 CGABHN O[C@H](CNCc1ccccc1)c1cccc(Cl)c1 ZINC000026897941 368865230 /nfs/dbraw/zinc/86/52/30/368865230.db2.gz TZEGKWSSUBLZGT-OAHLLOKOSA-N 0 3 261.752 3.163 40 0 CGABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(Cl)c1)C(C)C ZINC000037808901 369116943 /nfs/dbraw/zinc/11/69/43/369116943.db2.gz SZUYMSNQUVYFIP-AWEZNQCLSA-N 0 3 282.815 3.060 40 0 CGABHN C[C@H](CNCc1ccccc1Cl)C(=O)OC(C)(C)C ZINC000047219125 369310055 /nfs/dbraw/zinc/31/00/55/369310055.db2.gz CWYPZUPXNJKXHY-LLVKDONJSA-N 0 3 283.799 3.407 40 0 CGABHN CC(C)(C)c1cc(CC2(NC3CCCCC3)COC2)no1 ZINC000067897837 369734691 /nfs/dbraw/zinc/73/46/91/369734691.db2.gz OIZBPPFZKDEOAC-UHFFFAOYSA-N 0 3 292.423 3.206 40 0 biogenic,in-vitro CGABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3c2cccc(C)n2)o1 ZINC000306141129 374127917 /nfs/dbraw/zinc/12/79/17/374127917.db2.gz VLWWFIYDAHQFPC-DLBZAZTESA-N 0 3 297.402 3.145 40 0 CGABHN CC(C)n1nccc1-c1cc([C@@H]2CCCN2C)ccn1 ZINC000257289193 190027738 /nfs/dbraw/zinc/02/77/38/190027738.db2.gz PXLIAENNXNRXNG-HNNXBMFYSA-N 0 3 270.380 3.293 40 0 CGABHN Cc1c[nH]c([C@@H]2CCCN2CCc2ccccc2)n1 ZINC000257295725 190028124 /nfs/dbraw/zinc/02/81/24/190028124.db2.gz QZPRFNUKBRPVRT-HNNXBMFYSA-N 0 3 255.365 3.098 40 0 CGABHN Cc1cccc(CN2CCC(Cc3ccncc3)CC2)n1 ZINC000257311366 190032029 /nfs/dbraw/zinc/03/20/29/190032029.db2.gz UJCFCCOGVFYMPU-UHFFFAOYSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1cc(N)ncc1[C@H]1CCCN1Cc1ccccc1 ZINC000072218490 392200576 /nfs/dbraw/zinc/20/05/76/392200576.db2.gz CSLVOZBAPRHDDP-MRXNPFEDSA-N 0 3 267.376 3.309 40 0 CGABHN Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1C ZINC000072219205 392200599 /nfs/dbraw/zinc/20/05/99/392200599.db2.gz DXOIDGIHFXEZEH-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN CCOc1cc(C=O)ccc1OCCCN1CCCCC1 ZINC000008731486 170351316 /nfs/dbraw/zinc/35/13/16/170351316.db2.gz HVHPLLFDXBNRBO-UHFFFAOYSA-N 0 3 291.391 3.153 40 0 CGABHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](N)c1ccccc1 ZINC000071617715 176234738 /nfs/dbraw/zinc/23/47/38/176234738.db2.gz NZRSPPIHSYBLSO-KGLIPLIRSA-N 0 3 276.380 3.086 40 0 CGABHN Cc1cccc(CN2CCC[C@H](Cc3cccnc3)C2)n1 ZINC000072385804 176390577 /nfs/dbraw/zinc/39/05/77/176390577.db2.gz VNIBATRLJZRPJX-QGZVFWFLSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1nc(NC2CC2)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000329013546 136377304 /nfs/dbraw/zinc/37/73/04/136377304.db2.gz MQKSPQZMLNFRKG-LBPRGKRZSA-N 0 3 294.402 3.311 40 0 CGABHN COCC[C@@H]1CCOC12CCN(Cc1ccsc1)CC2 ZINC000585102767 346724332 /nfs/dbraw/zinc/72/43/32/346724332.db2.gz GYVIKEHMZLXNBC-OAHLLOKOSA-N 0 3 295.448 3.156 40 0 CGABHN CN(C)c1ccc2c(c1)S[C@H]1CC(=N)CC[C@@H]1N2 ZINC000604940882 348138810 /nfs/dbraw/zinc/13/88/10/348138810.db2.gz AVOGIHRAPDCQKW-AAEUAGOBSA-N 0 3 261.394 3.211 40 0 CGABHN CCc1cc(C(=O)N[C@H](C)CN2CCCCCC2)cs1 ZINC000019522126 368757163 /nfs/dbraw/zinc/75/71/63/368757163.db2.gz IFPJJDBQZRXQTI-CYBMUJFWSA-N 0 3 294.464 3.305 40 0 CGABHN CN(C)CCN(Cc1cccs1)Cc1cccs1 ZINC000023247832 368818726 /nfs/dbraw/zinc/81/87/26/368818726.db2.gz OMQLYYNNNNOWNB-UHFFFAOYSA-N 0 3 280.462 3.373 40 0 CGABHN CCCCNCc1cc(F)ccc1Br ZINC000020044307 368795787 /nfs/dbraw/zinc/79/57/87/368795787.db2.gz GARKVJOFRRHBEG-UHFFFAOYSA-N 0 3 260.150 3.478 40 0 CGABHN Cc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)s1 ZINC000096049961 370202529 /nfs/dbraw/zinc/20/25/29/370202529.db2.gz SCZRIBLMIQJVFJ-MRXNPFEDSA-N 0 3 292.448 3.033 40 0 CGABHN CC(C)N(C)Cc1cncc2c1CCN(Cc1ccoc1)C2 ZINC000096189464 370207501 /nfs/dbraw/zinc/20/75/01/370207501.db2.gz FKYSRGDJYXKKSA-UHFFFAOYSA-N 0 3 299.418 3.073 40 0 CGABHN CN1CCC[C@H](c2cnc(Cc3ccccc3F)cn2)C1 ZINC000257209483 190012173 /nfs/dbraw/zinc/01/21/73/190012173.db2.gz BQOSWEDZBDVRFO-AWEZNQCLSA-N 0 3 285.366 3.016 40 0 CGABHN c1csc(CN2CCC(c3ccnc4ccnn43)CC2)c1 ZINC000257250344 190019900 /nfs/dbraw/zinc/01/99/00/190019900.db2.gz JMDXBYWOAGUXJQ-UHFFFAOYSA-N 0 3 298.415 3.170 40 0 CGABHN Cc1cn(C)c([C@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000257272802 190024510 /nfs/dbraw/zinc/02/45/10/190024510.db2.gz NDYDFUXKOIRVGV-AWEZNQCLSA-N 0 3 275.421 3.170 40 0 CGABHN C[C@H]1CCCN([C@@H](CN)c2ccccc2C(F)(F)F)C1 ZINC000022214540 391944453 /nfs/dbraw/zinc/94/44/53/391944453.db2.gz QXBLZPZKYKSHMT-FZMZJTMJSA-N 0 3 286.341 3.437 40 0 CGABHN COc1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 ZINC000072211654 392197007 /nfs/dbraw/zinc/19/70/07/392197007.db2.gz ZRDQMYXDLAKLOY-INIZCTEOSA-N 0 3 268.360 3.427 40 0 CGABHN CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2)cn1 ZINC000072214450 392198772 /nfs/dbraw/zinc/19/87/72/392198772.db2.gz DVWBRMATBLGORP-ZDUSSCGKSA-N 0 3 291.395 3.268 40 0 CGABHN CCN(CC)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072212896 392199158 /nfs/dbraw/zinc/19/91/58/392199158.db2.gz DNEUAWBGKJIOIR-OAHLLOKOSA-N 0 3 261.413 3.473 40 0 CGABHN Cc1cc(N2CCCC2)ncc1[C@H](N)c1ccccc1 ZINC000072223483 392202759 /nfs/dbraw/zinc/20/27/59/392202759.db2.gz UAAKTNZTYWRAFS-QGZVFWFLSA-N 0 3 267.376 3.038 40 0 CGABHN Cc1nc(N2CCCCC2)ccc1[C@H](N)c1ccccc1 ZINC000072224554 392204064 /nfs/dbraw/zinc/20/40/64/392204064.db2.gz XSIZQVSJHHXAOG-GOSISDBHSA-N 0 3 281.403 3.428 40 0 CGABHN C[C@H](N)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509779 392255910 /nfs/dbraw/zinc/25/59/10/392255910.db2.gz GATBGTUXYHUJOS-JTQLQIEISA-N 0 3 260.337 3.444 40 0 CGABHN c1ccc2c(c1)oc1c2ncnc1NCCN1CCCCC1 ZINC000005604900 170119035 /nfs/dbraw/zinc/11/90/35/170119035.db2.gz CXCNZWPCPRAXFI-UHFFFAOYSA-N 0 3 296.374 3.274 40 0 CGABHN CC[C@H](CO)NCc1cccc(OCc2ccccc2)c1 ZINC000005908190 170153578 /nfs/dbraw/zinc/15/35/78/170153578.db2.gz QYOOHLXOECKDGX-QGZVFWFLSA-N 0 3 285.387 3.126 40 0 CGABHN OCC[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000006536145 170211286 /nfs/dbraw/zinc/21/12/86/170211286.db2.gz FDWNWNQGMWZOFX-AWEZNQCLSA-N 0 3 253.773 3.249 40 0 CGABHN COc1cc(C=O)ccc1OCCCN1CCC[C@H](C)C1 ZINC000008731574 170351077 /nfs/dbraw/zinc/35/10/77/170351077.db2.gz MVAMVOKYOOMUMS-AWEZNQCLSA-N 0 3 291.391 3.009 40 0 CGABHN Cc1ccc2[nH]c([C@H]3CCN(Cc4ccccn4)C3)nc2c1 ZINC000035446562 172202373 /nfs/dbraw/zinc/20/23/73/172202373.db2.gz YAOFQVPYHFJYIR-AWEZNQCLSA-N 0 3 292.386 3.256 40 0 biogenic,in-vitro CGABHN Cc1ccc2nc([C@H]3CCN(Cc4ccccn4)C3)[nH]c2c1 ZINC000035446562 172202375 /nfs/dbraw/zinc/20/23/75/172202375.db2.gz YAOFQVPYHFJYIR-AWEZNQCLSA-N 0 3 292.386 3.256 40 0 biogenic,in-vitro CGABHN Cc1cccc(CNCCc2c[nH]c3ccccc23)n1 ZINC000040186684 174203025 /nfs/dbraw/zinc/20/30/25/174203025.db2.gz RPDIKLCMTSRUMI-UHFFFAOYSA-N 0 3 265.360 3.204 40 0 CGABHN Cc1cc([C@H]2CCCN(Cc3cccnc3)C2)ccn1 ZINC000072366678 176381987 /nfs/dbraw/zinc/38/19/87/176381987.db2.gz DBCLRWNDPIYCNJ-KRWDZBQOSA-N 0 3 267.376 3.165 40 0 CGABHN CC(C)c1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000074713334 275742514 /nfs/dbraw/zinc/74/25/14/275742514.db2.gz YOQHDEKVBINBSO-UHFFFAOYSA-N 0 3 260.381 3.090 40 0 CGABHN CCO[C@H]1CC2(CCN(C)CC2)c2cc(OC)ccc21 ZINC000096241876 276358791 /nfs/dbraw/zinc/35/87/91/276358791.db2.gz JNNJDJSVBLJSBO-INIZCTEOSA-N 0 3 275.392 3.140 40 0 CGABHN CCN1CCC[C@H]1c1cnc(N2CCCC2)c(C)c1 ZINC000072218792 276379915 /nfs/dbraw/zinc/37/99/15/276379915.db2.gz ALAPJRHGXIUCQB-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN CNCc1c(Br)sc2c1CCCC2 ZINC000064874371 277286620 /nfs/dbraw/zinc/28/66/20/277286620.db2.gz NFWIJOWDPMVMDE-UHFFFAOYSA-N 0 3 260.200 3.109 40 0 CGABHN Cc1ccc([C@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000095534088 185006239 /nfs/dbraw/zinc/00/62/39/185006239.db2.gz PLTLIKHGUSDFCQ-AWEZNQCLSA-N 0 3 298.777 3.482 40 0 CGABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096056792 185077117 /nfs/dbraw/zinc/07/71/17/185077117.db2.gz NLEXSHPMPYXTBJ-HZPDHXFCSA-N 0 3 295.448 3.156 40 0 CGABHN CC(C)Oc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 ZINC000127955665 187343781 /nfs/dbraw/zinc/34/37/81/187343781.db2.gz GJMYPHGIPZDABU-CZUORRHYSA-N 0 3 263.381 3.303 40 0 CGABHN CN1CC[C@@H]2[C@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000167171325 346188129 /nfs/dbraw/zinc/18/81/29/346188129.db2.gz OFPJOWXBDHSDOQ-IEBWSBKVSA-N 0 3 278.399 3.495 40 0 CGABHN Cc1n[nH]c(C)c1CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000352296529 219397532 /nfs/dbraw/zinc/39/75/32/219397532.db2.gz FKUQXBXCEVGEIP-INIZCTEOSA-N 0 3 287.382 3.373 40 0 CGABHN CCCCOc1cccc([C@H](C)NCCOC)c1 ZINC000225166198 189744798 /nfs/dbraw/zinc/74/47/98/189744798.db2.gz SBNSYPLDFJTRSM-ZDUSSCGKSA-N 0 3 251.370 3.163 40 0 CGABHN CC[C@H](C)[C@H](C(=O)OC1CCN(C)CC1)c1ccccc1 ZINC000000155894 368304945 /nfs/dbraw/zinc/30/49/45/368304945.db2.gz UKQYEYCQIQBHBC-YOEHRIQHSA-N 0 3 289.419 3.454 40 0 in-man CGABHN Cc1ccc(C(=O)OCc2ccccc2CN(C)C)cc1 ZINC000001716134 368434558 /nfs/dbraw/zinc/43/45/58/368434558.db2.gz ZNUNSNWOGGWMTF-UHFFFAOYSA-N 0 3 283.371 3.414 40 0 CGABHN CCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020112490 368804270 /nfs/dbraw/zinc/80/42/70/368804270.db2.gz PAXAFQZCLVLSEU-UHFFFAOYSA-N 0 3 288.435 3.448 40 0 CGABHN Cc1ccc(C)c(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000046882602 369298714 /nfs/dbraw/zinc/29/87/14/369298714.db2.gz RKKIJEIYFVRLTL-GJZGRUSLSA-N 0 3 288.435 3.011 40 0 CGABHN Cc1ccc(CNC[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219121 369310491 /nfs/dbraw/zinc/31/04/91/369310491.db2.gz SZVYSTNFZQRGIP-ZDUSSCGKSA-N 0 3 263.381 3.062 40 0 CGABHN CN(CCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000082609200 370003108 /nfs/dbraw/zinc/00/31/08/370003108.db2.gz XDDNKGZIWXRLDZ-UHFFFAOYSA-N 0 3 278.396 3.033 40 0 CGABHN CC(C)COC1CC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096159307 370205250 /nfs/dbraw/zinc/20/52/50/370205250.db2.gz OVSRNZCRPGRLAS-UHFFFAOYSA-N 0 3 288.435 3.499 40 0 CGABHN CC(C)(C)OC(=O)N1CCC(N)(c2ccccc2F)CC1 ZINC000098213838 370269531 /nfs/dbraw/zinc/26/95/31/370269531.db2.gz VPDHLEBSDRZKGH-UHFFFAOYSA-N 0 3 294.370 3.011 40 0 CGABHN CCc1nc(C)c(CN2CCC[C@H](Cc3cccnc3)C2)[nH]1 ZINC000257235123 190017008 /nfs/dbraw/zinc/01/70/08/190017008.db2.gz GWODMVLEMCRDRM-MRXNPFEDSA-N 0 3 298.434 3.130 40 0 CGABHN CCOc1ccccc1CN1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257265321 190022837 /nfs/dbraw/zinc/02/28/37/190022837.db2.gz LYEVDSRERUVALA-HNNXBMFYSA-N 0 3 285.391 3.106 40 0 CGABHN Cc1ccc(Nc2nccc([C@@H]3CCN(C(C)C)C3)n2)nc1 ZINC000257313180 190031695 /nfs/dbraw/zinc/03/16/95/190031695.db2.gz URHQFJLYFNKIKJ-CQSZACIVSA-N 0 3 297.406 3.121 40 0 CGABHN Cc1cc(-c2ccnn2C(C)C)nc([C@H]2CCCN(C)C2)n1 ZINC000257318086 190032684 /nfs/dbraw/zinc/03/26/84/190032684.db2.gz VMLNPFPMNDVMBA-AWEZNQCLSA-N 0 3 299.422 3.039 40 0 CGABHN Cc1ccc(-c2ccc3nnc([C@@H](N)C(C)C)n3n2)cc1C ZINC000217564684 376176043 /nfs/dbraw/zinc/17/60/43/376176043.db2.gz KNYKFWICDNDELN-INIZCTEOSA-N 0 3 295.390 3.064 40 0 CGABHN CCCOc1cccc([C@H](C)NC[C@H]2CCCO2)c1 ZINC000225167251 376296381 /nfs/dbraw/zinc/29/63/81/376296381.db2.gz WXAFJFPTBGVTKM-XJKSGUPXSA-N 0 3 263.381 3.305 40 0 CGABHN Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCCCN2C(C)C)n1 ZINC000257247360 377796096 /nfs/dbraw/zinc/79/60/96/377796096.db2.gz IYQPBJBIEKAMLE-INIZCTEOSA-N 0 3 285.395 3.111 40 0 CGABHN CCN1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215998 285201012 /nfs/dbraw/zinc/20/10/12/285201012.db2.gz OJNFZTVRYPEEHO-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1C ZINC000072218874 392200626 /nfs/dbraw/zinc/20/06/26/392200626.db2.gz ZJOZHUVRZCOQGC-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN Cc1nc(NC(C)C)ccc1[C@H](N)c1ccccc1 ZINC000072224055 392203040 /nfs/dbraw/zinc/20/30/40/392203040.db2.gz GCEVYSPBIHOVSA-MRXNPFEDSA-N 0 3 255.365 3.258 40 0 CGABHN Fc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC000096255080 392246352 /nfs/dbraw/zinc/24/63/52/392246352.db2.gz WLJLEHNAQXHJSR-UHFFFAOYSA-N 0 3 297.377 3.094 40 0 CGABHN Cc1ccc2c(c1)C1(CC2)CCN(Cc2cnn(C)c2)CC1 ZINC000096052542 392245141 /nfs/dbraw/zinc/24/51/41/392245141.db2.gz NRWJXGNYGHPWKS-UHFFFAOYSA-N 0 3 295.430 3.209 40 0 CGABHN CC(C)(CO)NCc1cccc(OCc2ccccc2)c1 ZINC000005817217 170143103 /nfs/dbraw/zinc/14/31/03/170143103.db2.gz AAFHDABJQXAMAQ-UHFFFAOYSA-N 0 3 285.387 3.126 40 0 CGABHN COc1ccc2[nH]c(C)c(CCNCc3ccco3)c2c1 ZINC000022078630 171352676 /nfs/dbraw/zinc/35/26/76/171352676.db2.gz HWBHRZCRKAHHIZ-UHFFFAOYSA-N 0 3 284.359 3.410 40 0 CGABHN COc1ccccc1CN1CCC[C@H]1c1[nH]ncc1C ZINC000072363815 176378173 /nfs/dbraw/zinc/37/81/73/176378173.db2.gz MVVADVOSMBMZKE-AWEZNQCLSA-N 0 3 271.364 3.064 40 0 CGABHN Cc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072363801 176378477 /nfs/dbraw/zinc/37/84/77/176378477.db2.gz HMYJASPSXLWXOF-MRXNPFEDSA-N 0 3 267.376 3.165 40 0 CGABHN C[C@H]1CCC[C@H](C)N1CCOc1ccc(C=O)cc1 ZINC000217788427 262344428 /nfs/dbraw/zinc/34/44/28/262344428.db2.gz SBNDMMYUZXEZDP-KBPBESRZSA-N 0 3 261.365 3.141 40 0 CGABHN CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1 ZINC000072214391 277205053 /nfs/dbraw/zinc/20/50/53/277205053.db2.gz YQSRSSHVZQTPSI-GFCCVEGCSA-N 0 3 277.368 3.243 40 0 CGABHN NC[C@@H](c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000019861938 303393907 /nfs/dbraw/zinc/39/39/07/303393907.db2.gz KNRSNTYTNXSTCC-LBPRGKRZSA-N 0 3 259.180 3.089 40 0 CGABHN O=C1CCC2(CCN(Cc3ccccc3)CC2)N1CC1CC1 ZINC000096075410 185090083 /nfs/dbraw/zinc/09/00/83/185090083.db2.gz WPCCKSWSUVXEHY-UHFFFAOYSA-N 0 3 298.430 3.054 40 0 CGABHN Cc1cnc(Nc2cccc([C@@H]3CCCN(C)C3)n2)s1 ZINC000585262533 346725741 /nfs/dbraw/zinc/72/57/41/346725741.db2.gz DHONIPVBMFPLAY-GFCCVEGCSA-N 0 3 288.420 3.399 40 0 CGABHN CC(C)n1nccc1-c1cnc([C@@H]2CCCN2C(C)C)cn1 ZINC000585180180 346726007 /nfs/dbraw/zinc/72/60/07/346726007.db2.gz SOLPRGJDLXJAAN-INIZCTEOSA-N 0 3 299.422 3.466 40 0 CGABHN CN(C)C[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001670708 368428401 /nfs/dbraw/zinc/42/84/01/368428401.db2.gz XEUOPBITPYQCMJ-SJORKVTESA-N 0 3 255.361 3.065 40 0 CGABHN Cc1ccc(CNCc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000013566536 368657747 /nfs/dbraw/zinc/65/77/47/368657747.db2.gz ATPBZUPJZPCLNS-UHFFFAOYSA-N 0 3 292.382 3.435 40 0 CGABHN CCN(CC)[C@H](CN)c1cccc(Cl)c1Cl ZINC000019806661 368766763 /nfs/dbraw/zinc/76/67/63/368766763.db2.gz SJZYAVUOKJBZJA-LLVKDONJSA-N 0 3 261.196 3.335 40 0 CGABHN Clc1ccc([C@@H]2NCCNCc3ccccc32)cc1 ZINC000019364669 368750121 /nfs/dbraw/zinc/75/01/21/368750121.db2.gz BIRFBGKBJMZZJI-INIZCTEOSA-N 0 3 272.779 3.122 40 0 CGABHN c1csc([C@@H](Cc2ccsc2)NC[C@H]2CCOC2)n1 ZINC000019406510 368751261 /nfs/dbraw/zinc/75/12/61/368751261.db2.gz DIWKJUZOBCAGTH-CHWSQXEVSA-N 0 3 294.445 3.115 40 0 CGABHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220998 368881918 /nfs/dbraw/zinc/88/19/18/368881918.db2.gz KAPXOOSXFBFSKB-AWEZNQCLSA-N 0 3 294.826 3.078 40 0 CGABHN Cc1ccc(CN2CC[C@H](c3nc4ccccc4n3C)C2)o1 ZINC000049171186 369391019 /nfs/dbraw/zinc/39/10/19/369391019.db2.gz CBKIFONPAPGPPV-AWEZNQCLSA-N 0 3 295.386 3.464 40 0 biogenic,in-vitro CGABHN CCCc1nnc([C@H]2CCN(Cc3cccs3)C2)o1 ZINC000049170338 369391212 /nfs/dbraw/zinc/39/12/12/369391212.db2.gz ZOQXORHOMRHEBI-NSHDSACASA-N 0 3 277.393 3.073 40 0 biogenic,in-vitro CGABHN CCN1CC[C@@H](c2cccc(Br)c2)C1 ZINC000066346900 369692333 /nfs/dbraw/zinc/69/23/33/369692333.db2.gz ZKLFJQPUTPGIOF-LLVKDONJSA-N 0 3 254.171 3.258 40 0 CGABHN Cc1cnc2[nH]c(C(C)C)c(CN3CCCOCC3)c2c1 ZINC000072395261 369817348 /nfs/dbraw/zinc/81/73/48/369817348.db2.gz XQXOHBVTHVKMQE-UHFFFAOYSA-N 0 3 287.407 3.217 40 0 CGABHN COc1ccc(NC(=O)CC2CCN(C)CC2)cc1Cl ZINC000074921011 369891394 /nfs/dbraw/zinc/89/13/94/369891394.db2.gz LVADZDLCBLBDFJ-UHFFFAOYSA-N 0 3 296.798 3.019 40 0 CGABHN CCN1C(=O)CC[C@]12CCCN(Cc1cccs1)CC2 ZINC000096217677 370208951 /nfs/dbraw/zinc/20/89/51/370208951.db2.gz TULDFJMRTSVMJD-INIZCTEOSA-N 0 3 292.448 3.115 40 0 CGABHN c1ncc(CN2CCC[C@@H]2CCc2ccncc2)s1 ZINC000257233851 190017267 /nfs/dbraw/zinc/01/72/67/190017267.db2.gz GQZOXPKDKJUNFF-CQSZACIVSA-N 0 3 273.405 3.135 40 0 CGABHN Cc1ccc(CN2CC[C@@H](c3nccc(C)n3)C2)cc1 ZINC000257220372 190014662 /nfs/dbraw/zinc/01/46/62/190014662.db2.gz DKOOUKUHNKFZFZ-MRXNPFEDSA-N 0 3 267.376 3.083 40 0 CGABHN COc1ccccc1CN1CC[C@@H](Cc2nccs2)C1 ZINC000257318162 190032662 /nfs/dbraw/zinc/03/26/62/190032662.db2.gz VMSWCVFCLDGABF-ZDUSSCGKSA-N 0 3 288.416 3.216 40 0 CGABHN COCCNCc1cc(C)n([C@H](C)c2ccccc2)c1C ZINC000223677866 376258254 /nfs/dbraw/zinc/25/82/54/376258254.db2.gz XQOMGKCDINYGMN-OAHLLOKOSA-N 0 3 286.419 3.450 40 0 CGABHN CSc1ncc(CNCCc2ccc(Cl)cc2)cn1 ZINC000062717251 256721686 /nfs/dbraw/zinc/72/16/86/256721686.db2.gz MNOHSELKZMVVFN-UHFFFAOYSA-N 0 3 293.823 3.184 40 0 CGABHN Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC=CCC2)c1 ZINC000006522337 397603329 /nfs/dbraw/zinc/60/33/29/397603329.db2.gz DOMNTPJHPATAFO-MRXNPFEDSA-N 0 3 289.419 3.120 40 0 CGABHN Cc1cccc2cc(CNC[C@H]3CCCO3)c(Cl)nc12 ZINC000004890456 170036250 /nfs/dbraw/zinc/03/62/50/170036250.db2.gz FDGBKQZAMYTEPR-CQSZACIVSA-N 0 3 290.794 3.465 40 0 CGABHN COc1cccc(C=O)c1OCCCN1CCCC[C@@H]1C ZINC000008731558 170351016 /nfs/dbraw/zinc/35/10/16/170351016.db2.gz YKTBDIHSLXXFHL-AWEZNQCLSA-N 0 3 291.391 3.151 40 0 CGABHN C[C@H]1CCCCN1Cc1ccc(N)cc1Br ZINC000037460438 173223838 /nfs/dbraw/zinc/22/38/38/173223838.db2.gz RPLBNZCOMMZAMU-JTQLQIEISA-N 0 3 283.213 3.406 40 0 CGABHN COc1ccc(Cc2cccc(C3CCN(C)CC3)n2)cc1 ZINC000072348577 176373671 /nfs/dbraw/zinc/37/36/71/176373671.db2.gz ZXTKWBKRWWLEIV-UHFFFAOYSA-N 0 3 296.414 3.490 40 0 CGABHN COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C)C3)n2)cc1 ZINC000072360688 176376646 /nfs/dbraw/zinc/37/66/46/176376646.db2.gz YVGKLLGSTHRTOV-OAHLLOKOSA-N 0 3 297.402 3.270 40 0 CGABHN c1cc2cc(CN3CCC[C@H](c4cnccn4)C3)ccc2[nH]1 ZINC000072364592 176379752 /nfs/dbraw/zinc/37/97/52/176379752.db2.gz GNKPJUXWPDXGKJ-INIZCTEOSA-N 0 3 292.386 3.338 40 0 CGABHN Cc1cc(C2CCN(Cc3ccncc3)CC2)ccn1 ZINC000072367928 176382175 /nfs/dbraw/zinc/38/21/75/176382175.db2.gz OTLPFJYMYYDTDU-UHFFFAOYSA-N 0 3 267.376 3.165 40 0 CGABHN CC(C)Nc1ncc(CNCCC2=CCCCC2)cn1 ZINC000062717646 262302496 /nfs/dbraw/zinc/30/24/96/262302496.db2.gz DOKLYNNAOBSTNO-UHFFFAOYSA-N 0 3 274.412 3.277 40 0 CGABHN CC(C)c1cccc2cc3c(nc21)O[C@@H](C)CNC3 ZINC000072392280 278058203 /nfs/dbraw/zinc/05/82/03/278058203.db2.gz PYZPRPQNPQJWPP-NSHDSACASA-N 0 3 256.349 3.229 40 0 CGABHN CCN1CCC[C@@H]1c1ccc(N2CCCC2)nc1C ZINC000072218911 279315521 /nfs/dbraw/zinc/31/55/21/279315521.db2.gz LPYWEABHKCGWAF-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1ccc(F)cc1 ZINC000079418787 280271474 /nfs/dbraw/zinc/27/14/74/280271474.db2.gz VRXDSLZUPNNUIR-WFASDCNBSA-N 0 3 280.387 3.107 40 0 CGABHN C[C@H]1CCC[C@H](C)N1CCOc1cccc(C=O)c1 ZINC000217788729 230396809 /nfs/dbraw/zinc/39/68/09/230396809.db2.gz ONBWXIDWHYEVNX-KBPBESRZSA-N 0 3 261.365 3.141 40 0 CGABHN Cc1ncsc1CN1CCC[C@H](c2nccs2)C1 ZINC000092788929 345858923 /nfs/dbraw/zinc/85/89/23/345858923.db2.gz GMBYRMQRHBPQFT-NSHDSACASA-N 0 3 279.434 3.288 40 0 CGABHN C[C@H]1CCCN([C@H](CN)c2ccccc2C(F)(F)F)C1 ZINC000108349984 345937685 /nfs/dbraw/zinc/93/76/85/345937685.db2.gz QXBLZPZKYKSHMT-SMDDNHRTSA-N 0 3 286.341 3.437 40 0 CGABHN CC(C)n1nccc1-c1cnc([C@H]2CCCN2C(C)C)cn1 ZINC000585180181 346725900 /nfs/dbraw/zinc/72/59/00/346725900.db2.gz SOLPRGJDLXJAAN-MRXNPFEDSA-N 0 3 299.422 3.466 40 0 CGABHN CCCN(CCN1CCCCC1)c1cc(C)ccn1 ZINC000001602383 368423566 /nfs/dbraw/zinc/42/35/66/368423566.db2.gz OHMRBDAEJLSXEC-UHFFFAOYSA-N 0 3 261.413 3.092 40 0 CGABHN CCN(CC)CCOC(=O)c1ccc(Cl)c(Cl)c1 ZINC000001730536 368436273 /nfs/dbraw/zinc/43/62/73/368436273.db2.gz XSFPUWLMPQCLHM-UHFFFAOYSA-N 0 3 290.190 3.492 40 0 CGABHN CN(C)[C@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001869857 368440080 /nfs/dbraw/zinc/44/00/80/368440080.db2.gz LBQGJHNNGUZLOH-ZWKOTPCHSA-N 0 3 295.382 3.461 40 0 CGABHN c1ccc2c(c1)cccc2-c1noc2c1CNCC2 ZINC000019200229 368745820 /nfs/dbraw/zinc/74/58/20/368745820.db2.gz CSMSPXQJAMFCDS-UHFFFAOYSA-N 0 3 250.301 3.141 40 0 CGABHN c1c2cccnc2[nH]c1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000019346925 368748426 /nfs/dbraw/zinc/74/84/26/368748426.db2.gz CRYNNRGKLFWLID-INIZCTEOSA-N 0 3 292.386 3.338 40 0 CGABHN Fc1cccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019293863 368748552 /nfs/dbraw/zinc/74/85/52/368748552.db2.gz QHYFKHXCSPBMPG-LESCRADOSA-N 0 3 288.410 3.132 40 0 CGABHN C[C@H]1C[C@H](C)CN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019462619 368754867 /nfs/dbraw/zinc/75/48/67/368754867.db2.gz OLCQIXXLUAVANR-KBPBESRZSA-N 0 3 282.391 3.017 40 0 CGABHN CCCOc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963776 368790378 /nfs/dbraw/zinc/79/03/78/368790378.db2.gz ZCGNYRHJIHICCJ-CZUORRHYSA-N 0 3 263.381 3.305 40 0 CGABHN COCCN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000020085576 368798051 /nfs/dbraw/zinc/79/80/51/368798051.db2.gz JKEQZKZJNOQGLM-ZDUSSCGKSA-N 0 3 251.370 3.018 40 0 CGABHN NCc1csc(-c2ccccc2Br)n1 ZINC000042289033 369210667 /nfs/dbraw/zinc/21/06/67/369210667.db2.gz ZZZQAZNPNXHCJN-UHFFFAOYSA-N 0 3 269.167 3.031 40 0 CGABHN Cc1ccc(CNC[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219120 369309990 /nfs/dbraw/zinc/30/99/90/369309990.db2.gz SZVYSTNFZQRGIP-CYBMUJFWSA-N 0 3 263.381 3.062 40 0 CGABHN Cc1ccc(CN2CCC[C@@]3(CCCC(=O)N3C)C2)s1 ZINC000096049962 370202709 /nfs/dbraw/zinc/20/27/09/370202709.db2.gz SCZRIBLMIQJVFJ-INIZCTEOSA-N 0 3 292.448 3.033 40 0 CGABHN CC1(c2cc[nH]n2)CCN(Cc2cccs2)CC1 ZINC000257252116 190020070 /nfs/dbraw/zinc/02/00/70/190020070.db2.gz JTPUEMLBVBJRRX-UHFFFAOYSA-N 0 3 261.394 3.025 40 0 CGABHN CCCc1ccc(CNCc2ccc(OC)cc2)[nH]1 ZINC000226020611 376338543 /nfs/dbraw/zinc/33/85/43/376338543.db2.gz NOLZFNOUSPPQEV-UHFFFAOYSA-N 0 3 258.365 3.266 40 0 CGABHN CCCOc1ccccc1[C@H](C)NCCCOC ZINC000225161216 376297453 /nfs/dbraw/zinc/29/74/53/376297453.db2.gz SHPWNBMXOQVBOD-ZDUSSCGKSA-N 0 3 251.370 3.163 40 0 CGABHN Cc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1 ZINC000095534168 392244237 /nfs/dbraw/zinc/24/42/37/392244237.db2.gz UIURUPKANJLEOX-OAHLLOKOSA-N 0 3 278.359 3.137 40 0 CGABHN COc1cccc(Cc2cccc([C@H]3CCCN(C)C3)n2)c1 ZINC000072348578 176373697 /nfs/dbraw/zinc/37/36/97/176373697.db2.gz HNUMUWSKTGCAPK-INIZCTEOSA-N 0 3 296.414 3.490 40 0 CGABHN CN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 ZINC000072359271 176376783 /nfs/dbraw/zinc/37/67/83/176376783.db2.gz DOMGWVUQDISTLD-UHFFFAOYSA-N 0 3 271.339 3.092 40 0 CGABHN C[C@@H]1CCC[C@H](C)N1CCOc1ccc(C=O)cc1 ZINC000217788328 262344437 /nfs/dbraw/zinc/34/44/37/262344437.db2.gz SBNDMMYUZXEZDP-OKILXGFUSA-N 0 3 261.365 3.141 40 0 CGABHN CN1CC=C(/C=C/C2=Cc3ccccc3OC2)CC1 ZINC000012154293 277022804 /nfs/dbraw/zinc/02/28/04/277022804.db2.gz RFWXVMMQLZUBFE-VOTSOKGWSA-N 0 3 253.345 3.281 40 0 CGABHN c1csc(CN2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000019346528 500689675 /nfs/dbraw/zinc/68/96/75/500689675.db2.gz WAZDBTVDUKJCQP-UHFFFAOYSA-N 0 3 298.415 3.399 40 0 CGABHN CN(C)CC[C@@H](O)c1ccc2c(c1)c1ccccc1n2C ZINC000005580122 230369646 /nfs/dbraw/zinc/36/96/46/230369646.db2.gz YNBJJYAOMKRVPO-GOSISDBHSA-N 0 3 282.387 3.317 40 0 CGABHN COc1ccc([C@@H]2CCCN2Cc2ccncc2)cc1 ZINC000078719454 345620111 /nfs/dbraw/zinc/62/01/11/345620111.db2.gz SCWQZZYVNQIZBK-KRWDZBQOSA-N 0 3 268.360 3.427 40 0 CGABHN C[C@H]1CCCN([C@H](CN)c2ccc(Cl)cc2)C1 ZINC000108018380 345936312 /nfs/dbraw/zinc/93/63/12/345936312.db2.gz NJLPFISAWFGTMU-SMDDNHRTSA-N 0 3 252.789 3.072 40 0 CGABHN CCC(=O)[C@](CCN(C)C)(c1ccccc1)c1ccccn1 ZINC000001675614 368430244 /nfs/dbraw/zinc/43/02/44/368430244.db2.gz ZNFQZULJEUVJDX-LJQANCHMSA-N 0 3 296.414 3.299 40 0 CGABHN CC(C)(C)OC(=O)N[C@@H](CN)c1ccc2ccccc2c1 ZINC000012357233 368609303 /nfs/dbraw/zinc/60/93/03/368609303.db2.gz PXZWEXYHJVPBJP-HNNXBMFYSA-N 0 3 286.375 3.364 40 0 CGABHN COc1cccc(CNCc2ccc3[nH]ccc3c2)c1 ZINC000015424156 368694505 /nfs/dbraw/zinc/69/45/05/368694505.db2.gz UGCNEENRJWKEAI-UHFFFAOYSA-N 0 3 266.344 3.466 40 0 CGABHN CN(C)CCOc1ccc(/C=C/c2ccccn2)cc1 ZINC000016931871 368722908 /nfs/dbraw/zinc/72/29/08/368722908.db2.gz MWPSXBFRULQESJ-RMKNXTFCSA-N 0 3 268.360 3.192 40 0 CGABHN O[C@]12CCCC[C@@H]1CN(CC1=Cc3ccccc3OC1)CC2 ZINC000019375134 368750420 /nfs/dbraw/zinc/75/04/20/368750420.db2.gz DRALRCCXSSHPOB-MJGOQNOKSA-N 0 3 299.414 3.089 40 0 CGABHN CCN(CC)CCNCc1ccc(Cl)cc1Cl ZINC000019919230 368784649 /nfs/dbraw/zinc/78/46/49/368784649.db2.gz UUQIIEOJHHZNSL-UHFFFAOYSA-N 0 3 275.223 3.425 40 0 CGABHN CCCOc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963774 368791051 /nfs/dbraw/zinc/79/10/51/368791051.db2.gz ZCGNYRHJIHICCJ-CJNGLKHVSA-N 0 3 263.381 3.305 40 0 CGABHN CCCOc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963775 368791110 /nfs/dbraw/zinc/79/11/10/368791110.db2.gz ZCGNYRHJIHICCJ-BBRMVZONSA-N 0 3 263.381 3.305 40 0 CGABHN CCCC[C@@H](CC)COC[C@@H](O)CNCc1ccccc1 ZINC000026897426 368865321 /nfs/dbraw/zinc/86/53/21/368865321.db2.gz FEKQTLCLFPIWFZ-AEFFLSMTSA-N 0 3 293.451 3.370 40 0 CGABHN C[C@@H]1CCCN([C@@H](CN)c2ccc(Cl)cc2)C1 ZINC000038860464 369147298 /nfs/dbraw/zinc/14/72/98/369147298.db2.gz NJLPFISAWFGTMU-RISCZKNCSA-N 0 3 252.789 3.072 40 0 CGABHN C[C@@H](NC[C@H](C)C(=O)OC(C)(C)C)c1ccccc1 ZINC000047219042 369309739 /nfs/dbraw/zinc/30/97/39/369309739.db2.gz KPIIVEYPTCQGJK-QWHCGFSZSA-N 0 3 263.381 3.315 40 0 CGABHN CC(C)N1CCC(O)(c2ccc(Cl)c(F)c2)CC1 ZINC000079030392 369960102 /nfs/dbraw/zinc/96/01/02/369960102.db2.gz QZYGZMOOFPQOLX-UHFFFAOYSA-N 0 3 271.763 3.171 40 0 CGABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCN3c2cccc(C)n2)o1 ZINC000306141130 374128387 /nfs/dbraw/zinc/12/83/87/374128387.db2.gz VLWWFIYDAHQFPC-IAGOWNOFSA-N 0 3 297.402 3.145 40 0 CGABHN Cc1cc(CC[C@H]2CCCN2Cc2cncs2)ccn1 ZINC000257217355 190013622 /nfs/dbraw/zinc/01/36/22/190013622.db2.gz CYPDQJUZGJJDOM-OAHLLOKOSA-N 0 3 287.432 3.444 40 0 CGABHN c1cc2ccc(CN3CCC(c4cnccn4)CC3)cc2[nH]1 ZINC000257301649 190030489 /nfs/dbraw/zinc/03/04/89/190030489.db2.gz RZGOXXBFSRGKAW-UHFFFAOYSA-N 0 3 292.386 3.338 40 0 CGABHN C[C@@H]1CCCN([C@H](CN)c2c(F)cccc2Cl)C1 ZINC000252140900 296400429 /nfs/dbraw/zinc/40/04/29/296400429.db2.gz MGGRPVFTHDOROX-ZWNOBZJWSA-N 0 3 270.779 3.211 40 0 CGABHN CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C)N ZINC000079420296 392220174 /nfs/dbraw/zinc/22/01/74/392220174.db2.gz HDRAMXIULIKMNK-VIFPVBQESA-N 0 3 289.206 3.078 40 0 CGABHN CCCCCCNCc1ccc(OC)cc1OC ZINC000007261046 170273851 /nfs/dbraw/zinc/27/38/51/170273851.db2.gz BRMZIRXNGVBFSK-UHFFFAOYSA-N 0 3 251.370 3.374 40 0 CGABHN CCCCCCNCc1cccc(OC)c1OC ZINC000007261074 170274056 /nfs/dbraw/zinc/27/40/56/170274056.db2.gz YMSGGDZNKXASJU-UHFFFAOYSA-N 0 3 251.370 3.374 40 0 CGABHN COc1cc(C=O)ccc1OCCCN1CCCCCC1 ZINC000008731498 170351128 /nfs/dbraw/zinc/35/11/28/170351128.db2.gz CRYGEDGHQIOYKE-UHFFFAOYSA-N 0 3 291.391 3.153 40 0 CGABHN CCN(CC)CCOC(=O)c1cc2cc(C)ccc2o1 ZINC000003066417 276099854 /nfs/dbraw/zinc/09/98/54/276099854.db2.gz HBWKTJNJEYJZHG-UHFFFAOYSA-N 0 3 275.348 3.240 40 0 CGABHN c1cc(CN2CC3(C2)CCN(Cc2ccsc2)C3)co1 ZINC000096046481 185071547 /nfs/dbraw/zinc/07/15/47/185071547.db2.gz JFPWUEKXJQDRAL-UHFFFAOYSA-N 0 3 288.416 3.049 40 0 CGABHN C[C@H]1CCCN([C@H](CN)c2cccc(Cl)c2)C1 ZINC000108018384 345936277 /nfs/dbraw/zinc/93/62/77/345936277.db2.gz AZSNIQWQHVUQLA-SMDDNHRTSA-N 0 3 252.789 3.072 40 0 CGABHN Cc1cn[nH]c1[C@H]1CCCCN1CCC(F)(F)F ZINC000205687432 346283118 /nfs/dbraw/zinc/28/31/18/346283118.db2.gz FWMVHDYBHYRDJX-SNVBAGLBSA-N 0 3 261.291 3.198 40 0 CGABHN C[C@@H](COCc1ccccc1)NCc1ccccc1 ZINC000001649103 368426339 /nfs/dbraw/zinc/42/63/39/368426339.db2.gz JFNYLCUFOQTHFC-HNNXBMFYSA-N 0 3 255.361 3.382 40 0 CGABHN O=C(CCN1CCCCC1)c1cccc(Cl)c1 ZINC000001701099 368433021 /nfs/dbraw/zinc/43/30/21/368433021.db2.gz KALXKAGOMISNSJ-UHFFFAOYSA-N 0 3 251.757 3.399 40 0 CGABHN CN(C)CCN(CCCc1ccccc1)Cc1ccncc1 ZINC000023247741 368818323 /nfs/dbraw/zinc/81/83/23/368818323.db2.gz IDFDQVGYNJCXIC-UHFFFAOYSA-N 0 3 297.446 3.078 40 0 CGABHN CCc1cccc2cc3c(nc21)O[C@H](CC)CNC3 ZINC000072392284 369817134 /nfs/dbraw/zinc/81/71/34/369817134.db2.gz RYKQXTGUCAASHC-CQSZACIVSA-N 0 3 256.349 3.058 40 0 CGABHN CN1CCC(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000074921005 369890496 /nfs/dbraw/zinc/89/04/96/369890496.db2.gz DCELVJVWQUPDNP-UHFFFAOYSA-N 0 3 266.772 3.010 40 0 CGABHN CCSc1ccc(C2(O)CCN(C(C)C)CC2)cc1 ZINC000079030425 369959963 /nfs/dbraw/zinc/95/99/63/369959963.db2.gz PLKIELKWNPEBHK-UHFFFAOYSA-N 0 3 279.449 3.490 40 0 CGABHN Cc1csc(-c2cc(C)nc([C@H]3CCCN(C)C3)n2)n1 ZINC000257202999 190010549 /nfs/dbraw/zinc/01/05/49/190010549.db2.gz AOFHXXGJUJOWAJ-LBPRGKRZSA-N 0 3 288.420 3.026 40 0 CGABHN CC(C)n1nccc1-c1cccc(C2CCN(C)CC2)n1 ZINC000257238971 190018082 /nfs/dbraw/zinc/01/80/82/190018082.db2.gz HNHUTXLIXZRTJR-UHFFFAOYSA-N 0 3 284.407 3.335 40 0 CGABHN CCn1cc(CN2CCC[C@H](c3nccs3)C2)c(C)n1 ZINC000257295024 190028490 /nfs/dbraw/zinc/02/84/90/190028490.db2.gz QWPZATUHZIXLPS-ZDUSSCGKSA-N 0 3 290.436 3.048 40 0 CGABHN COc1cccc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)c1 ZINC000257331530 190035485 /nfs/dbraw/zinc/03/54/85/190035485.db2.gz XTGSHSGLMCFGEM-HNNXBMFYSA-N 0 3 285.391 3.106 40 0 CGABHN CN(C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 ZINC000072212586 256714368 /nfs/dbraw/zinc/71/43/68/256714368.db2.gz GZXVSISFDHLQFZ-QGZVFWFLSA-N 0 3 281.403 3.485 40 0 CGABHN CCCN1CCCC[C@H]1c1ccc(N(C)CC)nc1 ZINC000072212735 392198734 /nfs/dbraw/zinc/19/87/34/392198734.db2.gz DPIXXTIBCUTEJG-HNNXBMFYSA-N 0 3 261.413 3.475 40 0 CGABHN CCN(CC)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072212895 392198815 /nfs/dbraw/zinc/19/88/15/392198815.db2.gz DNEUAWBGKJIOIR-HNNXBMFYSA-N 0 3 261.413 3.473 40 0 CGABHN CN1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214304 392198933 /nfs/dbraw/zinc/19/89/33/392198933.db2.gz AKLMETJRMVBGSA-GFCCVEGCSA-N 0 3 277.368 3.195 40 0 CGABHN COC(=O)/C(=C/c1ccc(Cl)cc1)CN1CCCCC1 ZINC000006482053 170204695 /nfs/dbraw/zinc/20/46/95/170204695.db2.gz KDNZTTATNGKRIP-SDNWHVSQSA-N 0 3 293.794 3.382 40 0 CGABHN COCCNCc1ccccc1OCc1ccccc1 ZINC000008469249 170336820 /nfs/dbraw/zinc/33/68/20/170336820.db2.gz QDFKSBYXWIWJFW-UHFFFAOYSA-N 0 3 271.360 3.002 40 0 CGABHN C[C@@H]1CCCN([C@H](CN)c2ccc(Br)cc2)C1 ZINC000252111048 287359403 /nfs/dbraw/zinc/35/94/03/287359403.db2.gz HTUFBLYJYHUCRK-BXUZGUMPSA-N 0 3 297.240 3.181 40 0 CGABHN CN(C)C[C@@H](O)c1ccc2c(c1)oc1ccccc12 ZINC000006437158 276795279 /nfs/dbraw/zinc/79/52/79/276795279.db2.gz PFCIEYMQAXGJCE-CQSZACIVSA-N 0 3 255.317 3.181 40 0 CGABHN CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1 ZINC000072214511 288873940 /nfs/dbraw/zinc/87/39/40/288873940.db2.gz ZXMMYQUKBRXGTN-CYBMUJFWSA-N 0 3 291.395 3.268 40 0 CGABHN NCc1cnc(-c2ccccc2)cc1C(F)(F)F ZINC000083251471 178369210 /nfs/dbraw/zinc/36/92/10/178369210.db2.gz SYRQNZIWEMDZDB-UHFFFAOYSA-N 0 3 252.239 3.226 40 0 CGABHN CC[C@H](C)[C@@H](C(OC)OC)N(C)Cc1ccccc1 ZINC000035994528 344943493 /nfs/dbraw/zinc/94/34/93/344943493.db2.gz GYOWFCNRTAPUGL-ZFWWWQNUSA-N 0 3 265.397 3.152 40 0 CGABHN CN(C)CCN(Cc1ccc(Cl)s1)c1ccccn1 ZINC000000001128 368270070 /nfs/dbraw/zinc/27/00/70/368270070.db2.gz XAEXSWVTEJHRMH-UHFFFAOYSA-N 0 3 295.839 3.365 40 0 in-man CGABHN CCN(C(=O)CNCC(C)C)c1ccc(C)c(Cl)c1 ZINC000001669876 368428677 /nfs/dbraw/zinc/42/86/77/368428677.db2.gz NFQAKLPPCQITRZ-UHFFFAOYSA-N 0 3 282.815 3.247 40 0 CGABHN CC(C)Oc1ccc(C(=O)OCCN2CCC[C@@H]2C)cc1 ZINC000001712556 368433989 /nfs/dbraw/zinc/43/39/89/368433989.db2.gz LZLUDVCQIWQCNH-AWEZNQCLSA-N 0 3 291.391 3.115 40 0 CGABHN CCCOc1ccc(C(=O)CCN(CC)CC)cc1 ZINC000002765495 368476757 /nfs/dbraw/zinc/47/67/57/368476757.db2.gz UXHYNACQSORNAW-UHFFFAOYSA-N 0 3 263.381 3.390 40 0 CGABHN Cc1ccccc1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000016758608 368720763 /nfs/dbraw/zinc/72/07/63/368720763.db2.gz VGIPEGOQFNUFNF-DOTOQJQBSA-N 0 3 285.387 3.086 40 0 CGABHN CC(C)(C)c1ccc2nc3c(cc2c1)CNCCO3 ZINC000019084582 368743950 /nfs/dbraw/zinc/74/39/50/368743950.db2.gz BXJALJFSERGCLT-UHFFFAOYSA-N 0 3 256.349 3.014 40 0 CGABHN CC(C)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000027932543 368877839 /nfs/dbraw/zinc/87/78/39/368877839.db2.gz USRTXBVXDNGOSD-MRXNPFEDSA-N 0 3 287.407 3.122 40 0 CGABHN C[C@@H](CN[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000047219040 369309891 /nfs/dbraw/zinc/30/98/91/369309891.db2.gz KPIIVEYPTCQGJK-STQMWFEESA-N 0 3 263.381 3.315 40 0 CGABHN CN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358360 369817889 /nfs/dbraw/zinc/81/78/89/369817889.db2.gz IQZMCBJYRVGMQV-ZDUSSCGKSA-N 0 3 271.339 3.092 40 0 CGABHN CNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C)n1 ZINC000329070352 374399721 /nfs/dbraw/zinc/39/97/21/374399721.db2.gz ZGJAKJRFCYLVAF-UHFFFAOYSA-N 0 3 288.782 3.043 40 0 CGABHN c1ccc2ncc(CC3CCN([C@H]4CCOC4)CC3)cc2c1 ZINC000257230968 190016524 /nfs/dbraw/zinc/01/65/24/190016524.db2.gz GEQZLDFMYUGDJU-SFHVURJKSA-N 0 3 296.414 3.278 40 0 CGABHN COc1ccc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257344963 190037558 /nfs/dbraw/zinc/03/75/58/190037558.db2.gz ZZKAEHWQAFGZPN-HNNXBMFYSA-N 0 3 285.391 3.106 40 0 CGABHN CCCCOc1ccccc1[C@@H](C)NCCOC ZINC000225160698 376297184 /nfs/dbraw/zinc/29/71/84/376297184.db2.gz JFELRCZDELFMCJ-CYBMUJFWSA-N 0 3 251.370 3.163 40 0 CGABHN c1coc(CN2CCC[C@H]2COc2ccccc2)c1 ZINC000093364482 249037481 /nfs/dbraw/zinc/03/74/81/249037481.db2.gz ROPNNEVXLIBHMH-AWEZNQCLSA-N 0 3 257.333 3.323 40 0 CGABHN CCN1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216093 285262088 /nfs/dbraw/zinc/26/20/88/285262088.db2.gz LDIARBLEWKFEPN-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN CCc1nc(NN)c2c(n1)-c1ccccc1CC21CCCC1 ZINC000000295394 391907919 /nfs/dbraw/zinc/90/79/19/391907919.db2.gz YQWJUOJXRDDHEO-UHFFFAOYSA-N 0 3 294.402 3.360 40 0 CGABHN CCOC(=O)c1[nH]c2ccccc2c1[C@@H](N)c1ccccc1 ZINC000004202852 391918472 /nfs/dbraw/zinc/91/84/72/391918472.db2.gz WZNIJQBJCYBLMH-INIZCTEOSA-N 0 3 294.354 3.393 40 0 CGABHN CN1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214303 392198533 /nfs/dbraw/zinc/19/85/33/392198533.db2.gz AKLMETJRMVBGSA-LBPRGKRZSA-N 0 3 277.368 3.195 40 0 CGABHN Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N ZINC000072218430 392200281 /nfs/dbraw/zinc/20/02/81/392200281.db2.gz BGPKIXQFKWCCHE-MRXNPFEDSA-N 0 3 267.376 3.309 40 0 CGABHN CCN(CC)c1cc(C)c([C@@H](N)c2ccccc2)cn1 ZINC000072223271 392203202 /nfs/dbraw/zinc/20/32/02/392203202.db2.gz XHMNXPNRNLCBML-KRWDZBQOSA-N 0 3 269.392 3.284 40 0 CGABHN C[C@@H](N)c1cc2ccccc2n1C(=O)OC(C)(C)C ZINC000096509780 392256380 /nfs/dbraw/zinc/25/63/80/392256380.db2.gz GATBGTUXYHUJOS-SNVBAGLBSA-N 0 3 260.337 3.444 40 0 CGABHN CCCCC[C@@H](C)NCC(=O)Nc1ccccc1C ZINC000005973287 170164191 /nfs/dbraw/zinc/16/41/91/170164191.db2.gz DUFLNWUSGJBRFK-CQSZACIVSA-N 0 3 262.397 3.492 40 0 CGABHN CC(C)N1CC2(CCN(C)CC2)c2cc(F)ccc21 ZINC000096261809 275625650 /nfs/dbraw/zinc/62/56/50/275625650.db2.gz XPEMRCPIMDNJAU-UHFFFAOYSA-N 0 3 262.372 3.018 40 0 CGABHN CN1CC[C@H](c2nc3cc(C(F)(F)F)ccc3[nH]2)C1 ZINC000049169091 277173890 /nfs/dbraw/zinc/17/38/90/277173890.db2.gz LWJGGVGLWDLQIK-QMMMGPOBSA-N 0 3 269.270 3.001 40 0 biogenic,in-vitro CGABHN CC(C)(C)OC(=O)n1c2ccccc2cc1C1(N)CC1 ZINC000575629331 570350466 /nfs/dbraw/zinc/35/04/66/570350466.db2.gz QPMMPFQXJSAYOV-UHFFFAOYSA-N 0 3 272.348 3.372 40 0 CGABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000095534089 185006625 /nfs/dbraw/zinc/00/66/25/185006625.db2.gz PLTLIKHGUSDFCQ-CQSZACIVSA-N 0 3 298.777 3.482 40 0 CGABHN Fc1ccccc1CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019349155 368748400 /nfs/dbraw/zinc/74/84/00/368748400.db2.gz PINDRGIBDITAQC-DAYGRLMNSA-N 0 3 288.410 3.132 40 0 CGABHN O=Cc1cccc(OCCCN2CCCCCC2)c1 ZINC000033421443 368964220 /nfs/dbraw/zinc/96/42/20/368964220.db2.gz MDGMVQAZFGFPIL-UHFFFAOYSA-N 0 3 261.365 3.144 40 0 CGABHN CC(C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000035818582 369005056 /nfs/dbraw/zinc/00/50/56/369005056.db2.gz XVCRKNWXXKFTGL-UHFFFAOYSA-N 0 3 274.408 3.057 40 0 CGABHN Cc1nnc([C@H]2CCN(Cc3ccc(Cl)cc3)C2)o1 ZINC000049169173 369391230 /nfs/dbraw/zinc/39/12/30/369391230.db2.gz TVNJNNBPRBWNLQ-LBPRGKRZSA-N 0 3 277.755 3.021 40 0 biogenic,in-vitro CGABHN CC(C)[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096073251 370204023 /nfs/dbraw/zinc/20/40/23/370204023.db2.gz GBJPLBMBBLKMJF-HNNXBMFYSA-N 0 3 263.381 3.307 40 0 CGABHN COc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1 ZINC000199425372 376123593 /nfs/dbraw/zinc/12/35/93/376123593.db2.gz YEISFTKGOCZGDQ-UHFFFAOYSA-N 0 3 298.430 3.259 40 0 CGABHN C[C@@H]1CCCN([C@H](CN)c2cccc(Cl)c2)C1 ZINC000251580371 377589146 /nfs/dbraw/zinc/58/91/46/377589146.db2.gz AZSNIQWQHVUQLA-BXUZGUMPSA-N 0 3 252.789 3.072 40 0 CGABHN Cc1c[nH]c([C@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000257330723 377795164 /nfs/dbraw/zinc/79/51/64/377795164.db2.gz XPPWJNYWVFTHQZ-ZDUSSCGKSA-N 0 3 261.394 3.159 40 0 CGABHN NCc1cc2cc(Br)ccc2nc1Cl ZINC000259304528 542354970 /nfs/dbraw/zinc/35/49/70/542354970.db2.gz JPNWFSWNKOAXGD-UHFFFAOYSA-N 0 3 271.545 3.109 40 0 CGABHN CC(C)(C)Nc1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225839 392204866 /nfs/dbraw/zinc/20/48/66/392204866.db2.gz LPQROALEPDPHEO-OAHLLOKOSA-N 0 3 255.365 3.340 40 0 CGABHN CCCCCCNCc1cc(OC)c(OC)cc1OC ZINC000007260984 170273712 /nfs/dbraw/zinc/27/37/12/170273712.db2.gz IYKIQZJXDJCDRF-UHFFFAOYSA-N 0 3 281.396 3.382 40 0 CGABHN CC[C@H]1CCCCN1CCOc1ccccc1C=O ZINC000020131615 171020160 /nfs/dbraw/zinc/02/01/60/171020160.db2.gz GMQXTQDCFHLWPU-HNNXBMFYSA-N 0 3 261.365 3.142 40 0 CGABHN C/C(=C\c1ccccc1)CN1CC[C@@H](c2nccn2C)C1 ZINC000367704556 527534958 /nfs/dbraw/zinc/53/49/58/527534958.db2.gz OXLUPQOMIPTFBA-OKACTXMXSA-N 0 3 281.403 3.313 40 0 CGABHN CO[C@@H]1CCN(Cc2ccoc2)C[C@@H]1Cc1ccccc1 ZINC000096110150 185101033 /nfs/dbraw/zinc/10/10/33/185101033.db2.gz VYVTZSODRBQMKQ-ZWKOTPCHSA-N 0 3 285.387 3.359 40 0 CGABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cccs2)C1 ZINC000205674126 346283148 /nfs/dbraw/zinc/28/31/48/346283148.db2.gz HMSDKEHUNWRCTA-LBPRGKRZSA-N 0 3 261.394 3.159 40 0 CGABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cccs2)C1 ZINC000205674110 346283293 /nfs/dbraw/zinc/28/32/93/346283293.db2.gz HMSDKEHUNWRCTA-GFCCVEGCSA-N 0 3 261.394 3.159 40 0 CGABHN CCOCC[C@H]1CCOC12CCN(Cc1ccoc1)CC2 ZINC000585105461 346724639 /nfs/dbraw/zinc/72/46/39/346724639.db2.gz WZTQUGOLEUZFIO-INIZCTEOSA-N 0 3 293.407 3.077 40 0 CGABHN C[C@H](CNCc1ccc(Cl)cc1)C(=O)OC(C)(C)C ZINC000047219127 369310002 /nfs/dbraw/zinc/31/00/02/369310002.db2.gz ZACBLEWJXRHYNE-LLVKDONJSA-N 0 3 283.799 3.407 40 0 CGABHN CCc1ccc2c(C3CN(CC4CCC4)C3)ncn2c1 ZINC000096260730 370209494 /nfs/dbraw/zinc/20/94/94/370209494.db2.gz KKKZERJMJHBMOK-UHFFFAOYSA-N 0 3 269.392 3.096 40 0 CGABHN CC[C@@H](C)n1nccc1CNCCc1ccccc1 ZINC000256052063 190004511 /nfs/dbraw/zinc/00/45/11/190004511.db2.gz LTEYPURNYYQATD-CQSZACIVSA-N 0 3 257.381 3.186 40 0 CGABHN CN1CCC[C@@H](c2cnc(Cc3ccccc3F)cn2)C1 ZINC000257209484 190012188 /nfs/dbraw/zinc/01/21/88/190012188.db2.gz BQOSWEDZBDVRFO-CQSZACIVSA-N 0 3 285.366 3.016 40 0 CGABHN CCOCCCNCc1cc2cccc(CC)c2[nH]c1=O ZINC000257220756 190014635 /nfs/dbraw/zinc/01/46/35/190014635.db2.gz DMAAEURFYMBLOE-UHFFFAOYSA-N 0 3 288.391 3.019 40 0 CGABHN COCCNCc1cc(C)n(C2CCCCC2)c1C ZINC000223677029 376259117 /nfs/dbraw/zinc/25/91/17/376259117.db2.gz UESOIQPQZXSYNR-UHFFFAOYSA-N 0 3 264.413 3.346 40 0 CGABHN CC(C)[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000225205466 376298847 /nfs/dbraw/zinc/29/88/47/376298847.db2.gz JHQDKDMQLDRIKF-HNNXBMFYSA-N 0 3 288.435 3.447 40 0 CGABHN Nc1ncccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072212443 392197628 /nfs/dbraw/zinc/19/76/28/392197628.db2.gz QYOUQLLGDDWKAA-INIZCTEOSA-N 0 3 267.376 3.391 40 0 CGABHN CN1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1 ZINC000072216627 392200668 /nfs/dbraw/zinc/20/06/68/392200668.db2.gz FFRHSDIQUKSPAE-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN Cc1cc([C@H](N)c2ccccc2)cnc1Br ZINC000072221924 392201846 /nfs/dbraw/zinc/20/18/46/392201846.db2.gz LXTHAIGPIADPJN-GFCCVEGCSA-N 0 3 277.165 3.201 40 0 CGABHN Cc1nc(N2CCCC2)ccc1[C@H](N)c1ccccc1 ZINC000072224527 392204334 /nfs/dbraw/zinc/20/43/34/392204334.db2.gz DBDUYVHONBSTTL-QGZVFWFLSA-N 0 3 267.376 3.038 40 0 CGABHN CCOc1c(Cl)cc(Cl)cc1CN[C@@H](CC)CO ZINC000008326305 170331238 /nfs/dbraw/zinc/33/12/38/170331238.db2.gz UTDIICDUBHHJJG-NSHDSACASA-N 0 3 292.206 3.253 40 0 CGABHN c1c([C@@H]2CCCCCN2)noc1-c1ccc2c(c1)OCO2 ZINC000019346361 170776225 /nfs/dbraw/zinc/77/62/25/170776225.db2.gz DRZXMKVBTJXTMR-LBPRGKRZSA-N 0 3 286.331 3.275 40 0 CGABHN CC[C@](CO)(NCc1ccccc1)c1ccccc1 ZINC000038110850 174122685 /nfs/dbraw/zinc/12/26/85/174122685.db2.gz YUWOWSIPHMTMCC-QGZVFWFLSA-N 0 3 255.361 3.074 40 0 in-vitro CGABHN CC(C)N1CCC(O)(c2cccc(Cl)c2)CC1 ZINC000044568337 175209166 /nfs/dbraw/zinc/20/91/66/175209166.db2.gz JFYPKBIFWSYDTK-UHFFFAOYSA-N 0 3 253.773 3.032 40 0 CGABHN Cc1cccc(-c2nccnc2[C@H]2CCCN(C)C2)c1 ZINC000072358359 176376470 /nfs/dbraw/zinc/37/64/70/176376470.db2.gz RYBIMNTZYSXCTF-HNNXBMFYSA-N 0 3 267.376 3.261 40 0 CGABHN c1cc2cc(CN3CCC[C@@H](c4cnccn4)C3)ccc2[nH]1 ZINC000072364593 176379587 /nfs/dbraw/zinc/37/95/87/176379587.db2.gz GNKPJUXWPDXGKJ-MRXNPFEDSA-N 0 3 292.386 3.338 40 0 CGABHN Cc1ccc(-c2nc([C@H](N)c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000095534026 185006778 /nfs/dbraw/zinc/00/67/78/185006778.db2.gz QKPXKNIWLGWKPT-CQSZACIVSA-N 0 3 298.777 3.482 40 0 CGABHN c1ccc(CN2C[C@H]3CCC[C@@]3(COCC3CC3)C2)nc1 ZINC000096109182 185099326 /nfs/dbraw/zinc/09/93/26/185099326.db2.gz UYNBIOWVHNSPRC-AEFFLSMTSA-N 0 3 286.419 3.110 40 0 CGABHN CC(C)Oc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 ZINC000127955440 187343303 /nfs/dbraw/zinc/34/33/03/187343303.db2.gz GJMYPHGIPZDABU-BBRMVZONSA-N 0 3 263.381 3.303 40 0 CGABHN Cc1ccc(CN(C)C)c([C@H](O)c2ccccc2)c1 ZINC000001662367 368428026 /nfs/dbraw/zinc/42/80/26/368428026.db2.gz HNFLYAXDXOQHQS-QGZVFWFLSA-N 0 3 255.361 3.138 40 0 CGABHN CCN(CC)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000001672756 368429952 /nfs/dbraw/zinc/42/99/52/368429952.db2.gz WQYKRGOOOWDXBD-LLVKDONJSA-N 0 3 268.788 3.317 40 0 CGABHN c1ccc(CCN2CCN(CCc3ccccc3)CC2)cc1 ZINC000019365520 368750470 /nfs/dbraw/zinc/75/04/70/368750470.db2.gz NFYAOGOHUGRGIX-UHFFFAOYSA-N 0 3 294.442 3.089 40 0 CGABHN CC(C)Oc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963778 368791161 /nfs/dbraw/zinc/79/11/61/368791161.db2.gz WWLXASZDMMYFBT-CJNGLKHVSA-N 0 3 263.381 3.303 40 0 CGABHN CN(C)C1(c2cccc(Cl)c2)CCC(=O)CC1 ZINC000027427676 368871424 /nfs/dbraw/zinc/87/14/24/368871424.db2.gz RYIXLNLJRGYTQM-UHFFFAOYSA-N 0 3 251.757 3.240 40 0 CGABHN Fc1ccccc1CNCCCc1nc2ccccc2[nH]1 ZINC000062718663 369630347 /nfs/dbraw/zinc/63/03/47/369630347.db2.gz ZDROHNBEEXJRKC-UHFFFAOYSA-N 0 3 283.350 3.424 40 0 CGABHN CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C)n1 ZINC000328964320 374398255 /nfs/dbraw/zinc/39/82/55/374398255.db2.gz BUQSIXIIRGIZBV-UHFFFAOYSA-N 0 3 282.391 3.125 40 0 CGABHN Cc1csc(-c2cc(C)nc([C@@H]3CCCN(C)C3)n2)n1 ZINC000257202998 190010832 /nfs/dbraw/zinc/01/08/32/190010832.db2.gz AOFHXXGJUJOWAJ-GFCCVEGCSA-N 0 3 288.420 3.026 40 0 CGABHN Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257201139 190011062 /nfs/dbraw/zinc/01/10/62/190011062.db2.gz AGLRBVCBPOVSHF-INIZCTEOSA-N 0 3 267.376 3.165 40 0 CGABHN Cc1cc(CC[C@H]2CCCN2Cc2ccccn2)ccn1 ZINC000257204188 190011213 /nfs/dbraw/zinc/01/12/13/190011213.db2.gz ATLCTGFJFXGTOW-GOSISDBHSA-N 0 3 281.403 3.382 40 0 CGABHN CN1CCC(c2cccc(-n3cnc4ccccc43)n2)CC1 ZINC000257234699 190017167 /nfs/dbraw/zinc/01/71/67/190017167.db2.gz GUSWEXCUFTZKCK-UHFFFAOYSA-N 0 3 292.386 3.230 40 0 CGABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1scnc1C ZINC000257253145 190020694 /nfs/dbraw/zinc/02/06/94/190020694.db2.gz JXSVUVUCAFQNSB-GFCCVEGCSA-N 0 3 276.409 3.210 40 0 CGABHN C[C@@H]1CCCN([C@H](CN)c2ccccc2Br)C1 ZINC000252113169 377615129 /nfs/dbraw/zinc/61/51/29/377615129.db2.gz IBLBHSHLRDRWHD-BXUZGUMPSA-N 0 3 297.240 3.181 40 0 CGABHN CN(C)CC[C@@](O)(CCc1ccccc1)c1ccccc1 ZINC000000084963 391905331 /nfs/dbraw/zinc/90/53/31/391905331.db2.gz HXLXJOODQVGSCM-IBGZPJMESA-N 0 3 283.415 3.459 40 0 CGABHN CC(C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220576 391954727 /nfs/dbraw/zinc/95/47/27/391954727.db2.gz KYYGBOLBXWBOAP-AWEZNQCLSA-N 0 3 294.826 3.077 40 0 CGABHN CN[C@H](c1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000072207636 392196286 /nfs/dbraw/zinc/19/62/86/392196286.db2.gz LVCAAGRDHHKLEF-LSDHHAIUSA-N 0 3 292.423 3.496 40 0 CGABHN CCCNc1cc(C)c([C@@H](N)c2ccccc2)cn1 ZINC000072223218 392203013 /nfs/dbraw/zinc/20/30/13/392203013.db2.gz SBFZCJINXCLZQL-INIZCTEOSA-N 0 3 255.365 3.260 40 0 CGABHN CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)n1 ZINC000329055335 392677505 /nfs/dbraw/zinc/67/75/05/392677505.db2.gz VMUMHVSQNCFUKG-LBPRGKRZSA-N 0 3 282.391 3.168 40 0 CGABHN CCOC(=O)C[C@@H](NC1CC1)c1ccc(Cl)cc1 ZINC000072210283 397640604 /nfs/dbraw/zinc/64/06/04/397640604.db2.gz CXITWRHUFOVUTP-CYBMUJFWSA-N 0 3 267.756 3.086 40 0 CGABHN COCCN(C)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777726 170015582 /nfs/dbraw/zinc/01/55/82/170015582.db2.gz HSDWGNMSFYTZSY-ZWKOTPCHSA-N 0 3 285.387 3.040 40 0 CGABHN CCOc1ccc2ccccc2c1CN[C@H](CC)CO ZINC000008326989 170331461 /nfs/dbraw/zinc/33/14/61/170331461.db2.gz LGBMXXYLZSUWRI-CQSZACIVSA-N 0 3 273.376 3.099 40 0 CGABHN O=Cc1ccccc1OCCCN1CCCCCC1 ZINC000008731497 170351359 /nfs/dbraw/zinc/35/13/59/170351359.db2.gz AXGZYVFRTUCCJX-UHFFFAOYSA-N 0 3 261.365 3.144 40 0 CGABHN NC[C@@H](c1cc(Cl)cc(Cl)c1)N1CCCCC1 ZINC000037424783 173198882 /nfs/dbraw/zinc/19/88/82/173198882.db2.gz DXKINZKWOBCHAU-ZDUSSCGKSA-N 0 3 273.207 3.479 40 0 CGABHN COc1ccccc1Cc1cccc([C@H]2CCCN(C)C2)n1 ZINC000072348581 176373956 /nfs/dbraw/zinc/37/39/56/176373956.db2.gz UOHOXRMVAHSSJA-INIZCTEOSA-N 0 3 296.414 3.490 40 0 CGABHN CC(C)N(Cc1nnc(-c2ccccc2)o1)C(C)C ZINC000015922176 275623611 /nfs/dbraw/zinc/62/36/11/275623611.db2.gz DKUUONCXLBPOOQ-UHFFFAOYSA-N 0 3 259.353 3.355 40 0 CGABHN CC1CCN([C@H](CN)c2c(F)cccc2Cl)CC1 ZINC000038785093 281835636 /nfs/dbraw/zinc/83/56/36/281835636.db2.gz VZDWPHJXVDXACN-CYBMUJFWSA-N 0 3 270.779 3.211 40 0 CGABHN Cc1ccc([C@@H]2SC(=N)N[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000253566006 334438826 /nfs/dbraw/zinc/43/88/26/334438826.db2.gz ILDUQMPCSDTLHJ-PMPSAXMXSA-N 0 3 298.411 3.200 40 0 CGABHN C[C@@H]1CCC[C@@H](C)N1CCOc1ccccc1C=O ZINC000217788861 533739343 /nfs/dbraw/zinc/73/93/43/533739343.db2.gz LLYHIUZFISPJLE-ZIAGYGMSSA-N 0 3 261.365 3.141 40 0 CGABHN CN1CC[C@@H]2[C@@H](C1)c1ccccc1N2Cc1ccccc1 ZINC000059229689 345206594 /nfs/dbraw/zinc/20/65/94/345206594.db2.gz OFPJOWXBDHSDOQ-PKOBYXMFSA-N 0 3 278.399 3.495 40 0 CGABHN Cc1cn[nH]c1[C@@H]1CCCCN1CCC(F)(F)F ZINC000205687421 346283157 /nfs/dbraw/zinc/28/31/57/346283157.db2.gz FWMVHDYBHYRDJX-JTQLQIEISA-N 0 3 261.291 3.198 40 0 CGABHN CN(C)c1ccc2c(c1)S[C@@H]1CC(=N)CC[C@@H]1N2 ZINC000604940884 348138897 /nfs/dbraw/zinc/13/88/97/348138897.db2.gz AVOGIHRAPDCQKW-WCQYABFASA-N 0 3 261.394 3.211 40 0 CGABHN c1cc([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000124005164 187118346 /nfs/dbraw/zinc/11/83/46/187118346.db2.gz PWJBYTIHVANWKO-HNNXBMFYSA-N 0 3 292.386 3.338 40 0 CGABHN CCN(CC)CCOC(=O)Cc1csc2ccccc12 ZINC000001561924 368417531 /nfs/dbraw/zinc/41/75/31/368417531.db2.gz QLXAWNSDJDXYIK-UHFFFAOYSA-N 0 3 291.416 3.329 40 0 CGABHN CC1=C[C@@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCC3)O2)[C@H](C)C1 ZINC000004094087 368529449 /nfs/dbraw/zinc/52/94/49/368529449.db2.gz FTLAMGAOAHIHBM-UHDSXZAQSA-N 0 3 279.424 3.062 40 0 CGABHN COc1cc2c(cc1OC)[C@@H](CC(C)C)N(C)CC2 ZINC000003848582 368520743 /nfs/dbraw/zinc/52/07/43/368520743.db2.gz XLYGKISSKFHOEE-CQSZACIVSA-N 0 3 263.381 3.279 40 0 CGABHN CCc1ccc(C(=O)N[C@H](C)CN2CCCCCC2)s1 ZINC000019522933 368756271 /nfs/dbraw/zinc/75/62/71/368756271.db2.gz BKTBBAFBSNTELW-CYBMUJFWSA-N 0 3 294.464 3.305 40 0 CGABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212680 369816331 /nfs/dbraw/zinc/81/63/31/369816331.db2.gz HOLWNCOTOWYOMR-OAHLLOKOSA-N 0 3 261.413 3.475 40 0 CGABHN CN1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000074713454 369886360 /nfs/dbraw/zinc/88/63/60/369886360.db2.gz TTZCJCRNEULVTE-UHFFFAOYSA-N 0 3 287.190 3.274 40 0 CGABHN CN1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000174462940 373321482 /nfs/dbraw/zinc/32/14/82/373321482.db2.gz XPWQQCGWCGOQQG-UHFFFAOYSA-N 0 3 268.360 3.120 40 0 CGABHN Cc1ncsc1CN1CCC(C)(c2nccs2)CC1 ZINC000257243178 190018800 /nfs/dbraw/zinc/01/88/00/190018800.db2.gz IFTGKOQYWRXHNX-UHFFFAOYSA-N 0 3 293.461 3.462 40 0 CGABHN CN1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257285609 190027111 /nfs/dbraw/zinc/02/71/11/190027111.db2.gz PHYJMFMVFXFBBZ-CYBMUJFWSA-N 0 3 274.339 3.214 40 0 CGABHN Cc1nc([C@H]2CCN(Cc3cccnc3)C2)c2sccn12 ZINC000257273690 190024623 /nfs/dbraw/zinc/02/46/23/190024623.db2.gz NHSOPIXBCDZTDO-AWEZNQCLSA-N 0 3 298.415 3.089 40 0 CGABHN Cc1nc2ccc(Br)cc2c(N)c1C ZINC000050870892 392067295 /nfs/dbraw/zinc/06/72/95/392067295.db2.gz VVJFMLGNXNMKCH-UHFFFAOYSA-N 0 3 251.127 3.196 40 0 CGABHN CC(C)N1CCC(O)(c2ccc(Cl)s2)CC1 ZINC000084193679 397641019 /nfs/dbraw/zinc/64/10/19/397641019.db2.gz RBQDCTYBHVNUTR-UHFFFAOYSA-N 0 3 259.802 3.093 40 0 CGABHN CC(C)Oc1ccc(C(=O)OCCN2CCC[C@H]2C)cc1 ZINC000004416819 169966973 /nfs/dbraw/zinc/96/69/73/169966973.db2.gz LZLUDVCQIWQCNH-CQSZACIVSA-N 0 3 291.391 3.115 40 0 CGABHN OCC1(Nc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000005589604 170116785 /nfs/dbraw/zinc/11/67/85/170116785.db2.gz WTOYUGZUPNQZHG-UHFFFAOYSA-N 0 3 296.414 3.126 40 0 in-vitro CGABHN COc1ccc([C@@H](O)CN2CCCCC2)c2c1CCCC2 ZINC000006484091 170205018 /nfs/dbraw/zinc/20/50/18/170205018.db2.gz YLJPRVSNUIQZAV-KRWDZBQOSA-N 0 3 289.419 3.093 40 0 CGABHN C[C@H]1CCCN([C@@H](CN)c2cccc(Cl)c2)C1 ZINC000022168424 171366647 /nfs/dbraw/zinc/36/66/47/171366647.db2.gz AZSNIQWQHVUQLA-FZMZJTMJSA-N 0 3 252.789 3.072 40 0 CGABHN COc1ccc(-c2cc(C)nc([C@H]3CCCN(C)C3)n2)cc1 ZINC000072360689 176376977 /nfs/dbraw/zinc/37/69/77/176376977.db2.gz YVGKLLGSTHRTOV-HNNXBMFYSA-N 0 3 297.402 3.270 40 0 CGABHN Cc1cccnc1Nc1nc(C2CCN(C)CC2)cs1 ZINC000072367707 176382144 /nfs/dbraw/zinc/38/21/44/176382144.db2.gz FNMAAEGZRQJHAD-UHFFFAOYSA-N 0 3 288.420 3.399 40 0 CGABHN c1ccc2c(c1)NC(N1CCCCC1)=Nc1ncncc1-2 ZINC000006258054 275070690 /nfs/dbraw/zinc/07/06/90/275070690.db2.gz SXGPWTQEDWKYHG-UHFFFAOYSA-N 0 3 279.347 3.043 40 0 CGABHN COc1ccc(N2N=C(N)C[C@H]2c2ccc(F)cc2)cc1 ZINC000222548848 277909547 /nfs/dbraw/zinc/90/95/47/277909547.db2.gz QHRUTXSRBKFGEN-HNNXBMFYSA-N 0 3 285.322 3.058 40 0 CGABHN CN1CCC(c2nccnc2-c2ccc(F)c(F)c2)CC1 ZINC000072365104 289897791 /nfs/dbraw/zinc/89/77/91/289897791.db2.gz XRVHAIXJFMARLX-UHFFFAOYSA-N 0 3 289.329 3.231 40 0 CGABHN Cc1nc(-c2cc[nH]n2)cc([C@H]2CCCCN2C(C)C)n1 ZINC000257247361 293139000 /nfs/dbraw/zinc/13/90/00/293139000.db2.gz IYQPBJBIEKAMLE-MRXNPFEDSA-N 0 3 285.395 3.111 40 0 CGABHN COCCNCc1cc(C)n(Cc2ccccc2C)c1C ZINC000223662362 327936789 /nfs/dbraw/zinc/93/67/89/327936789.db2.gz DTUONBNTJUNFEB-UHFFFAOYSA-N 0 3 286.419 3.198 40 0 CGABHN CCOCC[C@@H]1CCOC12CCN(Cc1ccoc1)CC2 ZINC000585105462 346724266 /nfs/dbraw/zinc/72/42/66/346724266.db2.gz WZTQUGOLEUZFIO-MRXNPFEDSA-N 0 3 293.407 3.077 40 0 CGABHN CN[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000072207660 290805373 /nfs/dbraw/zinc/80/53/73/290805373.db2.gz JARAEFPSWXWDOV-CABCVRRESA-N 0 3 290.407 3.347 40 0 CGABHN CCN(CC)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000001683251 368431478 /nfs/dbraw/zinc/43/14/78/368431478.db2.gz SUEYIXUWXJMMPP-LBPRGKRZSA-N 0 3 262.180 3.369 40 0 CGABHN Cc1ccsc1CN(Cc1ccccc1)C[C@H](C)O ZINC000013991353 368672438 /nfs/dbraw/zinc/67/24/38/368672438.db2.gz XFLLYAHCFUKFJH-AWEZNQCLSA-N 0 3 275.417 3.440 40 0 CGABHN CCCCOc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000020092424 368800366 /nfs/dbraw/zinc/80/03/66/368800366.db2.gz NEUGDEOKMJTOOO-MRXNPFEDSA-N 0 3 263.381 3.134 40 0 CGABHN CC[C@@H](C)Oc1ccccc1CNC[C@H]1CCCO1 ZINC000066115694 369687949 /nfs/dbraw/zinc/68/79/49/369687949.db2.gz BUTNOOXYCKSCCH-UKRRQHHQSA-N 0 3 263.381 3.133 40 0 CGABHN COC(=O)C1=C(O)CC(c2ccccc2)(c2ccccc2)C1 ZINC000026895521 284311787 /nfs/dbraw/zinc/31/17/87/284311787.db2.gz ZTMHWJCACQLXSP-INIZCTEOSA-N 0 3 294.350 3.125 40 0 CGABHN Cc1ccc(CN2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257263305 190022486 /nfs/dbraw/zinc/02/24/86/190022486.db2.gz LPFISWWMKMZSIZ-SFHVURJKSA-N 0 3 281.403 3.382 40 0 CGABHN c1ccc(CN2CCC[C@H]2CCc2ccncc2)nc1 ZINC000257333847 190035580 /nfs/dbraw/zinc/03/55/80/190035580.db2.gz YDIXZXDYQQOEKS-KRWDZBQOSA-N 0 3 267.376 3.074 40 0 CGABHN CN(C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072212646 392199168 /nfs/dbraw/zinc/19/91/68/392199168.db2.gz QCIWXTBIAIUAHA-QGZVFWFLSA-N 0 3 281.403 3.485 40 0 CGABHN Cc1cc(NC2CC2)ncc1[C@H](N)c1ccccc1 ZINC000072223820 392203403 /nfs/dbraw/zinc/20/34/03/392203403.db2.gz GSUKGHWMMZZPKN-MRXNPFEDSA-N 0 3 253.349 3.012 40 0 CGABHN CNCc1ccc(SCc2ccccc2)nc1C ZINC000072224503 392204522 /nfs/dbraw/zinc/20/45/22/392204522.db2.gz XFBPVWWJNYMQKV-UHFFFAOYSA-N 0 3 258.390 3.402 40 0 CGABHN CCOc1c(Cl)cc(Cl)cc1CNC(C)(C)CO ZINC000008253405 170326954 /nfs/dbraw/zinc/32/69/54/170326954.db2.gz FHZWODVGIMPPRB-UHFFFAOYSA-N 0 3 292.206 3.253 40 0 CGABHN COCCNCc1ccccc1OCc1ccccc1F ZINC000008469251 170337108 /nfs/dbraw/zinc/33/71/08/170337108.db2.gz ACXBCKOCWJQYGD-UHFFFAOYSA-N 0 3 289.350 3.141 40 0 CGABHN C[C@H]1CCCCN1CCCOc1ccc(C=O)cc1 ZINC000008731550 170351370 /nfs/dbraw/zinc/35/13/70/170351370.db2.gz IZKQVCMKTOGYCT-AWEZNQCLSA-N 0 3 261.365 3.142 40 0 CGABHN CN(C)CCN(Cc1cccs1)Cc1ccc(F)cc1 ZINC000023247831 171417421 /nfs/dbraw/zinc/41/74/21/171417421.db2.gz ZLJUWUXKPSHCRD-UHFFFAOYSA-N 0 3 292.423 3.451 40 0 CGABHN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000044137730 175145900 /nfs/dbraw/zinc/14/59/00/175145900.db2.gz CAAZPJWHENFKCC-HNNXBMFYSA-N 0 3 290.407 3.128 40 0 CGABHN CN1CCC(c2csc(Nc3ccccn3)n2)CC1 ZINC000072363438 176377767 /nfs/dbraw/zinc/37/77/67/176377767.db2.gz FLAVJWKXTBFNBV-UHFFFAOYSA-N 0 3 274.393 3.091 40 0 CGABHN c1cc2cc(C[C@H]3CCN(Cc4ccncc4)C3)cnc2[nH]1 ZINC000072367623 176382576 /nfs/dbraw/zinc/38/25/76/176382576.db2.gz CNIFZQZGSSJELU-OAHLLOKOSA-N 0 3 292.386 3.023 40 0 CGABHN CCCc1cccc2cc3c(nc21)O[C@H](C)CNC3 ZINC000072392282 276056226 /nfs/dbraw/zinc/05/62/26/276056226.db2.gz AEQKKFCERZJCDC-LLVKDONJSA-N 0 3 256.349 3.058 40 0 CGABHN Cc1cccc(C(C)C)c1NC(=O)C1CCN(C)CC1 ZINC000074713336 281198837 /nfs/dbraw/zinc/19/88/37/281198837.db2.gz PSWCNXNKQVHBDF-UHFFFAOYSA-N 0 3 274.408 3.399 40 0 CGABHN CCOC1CC2(C1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096063169 185082203 /nfs/dbraw/zinc/08/22/03/185082203.db2.gz GVZROVQSRWVHTP-UHFFFAOYSA-N 0 3 289.419 3.476 40 0 CGABHN CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)s1)C2 ZINC000096107446 185100245 /nfs/dbraw/zinc/10/02/45/185100245.db2.gz WZFALHYHYBXQTL-HOCLYGCPSA-N 0 3 295.448 3.217 40 0 CGABHN CCN(CC)CCOC(=O)c1c(C)c(C)cc(C)c1C ZINC000001641590 368426237 /nfs/dbraw/zinc/42/62/37/368426237.db2.gz AXRBDAFZVYQPLS-UHFFFAOYSA-N 0 3 277.408 3.419 40 0 CGABHN COc1ccc(C(=O)OCc2ccccc2CN(C)C)cc1 ZINC000001716137 368434455 /nfs/dbraw/zinc/43/44/55/368434455.db2.gz PYNSQRYBVASIKX-UHFFFAOYSA-N 0 3 299.370 3.114 40 0 CGABHN Cc1[nH]c2ccccc2c(=O)c1CNCc1ccccc1 ZINC000004170350 368535633 /nfs/dbraw/zinc/53/56/33/368535633.db2.gz MFIGWSBMCIBDPT-UHFFFAOYSA-N 0 3 278.355 3.126 40 0 CGABHN Cc1ccc(CN(CCO)Cc2cccs2)cc1 ZINC000013997395 368672582 /nfs/dbraw/zinc/67/25/82/368672582.db2.gz PKSAYMFPVFJECQ-UHFFFAOYSA-N 0 3 261.390 3.051 40 0 CGABHN CN(C)C1(c2ccc(Cl)cc2)CCC(=O)CC1 ZINC000027429219 368871733 /nfs/dbraw/zinc/87/17/33/368871733.db2.gz GIPFCXTUXOTXRL-UHFFFAOYSA-N 0 3 251.757 3.240 40 0 CGABHN c1cnc(N2CCCCCC2)c([C@@H]2CCCCN2)c1 ZINC000072216714 369816335 /nfs/dbraw/zinc/81/63/35/369816335.db2.gz ADUHBQUBSLKFLW-HNNXBMFYSA-N 0 3 259.397 3.277 40 0 CGABHN Cc1sc2c([C@@H]3CCCN(C)C3)nc(C)n2c1C ZINC000072367697 369817111 /nfs/dbraw/zinc/81/71/11/369817111.db2.gz PANKDPVBNNGTQY-GFCCVEGCSA-N 0 3 263.410 3.130 40 0 CGABHN Cc1nccc([C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000257264010 190022193 /nfs/dbraw/zinc/02/21/93/190022193.db2.gz LSLMMKUJHAOENL-INIZCTEOSA-N 0 3 267.376 3.165 40 0 CGABHN CCCOc1ccccc1[C@@H](C)NC[C@H]1CCCO1 ZINC000225161910 376296459 /nfs/dbraw/zinc/29/64/59/376296459.db2.gz XJUHXZSRFBKDGD-ZIAGYGMSSA-N 0 3 263.381 3.305 40 0 CGABHN COCCN[C@@H](C)c1cccc(OCC(C)C)c1 ZINC000225166337 376296876 /nfs/dbraw/zinc/29/68/76/376296876.db2.gz LNDOANFGPHDOOL-ZDUSSCGKSA-N 0 3 251.370 3.018 40 0 CGABHN O=C1c2cc(Cl)ccc2[N+]([O-])=C1c1ccccc1 ZINC000001618479 285014676 /nfs/dbraw/zinc/01/46/76/285014676.db2.gz QDQMICQBCNQCIY-UHFFFAOYSA-N 0 3 257.676 3.167 40 0 CGABHN O=[N+]1c2ccc(Cl)cc2C([O-])=C1c1ccccc1 ZINC000001618479 285014677 /nfs/dbraw/zinc/01/46/77/285014677.db2.gz QDQMICQBCNQCIY-UHFFFAOYSA-N 0 3 257.676 3.167 40 0 CGABHN CN(C)CC[C@](O)(CCc1ccccc1)c1ccccc1 ZINC000000084965 391905364 /nfs/dbraw/zinc/90/53/64/391905364.db2.gz HXLXJOODQVGSCM-LJQANCHMSA-N 0 3 283.415 3.459 40 0 CGABHN CCN(CC)c1cc(C)c([C@H](N)c2ccccc2)cn1 ZINC000072223270 392202834 /nfs/dbraw/zinc/20/28/34/392202834.db2.gz XHMNXPNRNLCBML-QGZVFWFLSA-N 0 3 269.392 3.284 40 0 CGABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000095534097 392243925 /nfs/dbraw/zinc/24/39/25/392243925.db2.gz OBZLUKSYMSQKPA-CQSZACIVSA-N 0 3 298.777 3.482 40 0 CGABHN C[C@@H](c1ccccc1O)[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000004973170 170047320 /nfs/dbraw/zinc/04/73/20/170047320.db2.gz FJVDFCKYRXBJGP-VYDXJSESSA-N 0 3 289.419 3.387 40 0 CGABHN Cc1ccc(NC(=O)[C@@H](C)NCC(C)C)cc1Cl ZINC000006522849 170209356 /nfs/dbraw/zinc/20/93/56/170209356.db2.gz CVSQBMBZNMGSEO-LLVKDONJSA-N 0 3 268.788 3.221 40 0 CGABHN OCCN[C@H](Cc1ccccc1)c1ccccc1Cl ZINC000006580811 170215457 /nfs/dbraw/zinc/21/54/57/170215457.db2.gz DGPTUOCACJKOGN-MRXNPFEDSA-N 0 3 275.779 3.206 40 0 CGABHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000006933952 170256813 /nfs/dbraw/zinc/25/68/13/170256813.db2.gz CEZPKIGJZWWHJT-ABAIWWIYSA-N 0 3 256.349 3.152 40 0 CGABHN CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000008324115 170330863 /nfs/dbraw/zinc/33/08/63/170330863.db2.gz QXWJIXHEKDUIHC-UHFFFAOYSA-N 0 3 285.343 3.104 40 0 CGABHN C[C@@H](N)c1nc2ccccc2n1Cc1ccccc1 ZINC000016778379 170712459 /nfs/dbraw/zinc/71/24/59/170712459.db2.gz JCZLTHLKPYBYQF-GFCCVEGCSA-N 0 3 251.333 3.104 40 0 CGABHN CC[C@H](C)[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441213 173211321 /nfs/dbraw/zinc/21/13/21/173211321.db2.gz PURFUQMZTZSMDZ-WRWORJQWSA-N 0 3 282.185 3.371 40 0 CGABHN CC[C@H](C)[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441213 173211323 /nfs/dbraw/zinc/21/13/23/173211323.db2.gz PURFUQMZTZSMDZ-WRWORJQWSA-N 0 3 282.185 3.371 40 0 CGABHN Cc1ccc(Cc2cnc(C3CCN(C)CC3)cn2)cc1 ZINC000072360591 176376771 /nfs/dbraw/zinc/37/67/71/176376771.db2.gz PNBDCCPUWPCNPP-UHFFFAOYSA-N 0 3 281.403 3.185 40 0 CGABHN CN1CCC[C@@H](c2cccc(Oc3cccnc3)n2)C1 ZINC000072365070 176380182 /nfs/dbraw/zinc/38/01/82/176380182.db2.gz WXGXKTHHXUBWTB-CYBMUJFWSA-N 0 3 269.348 3.078 40 0 CGABHN Nc1ccc2nc(-c3ccc(F)cc3)cc(N)c2c1 ZINC000091692574 274965031 /nfs/dbraw/zinc/96/50/31/274965031.db2.gz JUTOAAFTSUUEFP-UHFFFAOYSA-N 0 3 253.280 3.205 40 0 CGABHN O[C@@H]1CCN(Cc2ccc(F)cc2)[C@H]1Cc1ccccc1 ZINC000096061560 185082789 /nfs/dbraw/zinc/08/27/89/185082789.db2.gz WAKGCWFPLCVNEM-ZWKOTPCHSA-N 0 3 285.362 3.004 40 0 CGABHN CC(C)c1ccc(CN2CC[C@H]3NC(=O)CCC[C@H]32)cc1 ZINC000019713264 344890847 /nfs/dbraw/zinc/89/08/47/344890847.db2.gz XEDGPPXUIDHPRP-IAGOWNOFSA-N 0 3 286.419 3.053 40 0 CGABHN CCCCOc1ccc([C@@H](C)NCCOC)cc1 ZINC000225169495 189744852 /nfs/dbraw/zinc/74/48/52/189744852.db2.gz OUBGPSGMTYCSQY-CYBMUJFWSA-N 0 3 251.370 3.163 40 0 CGABHN CC[C@@H](C)[C@@H](C(=O)OC1CCN(C)CC1)c1ccccc1 ZINC000000155896 368305112 /nfs/dbraw/zinc/30/51/12/368305112.db2.gz UKQYEYCQIQBHBC-RHSMWYFYSA-N 0 3 289.419 3.454 40 0 in-man CGABHN CN(C)[C@@H]1Cc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001568912 368419050 /nfs/dbraw/zinc/41/90/50/368419050.db2.gz XHYXVRAZPBSVMR-SJORKVTESA-N 0 3 281.355 3.071 40 0 CGABHN CCN(CC)CCOC(=O)c1ccc(Cl)cc1Cl ZINC000003160042 368495357 /nfs/dbraw/zinc/49/53/57/368495357.db2.gz DFTYRYYXGZCRKV-UHFFFAOYSA-N 0 3 290.190 3.492 40 0 CGABHN CC1=C(C(=S)NC(=O)c2ccccc2)C2N=CC=CC2=C1 ZINC000016739537 368720664 /nfs/dbraw/zinc/72/06/64/368720664.db2.gz NVNSANUNIOLIEC-HNNXBMFYSA-N 0 3 294.379 3.010 40 0 CGABHN CCN1CCC[C@H]1CN(Cc1ccco1)Cc1ccccn1 ZINC000019527164 368757136 /nfs/dbraw/zinc/75/71/36/368757136.db2.gz GENIFBSXQCGEPA-KRWDZBQOSA-N 0 3 299.418 3.161 40 0 CGABHN CCCOc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963777 368791105 /nfs/dbraw/zinc/79/11/05/368791105.db2.gz ZCGNYRHJIHICCJ-XJKSGUPXSA-N 0 3 263.381 3.305 40 0 CGABHN c1ccc(CN2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000026898119 368866653 /nfs/dbraw/zinc/86/66/53/368866653.db2.gz HMGDLYUTYLPXDR-QGZVFWFLSA-N 0 3 253.345 3.340 40 0 CGABHN CCCN(CCC)Cc1ccc(C(=O)OCC)o1 ZINC000037625078 369093542 /nfs/dbraw/zinc/09/35/42/369093542.db2.gz NYDSYLNXFJNDQK-UHFFFAOYSA-N 0 3 253.342 3.078 40 0 CGABHN CC(C)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049824731 369416258 /nfs/dbraw/zinc/41/62/58/369416258.db2.gz KFSWCSCKHIPSMT-UHFFFAOYSA-N 0 3 262.180 3.196 40 0 CGABHN CC[C@H](C)Oc1ccccc1CNC[C@@H]1CCCO1 ZINC000066115693 369687759 /nfs/dbraw/zinc/68/77/59/369687759.db2.gz BUTNOOXYCKSCCH-ZFWWWQNUSA-N 0 3 263.381 3.133 40 0 CGABHN Cc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000067801169 369730207 /nfs/dbraw/zinc/73/02/07/369730207.db2.gz LTVAXKIZYRUIFE-OAHLLOKOSA-N 0 3 290.407 3.094 40 0 CGABHN OC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000070453073 369799807 /nfs/dbraw/zinc/79/98/07/369799807.db2.gz YDKXUUMQZUDEPO-ZDUSSCGKSA-N 0 3 273.298 3.225 40 0 CGABHN CCc1nc(C)c(CN2CCC(Cc3ccncc3)CC2)[nH]1 ZINC000257229913 190016240 /nfs/dbraw/zinc/01/62/40/190016240.db2.gz FZZASRRXWLFPEJ-UHFFFAOYSA-N 0 3 298.434 3.130 40 0 CGABHN CC(C)n1nccc1CN1CCC[C@H](Cc2ccccn2)C1 ZINC000257237413 190017945 /nfs/dbraw/zinc/01/79/45/190017945.db2.gz HGITYINOHXVACX-MRXNPFEDSA-N 0 3 298.434 3.314 40 0 CGABHN c1cncc(CN2CCC[C@@H]2CCc2ccncc2)c1 ZINC000257310278 190032251 /nfs/dbraw/zinc/03/22/51/190032251.db2.gz UELUVDQGZSRIHV-QGZVFWFLSA-N 0 3 267.376 3.074 40 0 CGABHN c1coc(Cc2ccc(CNCc3ccccc3)[nH]2)c1 ZINC000226021212 376339383 /nfs/dbraw/zinc/33/93/83/376339383.db2.gz DKMQISSBSZNKFW-UHFFFAOYSA-N 0 3 266.344 3.488 40 0 CGABHN CCCOc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 ZINC000225167176 376296609 /nfs/dbraw/zinc/29/66/09/376296609.db2.gz WXAFJFPTBGVTKM-BBRMVZONSA-N 0 3 263.381 3.305 40 0 CGABHN CCCOc1ccccc1[C@H](C)NC[C@@H]1CCCO1 ZINC000225161873 376296621 /nfs/dbraw/zinc/29/66/21/376296621.db2.gz XJUHXZSRFBKDGD-KBPBESRZSA-N 0 3 263.381 3.305 40 0 CGABHN C[C@H]1C[C@@H](N)c2ccccc2N1C(=O)OC(C)(C)C ZINC000242722800 376782822 /nfs/dbraw/zinc/78/28/22/376782822.db2.gz XVHAIQLVLSSAMN-CMPLNLGQSA-N 0 3 262.353 3.220 40 0 CGABHN Cc1cc(NC2CC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223821 256704857 /nfs/dbraw/zinc/70/48/57/256704857.db2.gz GSUKGHWMMZZPKN-INIZCTEOSA-N 0 3 253.349 3.012 40 0 CGABHN CN1CCC[C@H]1c1ccc(OCc2ccccc2)nc1 ZINC000072212005 392196985 /nfs/dbraw/zinc/19/69/85/392196985.db2.gz VHQKLEXLXFXILK-INIZCTEOSA-N 0 3 268.360 3.427 40 0 CGABHN CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2)cn1 ZINC000072214451 392198663 /nfs/dbraw/zinc/19/86/63/392198663.db2.gz DVWBRMATBLGORP-CYBMUJFWSA-N 0 3 291.395 3.268 40 0 CGABHN CCN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216033 392200306 /nfs/dbraw/zinc/20/03/06/392200306.db2.gz IXTPLFKJESMBKL-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN CN1CC=C(c2nc3cc(Br)ccc3o2)CC1 ZINC000226251055 277023551 /nfs/dbraw/zinc/02/35/51/277023551.db2.gz ZXTUIGUELBDRCI-UHFFFAOYSA-N 0 3 293.164 3.309 40 0 CGABHN CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1 ZINC000072208966 279894903 /nfs/dbraw/zinc/89/49/03/279894903.db2.gz JIMJVFSLVVNKKW-UONOGXRCSA-N 0 3 278.396 3.236 40 0 CGABHN CN(C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)c1ccccc1 ZINC000001869862 282226900 /nfs/dbraw/zinc/22/69/00/282226900.db2.gz LBQGJHNNGUZLOH-MSOLQXFVSA-N 0 3 295.382 3.461 40 0 CGABHN O[C@@]12CCCC[C@H]1CN(CC1=Cc3ccccc3OC1)CC2 ZINC000019375136 344889931 /nfs/dbraw/zinc/88/99/31/344889931.db2.gz DRALRCCXSSHPOB-PKOBYXMFSA-N 0 3 299.414 3.089 40 0 CGABHN CN(C)C[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000000340668 368342810 /nfs/dbraw/zinc/34/28/10/368342810.db2.gz GJUPMIOTRBVKSA-MRXNPFEDSA-N 0 3 253.345 3.215 40 0 CGABHN CC(C)(C)c1ccc([C@]23CCCN2CCCN3)cc1 ZINC000019329213 368747965 /nfs/dbraw/zinc/74/79/65/368747965.db2.gz XJYZXMQUOREZTJ-KRWDZBQOSA-N 0 3 258.409 3.226 40 0 CGABHN Fc1ccc([C@@H]2COC[C@H]2NCc2ccsc2)cc1 ZINC000019336225 368749014 /nfs/dbraw/zinc/74/90/14/368749014.db2.gz MTZYPSUGJZFYHT-LSDHHAIUSA-N 0 3 277.364 3.159 40 0 CGABHN Fc1ccc([C@@H]2COC[C@H]2NCc2ccccc2)cc1 ZINC000019372692 368750697 /nfs/dbraw/zinc/75/06/97/368750697.db2.gz RIQKWIAZSFJVIE-DLBZAZTESA-N 0 3 271.335 3.098 40 0 CGABHN c1csc([C@@H](Cc2ccsc2)NC[C@@H]2CCOC2)n1 ZINC000019406507 368751438 /nfs/dbraw/zinc/75/14/38/368751438.db2.gz DIWKJUZOBCAGTH-QWHCGFSZSA-N 0 3 294.445 3.115 40 0 CGABHN CC[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000035818584 369006037 /nfs/dbraw/zinc/00/60/37/369006037.db2.gz XNNHSXBJDMAZPZ-OAHLLOKOSA-N 0 3 288.435 3.447 40 0 CGABHN CCN(CC)Cc1ccc(Br)cc1F ZINC000042211189 369204028 /nfs/dbraw/zinc/20/40/28/369204028.db2.gz QXSVUCOSZJDPQI-UHFFFAOYSA-N 0 3 260.150 3.430 40 0 CGABHN Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000046882662 369298678 /nfs/dbraw/zinc/29/86/78/369298678.db2.gz RAZDSFRUKHELOH-GJZGRUSLSA-N 0 3 288.435 3.011 40 0 CGABHN CC[C@](CO)(c1ccccc1)N(C)Cc1ccccc1 ZINC000065734693 369685470 /nfs/dbraw/zinc/68/54/70/369685470.db2.gz WVCKSRCCDDRZCQ-SFHVURJKSA-N 0 3 269.388 3.416 40 0 in-vitro CGABHN Cc1cc(C)c(NC(=O)CC2CCN(C)CC2)c(C)c1 ZINC000074920998 369890741 /nfs/dbraw/zinc/89/07/41/369890741.db2.gz XHDMCXUUNDNKRY-UHFFFAOYSA-N 0 3 274.408 3.282 40 0 CGABHN CN1CCC[C@@H](c2nc3ccc(-c4cccs4)cn3n2)C1 ZINC000306136605 374127732 /nfs/dbraw/zinc/12/77/32/374127732.db2.gz PXZUHTAOXJWPOH-CYBMUJFWSA-N 0 3 298.415 3.267 40 0 CGABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1ccc(C)nc1 ZINC000257200707 190010953 /nfs/dbraw/zinc/01/09/53/190010953.db2.gz AEOUWERWRWRKFM-HNNXBMFYSA-N 0 3 270.380 3.149 40 0 CGABHN c1cncc(CN2CCC[C@H]2CCc2ccncc2)c1 ZINC000257310277 190031651 /nfs/dbraw/zinc/03/16/51/190031651.db2.gz UELUVDQGZSRIHV-KRWDZBQOSA-N 0 3 267.376 3.074 40 0 CGABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000248079704 377266151 /nfs/dbraw/zinc/26/61/51/377266151.db2.gz ACSZNQVPNYRNTG-MOPGFXCFSA-N 0 3 296.414 3.127 40 0 CGABHN CSc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)cc1 ZINC000079420644 392220515 /nfs/dbraw/zinc/22/05/15/392220515.db2.gz NILSZGYNYZEBRN-HNNXBMFYSA-N 0 3 294.464 3.129 40 0 CGABHN CC(C)(CO)NCc1ccc(OCc2cccs2)cc1 ZINC000005817216 170143106 /nfs/dbraw/zinc/14/31/06/170143106.db2.gz KRYJKHRIRVNUNL-UHFFFAOYSA-N 0 3 291.416 3.188 40 0 CGABHN CCOP(=O)(OCC)[C@@H](N)Cc1c[nH]c2ccccc12 ZINC000005839108 170145548 /nfs/dbraw/zinc/14/55/48/170145548.db2.gz UWBAVKPWFCHBPQ-CQSZACIVSA-N 0 3 296.307 3.261 40 0 CGABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OC ZINC000008253684 170327558 /nfs/dbraw/zinc/32/75/58/170327558.db2.gz GYRMGVWBSOMKOU-GFCCVEGCSA-N 0 3 299.798 3.016 40 0 CGABHN NCc1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000020222763 171084997 /nfs/dbraw/zinc/08/49/97/171084997.db2.gz DMIGUBQNJJCXJA-UHFFFAOYSA-N 0 3 257.724 3.113 40 0 CGABHN CCCOc1ccc(CNC[C@@H]2CCCO2)cc1OCC ZINC000020933250 171281087 /nfs/dbraw/zinc/28/10/87/171281087.db2.gz KFNHNZIUSYNJGJ-HNNXBMFYSA-N 0 3 293.407 3.143 40 0 CGABHN CC1CCN(Cc2ccc(C(=O)NC(C)(C)C)cc2)CC1 ZINC000038755074 174154528 /nfs/dbraw/zinc/15/45/28/174154528.db2.gz VRXHTZYKLHAPFL-UHFFFAOYSA-N 0 3 288.435 3.447 40 0 CGABHN NC[C@@H](c1ccc(Cl)c(Cl)c1)N1CCCCC1 ZINC000038809043 174156288 /nfs/dbraw/zinc/15/62/88/174156288.db2.gz DDEHZTKEVRKRDX-ZDUSSCGKSA-N 0 3 273.207 3.479 40 0 CGABHN CN1CCC[C@H](c2cccc(-c3ccc(CO)cc3)n2)C1 ZINC000072343508 176371930 /nfs/dbraw/zinc/37/19/30/176371930.db2.gz NHILNWYNNDOWCY-INIZCTEOSA-N 0 3 282.387 3.050 40 0 CGABHN CN1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375105 176385171 /nfs/dbraw/zinc/38/51/71/176385171.db2.gz RCXPCXOVZXIAJA-LLVKDONJSA-N 0 3 260.366 3.048 40 0 CGABHN CC1CCN([C@@H](CN)c2ccc(Br)cc2)CC1 ZINC000038860331 276199318 /nfs/dbraw/zinc/19/93/18/276199318.db2.gz UFKISHUZDCRZOZ-AWEZNQCLSA-N 0 3 297.240 3.181 40 0 CGABHN CCOCC[C@H]1Cn2cccc2CN(CC2CCC2)C1 ZINC000585095092 346724682 /nfs/dbraw/zinc/72/46/82/346724682.db2.gz DZGSBRNKQBBMTK-MRXNPFEDSA-N 0 3 276.424 3.147 40 0 CGABHN COCCN[C@H](C)c1cccc(OC2CCCC2)c1 ZINC000225166289 189745193 /nfs/dbraw/zinc/74/51/93/189745193.db2.gz AFTNZORYFQGHHF-CYBMUJFWSA-N 0 3 263.381 3.305 40 0 CGABHN Cc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000016758611 368721145 /nfs/dbraw/zinc/72/11/45/368721145.db2.gz VGIPEGOQFNUFNF-WBVHZDCISA-N 0 3 285.387 3.086 40 0 CGABHN Fc1ccc([C@@H]2COC[C@H]2NCc2ccccc2F)cc1 ZINC000019349570 368747703 /nfs/dbraw/zinc/74/77/03/368747703.db2.gz AFTQHOKWSUDSHV-DOTOQJQBSA-N 0 3 289.325 3.237 40 0 CGABHN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](C)N ZINC000037817062 369118098 /nfs/dbraw/zinc/11/80/98/369118098.db2.gz ZMTFGLJPSQVNNG-VIFPVBQESA-N 0 3 289.206 3.078 40 0 CGABHN CCN1CC[C@H](c2cccc(Br)c2)C1 ZINC000066346899 369692253 /nfs/dbraw/zinc/69/22/53/369692253.db2.gz ZKLFJQPUTPGIOF-NSHDSACASA-N 0 3 254.171 3.258 40 0 CGABHN NCc1c(-c2ccc(C(F)(F)F)cc2)nc2ccccn21 ZINC000070450776 369799629 /nfs/dbraw/zinc/79/96/29/369799629.db2.gz ZNJSCAMATCRPHG-UHFFFAOYSA-N 0 3 291.276 3.479 40 0 CGABHN Cc1cccnc1CN1CCC[C@H](c2nccs2)C1 ZINC000093169622 370112161 /nfs/dbraw/zinc/11/21/61/370112161.db2.gz ZHSSHWRHKGMMRX-ZDUSSCGKSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1ccc(CN2CCC[C@@H](c3cnccn3)C2)s1 ZINC000257242796 190018326 /nfs/dbraw/zinc/01/83/26/190018326.db2.gz IEEKJXFVDBCRPK-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN Cc1ccc(CN2CCC[C@@H](Cc3ccccn3)C2)cn1 ZINC000257281718 190025943 /nfs/dbraw/zinc/02/59/43/190025943.db2.gz OQQIRDJEAJRSAD-INIZCTEOSA-N 0 3 281.403 3.240 40 0 CGABHN CCCCOc1ccc([C@H](C)NCCOC)cc1 ZINC000225169536 376297482 /nfs/dbraw/zinc/29/74/82/376297482.db2.gz OUBGPSGMTYCSQY-ZDUSSCGKSA-N 0 3 251.370 3.163 40 0 CGABHN CN1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 ZINC000248114294 377267343 /nfs/dbraw/zinc/26/73/43/377267343.db2.gz IHFWJQMJMIROBC-MOPGFXCFSA-N 0 3 296.414 3.127 40 0 CGABHN CCCC[C@@H](CC)[C@@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004094089 391918754 /nfs/dbraw/zinc/91/87/54/391918754.db2.gz ZPDBNCKBKRZZEB-OWCLPIDISA-N 0 3 269.429 3.430 40 0 CGABHN CCSc1ncc(CNCCc2ccc(F)cc2)cn1 ZINC000062717306 392133799 /nfs/dbraw/zinc/13/37/99/392133799.db2.gz POSSRUMEVCGGMF-UHFFFAOYSA-N 0 3 291.395 3.060 40 0 CGABHN Cc1cc([C@H]2CCCCN2C)cnc1N1CCCC1 ZINC000072218815 392200332 /nfs/dbraw/zinc/20/03/32/392200332.db2.gz HTWDJDNYYMJXDO-OAHLLOKOSA-N 0 3 259.397 3.147 40 0 CGABHN COCCNCCOc1ccc(C2CCCCC2)cc1 ZINC000085391768 397641352 /nfs/dbraw/zinc/64/13/52/397641352.db2.gz MJVUYQWCNZWDBM-UHFFFAOYSA-N 0 3 277.408 3.349 40 0 CGABHN CN1CCC[C@@H](c2cccc(C(=O)Nc3ccccc3)n2)C1 ZINC000072359254 176377091 /nfs/dbraw/zinc/37/70/91/176377091.db2.gz JGKOJKUOHIWISJ-CQSZACIVSA-N 0 3 295.386 3.143 40 0 CGABHN CC1CCN([C@H](CN)c2ccc(Br)cc2)CC1 ZINC000038860334 278550703 /nfs/dbraw/zinc/55/07/03/278550703.db2.gz UFKISHUZDCRZOZ-CQSZACIVSA-N 0 3 297.240 3.181 40 0 CGABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H](C)c1ccc(F)cc1 ZINC000079418793 280271077 /nfs/dbraw/zinc/27/10/77/280271077.db2.gz VRXDSLZUPNNUIR-DOMZBBRYSA-N 0 3 280.387 3.107 40 0 CGABHN CN1CC[C@]12CCCN(C(=O)c1ccc3ccccc3c1)C2 ZINC000585102297 346724671 /nfs/dbraw/zinc/72/46/71/346724671.db2.gz WOFPUJNGCOCGQE-IBGZPJMESA-N 0 3 294.398 3.150 40 0 CGABHN COc1ccc([C@H](OCCN(C)C)c2ccccc2)cc1 ZINC000000000444 368269503 /nfs/dbraw/zinc/26/95/03/368269503.db2.gz BXCMCXBSUDRYPF-GOSISDBHSA-N 0 3 285.387 3.363 40 0 in-man CGABHN CC(C)=CCN1CCC[C@H](n2c(=O)oc3ccccc32)C1 ZINC000012219410 368606765 /nfs/dbraw/zinc/60/67/65/368606765.db2.gz SKDLJRYCCFRNBX-AWEZNQCLSA-N 0 3 286.375 3.198 40 0 CGABHN COC(=O)/C(=C/c1ccccc1)CN1CCCC[C@@H]1C ZINC000017045447 368727502 /nfs/dbraw/zinc/72/75/02/368727502.db2.gz CYTSEDNEUSSRPV-AOHITCTBSA-N 0 3 273.376 3.117 40 0 CGABHN Cc1ccccc1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000016758614 368720727 /nfs/dbraw/zinc/72/07/27/368720727.db2.gz VGIPEGOQFNUFNF-RDJZCZTQSA-N 0 3 285.387 3.086 40 0 CGABHN CC(C)(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000052527980 369469262 /nfs/dbraw/zinc/46/92/62/369469262.db2.gz PMGAQWYABKMDDH-UHFFFAOYSA-N 0 3 288.435 3.335 40 0 CGABHN CC[C@@H](C)Oc1ccccc1CNC[C@@H]1CCCO1 ZINC000066115692 369688650 /nfs/dbraw/zinc/68/86/50/369688650.db2.gz BUTNOOXYCKSCCH-HIFRSBDPSA-N 0 3 263.381 3.133 40 0 CGABHN CSc1ccc(C2(O)CCN(C(C)C)CC2)cc1 ZINC000079030459 369960175 /nfs/dbraw/zinc/96/01/75/369960175.db2.gz FFLQFFYCMXTQFI-UHFFFAOYSA-N 0 3 265.422 3.100 40 0 CGABHN COC[C@H]1COCCC12CCN(Cc1ccsc1)CC2 ZINC000096209041 370209078 /nfs/dbraw/zinc/20/90/78/370209078.db2.gz LZPGLHPLSHHVDT-HNNXBMFYSA-N 0 3 295.448 3.013 40 0 CGABHN Cc1cncc(C2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000257200004 190011046 /nfs/dbraw/zinc/01/10/46/190011046.db2.gz ABPKRBHMTBSKFH-UHFFFAOYSA-N 0 3 285.366 3.304 40 0 CGABHN COCCN[C@@H](C)c1ccccc1OC1CCCC1 ZINC000225160805 376296720 /nfs/dbraw/zinc/29/67/20/376296720.db2.gz YKBOLQZIIJKALA-ZDUSSCGKSA-N 0 3 263.381 3.305 40 0 CGABHN CN(C)CCNC1c2ccccc2CCc2ccccc21 ZINC000019366669 391936141 /nfs/dbraw/zinc/93/61/41/391936141.db2.gz CZULGHYJEDZFMY-UHFFFAOYSA-N 0 3 280.415 3.026 40 0 CGABHN CCSc1ncc(CNCCc2ccccc2F)cn1 ZINC000062717305 392133500 /nfs/dbraw/zinc/13/35/00/392133500.db2.gz ANPRQLMBJRPMIE-UHFFFAOYSA-N 0 3 291.395 3.060 40 0 CGABHN CC(C)(C)Nc1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225840 392204430 /nfs/dbraw/zinc/20/44/30/392204430.db2.gz LPQROALEPDPHEO-HNNXBMFYSA-N 0 3 255.365 3.340 40 0 CGABHN COC(=O)/C(=C\c1ccccc1)CN1CCCC[C@H]1C ZINC000005340843 170087801 /nfs/dbraw/zinc/08/78/01/170087801.db2.gz CYTSEDNEUSSRPV-IZCBMXNHSA-N 0 3 273.376 3.117 40 0 CGABHN C[C@H]1CCCCN1CCCOc1ccccc1C=O ZINC000008731552 170351208 /nfs/dbraw/zinc/35/12/08/170351208.db2.gz ZBTBOTFVUDMAOT-AWEZNQCLSA-N 0 3 261.365 3.142 40 0 CGABHN FC(F)(F)CCOc1ccccc1CNC1CC1 ZINC000080936590 260182175 /nfs/dbraw/zinc/18/21/75/260182175.db2.gz VNEQXDNXRWLOSH-UHFFFAOYSA-N 0 3 259.271 3.270 40 0 CGABHN CCN(CCOC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000005700951 276133486 /nfs/dbraw/zinc/13/34/86/276133486.db2.gz IVITUNMAUPXSGV-RBUKOAKNSA-N 0 3 299.414 3.430 40 0 CGABHN C[C@@](CO)(c1ccccc1Cl)N1CCCCC1 ZINC000070453428 297838348 /nfs/dbraw/zinc/83/83/48/297838348.db2.gz QYPPYSKWZCMIKW-CQSZACIVSA-N 0 3 253.773 3.033 40 0 CGABHN CC(C)[C@H]1C[C@@H](N)c2cc(Br)ccc2O1 ZINC000130880062 346061696 /nfs/dbraw/zinc/06/16/96/346061696.db2.gz FLTFNJGIJIYDQX-ZYHUDNBSSA-N 0 3 270.170 3.256 40 0 CGABHN CCOCC[C@H]1CCOC12CCN(Cc1ccco1)CC2 ZINC000585103972 346724396 /nfs/dbraw/zinc/72/43/96/346724396.db2.gz FFTXJQNJKRQZTM-HNNXBMFYSA-N 0 3 293.407 3.077 40 0 CGABHN c1cc([C@@H]2CCCN(Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000124005387 187118472 /nfs/dbraw/zinc/11/84/72/187118472.db2.gz PWJBYTIHVANWKO-OAHLLOKOSA-N 0 3 292.386 3.338 40 0 CGABHN COc1ccc2c(c1)C=C(/C=C/C1=CCN(C)CC1)CO2 ZINC000012143038 368605041 /nfs/dbraw/zinc/60/50/41/368605041.db2.gz QCAAAVPTLBSDPW-ONEGZZNKSA-N 0 3 283.371 3.289 40 0 CGABHN c1coc(-c2[nH]c3ncccc3c2CN2CCCOCC2)c1 ZINC000019345219 368747829 /nfs/dbraw/zinc/74/78/29/368747829.db2.gz RCWUJUQIQOQZTF-UHFFFAOYSA-N 0 3 297.358 3.045 40 0 CGABHN Cc1ccccc1CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067801145 369730633 /nfs/dbraw/zinc/73/06/33/369730633.db2.gz VBNHPAWKAZXPSA-HNNXBMFYSA-N 0 3 290.407 3.094 40 0 CGABHN CC(C)N(c1ncccc1[C@@H]1CCCN1C)C(C)C ZINC000072213001 369815003 /nfs/dbraw/zinc/81/50/03/369815003.db2.gz MSGPOCXYMABHCC-HNNXBMFYSA-N 0 3 261.413 3.472 40 0 CGABHN COc1ccc(Cl)cc1NC(=O)CC1CCN(C)CC1 ZINC000074921012 369891862 /nfs/dbraw/zinc/89/18/62/369891862.db2.gz KFWISUCCZSFDRP-UHFFFAOYSA-N 0 3 296.798 3.019 40 0 CGABHN N[C@H]1C=C(C(F)(F)F)NC=C1c1ccc(Cl)cc1 ZINC000101027455 370286118 /nfs/dbraw/zinc/28/61/18/370286118.db2.gz PZBXEAVBSGAFGA-JTQLQIEISA-N 0 3 274.673 3.058 40 0 CGABHN CC(C)C[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1 ZINC000174551433 373336161 /nfs/dbraw/zinc/33/61/61/373336161.db2.gz ATNWFYXUIXNNKD-QGZVFWFLSA-N 0 3 288.435 3.232 40 0 CGABHN Cc1cc(F)c(CN[C@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000334566877 374866930 /nfs/dbraw/zinc/86/69/30/374866930.db2.gz QYNRAAYMAMISIJ-NSHDSACASA-N 0 3 293.773 3.089 40 0 CGABHN CNc1ncccc1CN1CCC[C@@H]1CCc1ccncc1 ZINC000257233967 190016639 /nfs/dbraw/zinc/01/66/39/190016639.db2.gz GRNMOMBULFGJCG-QGZVFWFLSA-N 0 3 296.418 3.116 40 0 CGABHN CC[C@H](C)Oc1ccccc1[C@@H](C)NCCOC ZINC000225161033 376297425 /nfs/dbraw/zinc/29/74/25/376297425.db2.gz CTFSDGXSKPYMPS-QWHCGFSZSA-N 0 3 251.370 3.161 40 0 CGABHN CCN1CC(C)(C)N(C(=O)c2ccccc2)CC1(C)C ZINC000001700429 285183281 /nfs/dbraw/zinc/18/32/81/285183281.db2.gz CXXSGCYZGDXXJS-UHFFFAOYSA-N 0 3 274.408 3.022 40 0 CGABHN Cc1cc(N2CCNCC2)c2c(Cl)cc(Cl)cc2n1 ZINC000068136522 392163192 /nfs/dbraw/zinc/16/31/92/392163192.db2.gz MEICSZKTAZDSKN-UHFFFAOYSA-N 0 3 296.201 3.260 40 0 CGABHN c1ccc(COc2ccc([C@H]3CCCCN3)cn2)cc1 ZINC000072212032 392197554 /nfs/dbraw/zinc/19/75/54/392197554.db2.gz CMAAQRRMZLBURO-MRXNPFEDSA-N 0 3 268.360 3.475 40 0 CGABHN CN(c1ccccc1)c1ccc(C2=NCCC2)cn1 ZINC000072214179 392199023 /nfs/dbraw/zinc/19/90/23/392199023.db2.gz VEQMQTDZWJVCCO-UHFFFAOYSA-N 0 3 251.333 3.432 40 0 CGABHN CN1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216056 392200560 /nfs/dbraw/zinc/20/05/60/392200560.db2.gz LJQXCTXRIIGVGZ-OAHLLOKOSA-N 0 3 259.397 3.229 40 0 CGABHN CCCNc1ccc([C@@H](N)c2ccccc2)c(C)n1 ZINC000072224261 392202782 /nfs/dbraw/zinc/20/27/82/392202782.db2.gz PTAQDIZNLUYFEE-INIZCTEOSA-N 0 3 255.365 3.260 40 0 CGABHN COc1cccc(C=O)c1OCCCN1CCCC[C@H]1C ZINC000008731557 170351262 /nfs/dbraw/zinc/35/12/62/170351262.db2.gz YKTBDIHSLXXFHL-CQSZACIVSA-N 0 3 291.391 3.151 40 0 CGABHN CC[C@H]1CCCCN1CCOc1ccc(C=O)cc1OC ZINC000020131564 171020183 /nfs/dbraw/zinc/02/01/83/171020183.db2.gz NJGDWSPTZNZAOS-HNNXBMFYSA-N 0 3 291.391 3.151 40 0 CGABHN CC(C)N1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072361653 176377649 /nfs/dbraw/zinc/37/76/49/176377649.db2.gz KMRMMUJQDBSJQG-AWEZNQCLSA-N 0 3 298.390 3.252 40 0 CGABHN CC(C)(C)c1[nH]c2ncccc2c1CN1CCSCC1 ZINC000072393630 176394581 /nfs/dbraw/zinc/39/45/81/176394581.db2.gz RWQJLVFSOXLSRD-UHFFFAOYSA-N 0 3 289.448 3.409 40 0 CGABHN CCN1CCC[C@@H]1CN(Cc1ccco1)Cc1ccccn1 ZINC000019527163 279303023 /nfs/dbraw/zinc/30/30/23/279303023.db2.gz GENIFBSXQCGEPA-QGZVFWFLSA-N 0 3 299.418 3.161 40 0 CGABHN CCOC(=O)c1ccc(-c2ccc(CNC3CC3)o2)cc1 ZINC000007520502 528195852 /nfs/dbraw/zinc/19/58/52/528195852.db2.gz AVZPDGKSXQLVST-UHFFFAOYSA-N 0 3 285.343 3.375 40 0 CGABHN C[C@H]1CCCN([C@H](CN)c2ccccc2Br)C1 ZINC000108018427 345936384 /nfs/dbraw/zinc/93/63/84/345936384.db2.gz IBLBHSHLRDRWHD-SMDDNHRTSA-N 0 3 297.240 3.181 40 0 CGABHN c1cc2n(c1)C[C@H](CCOCC1CC1)CN(C1CCC1)C2 ZINC000585095287 346724602 /nfs/dbraw/zinc/72/46/02/346724602.db2.gz NORALQMJOHNJIF-INIZCTEOSA-N 0 3 288.435 3.289 40 0 CGABHN CC[C@H](C)[C@@H](C(=O)OC1CCN(C)CC1)c1ccccc1 ZINC000000155897 368304796 /nfs/dbraw/zinc/30/47/96/368304796.db2.gz UKQYEYCQIQBHBC-WMLDXEAASA-N 0 3 289.419 3.454 40 0 in-man CGABHN CN(C)C[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001670706 368428745 /nfs/dbraw/zinc/42/87/45/368428745.db2.gz XEUOPBITPYQCMJ-IAGOWNOFSA-N 0 3 255.361 3.065 40 0 CGABHN CCN(CC)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000001726177 368436366 /nfs/dbraw/zinc/43/63/66/368436366.db2.gz PVVWBXMVRJAOOA-UHFFFAOYSA-N 0 3 296.414 3.234 40 0 CGABHN CN(C)[C@@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1 ZINC000001869859 368440304 /nfs/dbraw/zinc/44/03/04/368440304.db2.gz LBQGJHNNGUZLOH-QZTJIDSGSA-N 0 3 295.382 3.461 40 0 CGABHN c1ccc([C@H]2NCC3(CCOCC3)c3ccccc32)cc1 ZINC000019789202 368765341 /nfs/dbraw/zinc/76/53/41/368765341.db2.gz ICFBIQTYGQSYPR-GOSISDBHSA-N 0 3 279.383 3.427 40 0 CGABHN N[C@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1 ZINC000022866995 368812072 /nfs/dbraw/zinc/81/20/72/368812072.db2.gz ZWFNPSCBOVCVTB-CYBMUJFWSA-N 0 3 276.343 3.287 40 0 CGABHN C[C@H](CN[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C ZINC000047219041 369309979 /nfs/dbraw/zinc/30/99/79/369309979.db2.gz KPIIVEYPTCQGJK-OLZOCXBDSA-N 0 3 263.381 3.315 40 0 CGABHN Cc1ccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)o1 ZINC000049169502 369391372 /nfs/dbraw/zinc/39/13/72/369391372.db2.gz ZCCPRINULBOBGC-LBPRGKRZSA-N 0 3 299.330 3.221 40 0 biogenic,in-vitro CGABHN CCOc1cc(CN2CC[C@@H](CC)C2)ccc1OC ZINC000091929641 370081298 /nfs/dbraw/zinc/08/12/98/370081298.db2.gz ADABDHPILACLIK-CYBMUJFWSA-N 0 3 263.381 3.326 40 0 CGABHN COc1ccc2c(c1)CCN(Cc1ccccc1)C2 ZINC000097758934 370253074 /nfs/dbraw/zinc/25/30/74/370253074.db2.gz IDPLGDDZKKYYFD-UHFFFAOYSA-N 0 3 253.345 3.254 40 0 CGABHN c1nc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)c[nH]1 ZINC000257210761 190011983 /nfs/dbraw/zinc/01/19/83/190011983.db2.gz BWBDQCSIGNYLEP-CQSZACIVSA-N 0 3 292.386 3.023 40 0 CGABHN c1ncc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000257210761 190011984 /nfs/dbraw/zinc/01/19/84/190011984.db2.gz BWBDQCSIGNYLEP-CQSZACIVSA-N 0 3 292.386 3.023 40 0 CGABHN Cc1c2cc(F)ccc2[nH]c1CN1CC[C@@H](c2cc[nH]n2)C1 ZINC000257212017 190013062 /nfs/dbraw/zinc/01/30/62/190013062.db2.gz CBOSETXNGDZEHB-GFCCVEGCSA-N 0 3 298.365 3.328 40 0 CGABHN Cc1cccc(C[C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257221296 190014947 /nfs/dbraw/zinc/01/49/47/190014947.db2.gz DOJDQTRCTMPWBM-INIZCTEOSA-N 0 3 281.403 3.240 40 0 CGABHN Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2C2CCCC2)n1 ZINC000257328256 190034931 /nfs/dbraw/zinc/03/49/31/190034931.db2.gz XEWGOVCXIFHAPS-HNNXBMFYSA-N 0 3 297.406 3.255 40 0 CGABHN Cc1cnc([C@@H]2CCCN(Cc3ccccn3)C2)s1 ZINC000257342597 190037078 /nfs/dbraw/zinc/03/70/78/190037078.db2.gz ZPKKEGREWPFYSF-CYBMUJFWSA-N 0 3 273.405 3.226 40 0 CGABHN CCCOc1ccccc1[C@H](C)NC[C@H]1CCCO1 ZINC000225161948 376296662 /nfs/dbraw/zinc/29/66/62/376296662.db2.gz XJUHXZSRFBKDGD-UONOGXRCSA-N 0 3 263.381 3.305 40 0 CGABHN CCCNc1ncc([C@@H](N)c2ccccc2)cc1C ZINC000072222182 256706805 /nfs/dbraw/zinc/70/68/05/256706805.db2.gz RUFQLSGPNDRRSO-HNNXBMFYSA-N 0 3 255.365 3.260 40 0 CGABHN CN[C@@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 ZINC000022465495 391946153 /nfs/dbraw/zinc/94/61/53/391946153.db2.gz LRRGBERSAASSOC-ZDUSSCGKSA-N 0 3 273.207 3.350 40 0 CGABHN CCC[C@H](NCc1cnc(NC)nc1)c1ccccc1 ZINC000062717474 392133184 /nfs/dbraw/zinc/13/31/84/392133184.db2.gz JWRZXRNRNVRMRB-HNNXBMFYSA-N 0 3 270.380 3.149 40 0 CGABHN C[C@@H](c1ccccc1O)[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000004973172 170047193 /nfs/dbraw/zinc/04/71/93/170047193.db2.gz FJVDFCKYRXBJGP-INMHGKMJSA-N 0 3 289.419 3.387 40 0 CGABHN COc1ccc(C(=O)[C@H](CN(C)C)c2ccccc2)cc1 ZINC000006437164 170201476 /nfs/dbraw/zinc/20/14/76/170201476.db2.gz XVFCULDDSWYQLS-QGZVFWFLSA-N 0 3 283.371 3.223 40 0 CGABHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000006934319 170256570 /nfs/dbraw/zinc/25/65/70/170256570.db2.gz CEZPKIGJZWWHJT-XHDPSFHLSA-N 0 3 256.349 3.152 40 0 CGABHN Cc1c(Cl)cccc1-c1ccc(CNC[C@H](C)O)o1 ZINC000007538967 170290061 /nfs/dbraw/zinc/29/00/61/170290061.db2.gz KUWGOUGNUNNVRI-JTQLQIEISA-N 0 3 279.767 3.379 40 0 CGABHN NCc1cc(Br)ccc1OCc1ccccc1 ZINC000020483477 171223649 /nfs/dbraw/zinc/22/36/49/171223649.db2.gz FRLAPJUTCPQDCQ-UHFFFAOYSA-N 0 3 292.176 3.487 40 0 CGABHN Cc1ccc(Nc2nccc([C@H]3CCCN3C(C)C)n2)nc1 ZINC000072377455 176385609 /nfs/dbraw/zinc/38/56/09/176385609.db2.gz NLATYIRTCIFXSN-OAHLLOKOSA-N 0 3 297.406 3.469 40 0 CGABHN C[C@@H]1CCCN([C@H](CN)c2ccc(Cl)cc2)C1 ZINC000242574921 287359291 /nfs/dbraw/zinc/35/92/91/287359291.db2.gz NJLPFISAWFGTMU-BXUZGUMPSA-N 0 3 252.789 3.072 40 0 CGABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](N)c1ccccc1 ZINC000072208713 278387039 /nfs/dbraw/zinc/38/70/39/278387039.db2.gz UNGCJHBVTMJSNS-HUUCEWRRSA-N 0 3 290.407 3.476 40 0 CGABHN C[C@H]1CCCN([C@@H](CN)c2ccc(Br)cc2)C1 ZINC000022166023 290452924 /nfs/dbraw/zinc/45/29/24/290452924.db2.gz HTUFBLYJYHUCRK-FZMZJTMJSA-N 0 3 297.240 3.181 40 0 CGABHN c1ccc(CN(Cc2ccccn2)C[C@H]2CCOC2)cc1 ZINC000072398436 526468456 /nfs/dbraw/zinc/46/84/56/526468456.db2.gz WPFLSAYKHQXLTG-QGZVFWFLSA-N 0 3 282.387 3.120 40 0 CGABHN C[C@H]1C[C@H]2CN(Cc3ccc4ccccc4n3)CC[C@@H]2O1 ZINC000096070525 185086393 /nfs/dbraw/zinc/08/63/93/185086393.db2.gz RBFGSLAVALTHFZ-YEWWUXTCSA-N 0 3 282.387 3.234 40 0 CGABHN COC[C@H]1COCCC12CCN(Cc1cccs1)CC2 ZINC000096106253 185098733 /nfs/dbraw/zinc/09/87/33/185098733.db2.gz FEFIPINEQHBXHG-AWEZNQCLSA-N 0 3 295.448 3.013 40 0 CGABHN OCCN[C@@H](Cc1ccccc1)c1ccccc1Cl ZINC000001666260 368427989 /nfs/dbraw/zinc/42/79/89/368427989.db2.gz DGPTUOCACJKOGN-INIZCTEOSA-N 0 3 275.779 3.206 40 0 CGABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCCC1 ZINC000002694455 368473060 /nfs/dbraw/zinc/47/30/60/368473060.db2.gz KCXDJIWVKTZZAH-GJZGRUSLSA-N 0 3 277.408 3.036 40 0 CGABHN COC(=O)/C(=C\c1ccc(Cl)cc1)CN1CCCCC1 ZINC000005340842 368561829 /nfs/dbraw/zinc/56/18/29/368561829.db2.gz KDNZTTATNGKRIP-KAMYIIQDSA-N 0 3 293.794 3.382 40 0 CGABHN COc1ccccc1OCCNCc1ccc2[nH]ccc2c1 ZINC000015424213 368695386 /nfs/dbraw/zinc/69/53/86/368695386.db2.gz NGICOCXTHGKXMB-UHFFFAOYSA-N 0 3 296.370 3.345 40 0 CGABHN Cc1ccc(CNCc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000013998408 368672651 /nfs/dbraw/zinc/67/26/51/368672651.db2.gz HNFDCDCAJIORPL-UHFFFAOYSA-N 0 3 292.382 3.435 40 0 CGABHN Cc1ccc(CN(C)C)c([C@@H](O)c2ccccc2)c1 ZINC000017380256 368733282 /nfs/dbraw/zinc/73/32/82/368733282.db2.gz HNFLYAXDXOQHQS-KRWDZBQOSA-N 0 3 255.361 3.138 40 0 CGABHN Cc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1 ZINC000019237275 368745587 /nfs/dbraw/zinc/74/55/87/368745587.db2.gz JMOVCCJFWOMGLP-ZWKOTPCHSA-N 0 3 285.362 3.406 40 0 CGABHN COC(=O)CN(C1CCCCC1)C1CCCCC1 ZINC000020368404 368807427 /nfs/dbraw/zinc/80/74/27/368807427.db2.gz HHYPEAOPTICQSM-UHFFFAOYSA-N 0 3 253.386 3.127 40 0 CGABHN CN(C)CCN(Cc1ccsc1)Cc1cccs1 ZINC000023247843 368818240 /nfs/dbraw/zinc/81/82/40/368818240.db2.gz DVPARCIXDIXELP-UHFFFAOYSA-N 0 3 280.462 3.373 40 0 CGABHN O[C@H](CNCc1ccccc1)c1ccc(Cl)cc1 ZINC000026897958 368864754 /nfs/dbraw/zinc/86/47/54/368864754.db2.gz APTMYAYREOUIFX-OAHLLOKOSA-N 0 3 261.752 3.163 40 0 CGABHN COCCCNCc1ccccc1OC1CCCC1 ZINC000032113243 368925188 /nfs/dbraw/zinc/92/51/88/368925188.db2.gz UGPYCJHOVSCNSS-UHFFFAOYSA-N 0 3 263.381 3.134 40 0 CGABHN C[C@H]1CCCN([C@@H](CN)c2ccc(Cl)cc2)C1 ZINC000038860467 369147434 /nfs/dbraw/zinc/14/74/34/369147434.db2.gz NJLPFISAWFGTMU-FZMZJTMJSA-N 0 3 252.789 3.072 40 0 CGABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccc2ccccc2c1 ZINC000088611784 370036917 /nfs/dbraw/zinc/03/69/17/370036917.db2.gz GPXKIJMETNRECD-OAHLLOKOSA-N 0 3 286.375 3.364 40 0 CGABHN Cc1nccc([C@H]2CCCN(CCc3ccc(F)cc3)C2)n1 ZINC000257248162 190019817 /nfs/dbraw/zinc/01/98/17/190019817.db2.gz JCKBHPVZPCODGC-INIZCTEOSA-N 0 3 299.393 3.346 40 0 CGABHN Cc1ccsc1CN1CCC(c2cnccn2)CC1 ZINC000257268257 190023645 /nfs/dbraw/zinc/02/36/45/190023645.db2.gz MKWLCUGEWIZKEA-UHFFFAOYSA-N 0 3 273.405 3.226 40 0 CGABHN c1[nH]c2ccccc2c1CN1CCC(c2cnccn2)CC1 ZINC000257263107 190022453 /nfs/dbraw/zinc/02/24/53/190022453.db2.gz LOKLNUHJGSEREJ-UHFFFAOYSA-N 0 3 292.386 3.338 40 0 CGABHN Cc1nccc([C@H]2CCCN(Cc3ccsc3)C2)n1 ZINC000257278238 190025400 /nfs/dbraw/zinc/02/54/00/190025400.db2.gz OBKQJYRHCAUSSP-AWEZNQCLSA-N 0 3 273.405 3.226 40 0 CGABHN CC(C)n1nccc1CN1CCC[C@H]1CCc1ccncc1 ZINC000257288061 190027309 /nfs/dbraw/zinc/02/73/09/190027309.db2.gz PSQFMJJLHSCDRD-KRWDZBQOSA-N 0 3 298.434 3.456 40 0 CGABHN Cc1csc(Nc2cccc(C3CCN(C)CC3)n2)n1 ZINC000257311159 190032340 /nfs/dbraw/zinc/03/23/40/190032340.db2.gz UIFSLZQJHXVVLI-UHFFFAOYSA-N 0 3 288.420 3.399 40 0 CGABHN CN1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257319276 190033299 /nfs/dbraw/zinc/03/32/99/190033299.db2.gz VRQOZFKITYQNOR-CYBMUJFWSA-N 0 3 274.339 3.214 40 0 CGABHN Fc1ccc(N2CCN(C3Cc4ccccc4C3)CC2)cc1 ZINC000225207752 376298941 /nfs/dbraw/zinc/29/89/41/376298941.db2.gz PAQNXKFYEKKZTL-UHFFFAOYSA-N 0 3 296.389 3.115 40 0 CGABHN CN(C)CCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000255187256 377740200 /nfs/dbraw/zinc/74/02/00/377740200.db2.gz CIPPMFYHLFJVNE-UHFFFAOYSA-N 0 3 279.689 3.493 40 0 CGABHN OC1/C(=C/c2ccccc2)CNC/C1=C/c1ccccc1 ZINC000001624823 285242527 /nfs/dbraw/zinc/24/25/27/285242527.db2.gz ZYPHMHISTJAFFJ-MJZABRMRSA-N 0 3 277.367 3.118 40 0 CGABHN CN(c1ccccc1)c1ncccc1C1=NCCC1 ZINC000072214239 256713090 /nfs/dbraw/zinc/71/30/90/256713090.db2.gz PVROVIXUHNDQDY-UHFFFAOYSA-N 0 3 251.333 3.432 40 0 CGABHN CC(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220571 391954622 /nfs/dbraw/zinc/95/46/22/391954622.db2.gz KYYGBOLBXWBOAP-CQSZACIVSA-N 0 3 294.826 3.077 40 0 CGABHN Cc1cc([C@@H](N)c2ccccc2)cnc1Br ZINC000072221925 392201935 /nfs/dbraw/zinc/20/19/35/392201935.db2.gz LXTHAIGPIADPJN-LBPRGKRZSA-N 0 3 277.165 3.201 40 0 CGABHN Cc1cc2[nH]c(C3=CCN(C)CC3)nc2cc1Cl ZINC000073636244 392213271 /nfs/dbraw/zinc/21/32/71/392213271.db2.gz COBFCDJGCJJMIE-UHFFFAOYSA-N 0 3 261.756 3.244 40 0 CGABHN CCN(CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000006384795 170196552 /nfs/dbraw/zinc/19/65/52/170196552.db2.gz WQYKRGOOOWDXBD-NSHDSACASA-N 0 3 268.788 3.317 40 0 CGABHN O=Cc1ccc(OCCCN2CCCCCC2)cc1 ZINC000008731496 170351190 /nfs/dbraw/zinc/35/11/90/170351190.db2.gz RZTLQVUOXMNATH-UHFFFAOYSA-N 0 3 261.365 3.144 40 0 CGABHN Fc1ccccc1CN1CC[C@H](c2nc3cccnc3[nH]2)C1 ZINC000035442893 172202877 /nfs/dbraw/zinc/20/28/77/172202877.db2.gz PSRZHRROKHILLW-ZDUSSCGKSA-N 0 3 296.349 3.087 40 0 biogenic,in-vitro CGABHN C[C@@H]1CCCN(Cc2ccc(N)cc2Br)C1 ZINC000037460440 173224408 /nfs/dbraw/zinc/22/44/08/173224408.db2.gz UKSFEDFIBQWRBQ-SNVBAGLBSA-N 0 3 283.213 3.263 40 0 CGABHN CSCc1cccc(NC2CCN(C)CC2)c1 ZINC000072226357 176343238 /nfs/dbraw/zinc/34/32/38/176343238.db2.gz LOTADARSOBXDLV-UHFFFAOYSA-N 0 3 250.411 3.056 40 0 CGABHN CCNCc1c(C)nc2ccc(N(C)C)cc2c1Cl ZINC000001562583 276266950 /nfs/dbraw/zinc/26/69/50/276266950.db2.gz ZUFRPRBXHAIGGZ-UHFFFAOYSA-N 0 3 277.799 3.372 40 0 CGABHN COc1cccc(OC)c1[C@@H]1CCCN1CC(C)C ZINC000072221424 295311194 /nfs/dbraw/zinc/31/11/94/295311194.db2.gz REGAZJSOJUWIKR-ZDUSSCGKSA-N 0 3 263.381 3.497 40 0 CGABHN CC(C)[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096073250 185087831 /nfs/dbraw/zinc/08/78/31/185087831.db2.gz GBJPLBMBBLKMJF-OAHLLOKOSA-N 0 3 263.381 3.307 40 0 CGABHN C[C@H](N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 ZINC000143778725 346115365 /nfs/dbraw/zinc/11/53/65/346115365.db2.gz BRTIHPMUDVKVLP-JTQLQIEISA-N 0 3 299.761 3.059 40 0 CGABHN CCCCNCc1c(Cl)nc2sc(C)cn12 ZINC000256052981 346399771 /nfs/dbraw/zinc/39/97/71/346399771.db2.gz PNIUOXYEPFHXGR-UHFFFAOYSA-N 0 3 257.790 3.247 40 0 CGABHN Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3)cs2)cc1 ZINC000585266940 346725970 /nfs/dbraw/zinc/72/59/70/346725970.db2.gz XKWKMAVVRYEBMH-LBPRGKRZSA-N 0 3 287.388 3.128 40 0 CGABHN O=C(CNC1CCCCC1)Nc1cccc(Cl)c1 ZINC000001671426 368428993 /nfs/dbraw/zinc/42/89/93/368428993.db2.gz YZUMXFCMVRVXQZ-UHFFFAOYSA-N 0 3 266.772 3.201 40 0 CGABHN CN(C)CCN(Cc1cccs1)Cc1cccc(F)c1 ZINC000023247837 368818707 /nfs/dbraw/zinc/81/87/07/368818707.db2.gz DKIBJLPOYGTKNB-UHFFFAOYSA-N 0 3 292.423 3.451 40 0 CGABHN Cc1ccccc1CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067801166 369730842 /nfs/dbraw/zinc/73/08/42/369730842.db2.gz VBNHPAWKAZXPSA-OAHLLOKOSA-N 0 3 290.407 3.094 40 0 CGABHN CC(C)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1 ZINC000079030379 369960298 /nfs/dbraw/zinc/96/02/98/369960298.db2.gz VOCOGITZMGEHNU-UHFFFAOYSA-N 0 3 271.763 3.171 40 0 CGABHN CC(C)Sc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000113959147 370488971 /nfs/dbraw/zinc/48/89/71/370488971.db2.gz IAHJRSHTTAEKBY-UHFFFAOYSA-N 0 3 292.448 3.011 40 0 CGABHN Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2)n1 ZINC000257197638 190009927 /nfs/dbraw/zinc/00/99/27/190009927.db2.gz FJTRFZYKQUJGPF-ZDUSSCGKSA-N 0 3 288.782 3.194 40 0 CGABHN c1nc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)c[nH]1 ZINC000257210760 190012612 /nfs/dbraw/zinc/01/26/12/190012612.db2.gz BWBDQCSIGNYLEP-AWEZNQCLSA-N 0 3 292.386 3.023 40 0 CGABHN c1ncc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)[nH]1 ZINC000257210760 190012613 /nfs/dbraw/zinc/01/26/13/190012613.db2.gz BWBDQCSIGNYLEP-AWEZNQCLSA-N 0 3 292.386 3.023 40 0 CGABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1cccc(C)n1 ZINC000257217634 190013677 /nfs/dbraw/zinc/01/36/77/190013677.db2.gz CZWFJBAXHREUQL-OAHLLOKOSA-N 0 3 270.380 3.149 40 0 CGABHN Cc1cc(C)nc([C@@H]2CCN(Cc3cccs3)C2)n1 ZINC000257254969 190020976 /nfs/dbraw/zinc/02/09/76/190020976.db2.gz KFNUVPBWFUJSBJ-CYBMUJFWSA-N 0 3 273.405 3.144 40 0 CGABHN COc1ccccc1CN1CC[C@H](Cc2nccs2)C1 ZINC000257318161 190032581 /nfs/dbraw/zinc/03/25/81/190032581.db2.gz VMSWCVFCLDGABF-CYBMUJFWSA-N 0 3 288.416 3.216 40 0 CGABHN CCn1c(C)ccc1CNCc1ccc(OC)cc1 ZINC000226019227 376338894 /nfs/dbraw/zinc/33/88/94/376338894.db2.gz KHCYXSXVQIVSLH-UHFFFAOYSA-N 0 3 258.365 3.115 40 0 CGABHN COCCN[C@H](C)c1ccc(OC2CCCC2)cc1 ZINC000225169622 376296857 /nfs/dbraw/zinc/29/68/57/376296857.db2.gz IHQXSSYJPQBXJF-CYBMUJFWSA-N 0 3 263.381 3.305 40 0 CGABHN CC[C@H](C)Oc1ccc([C@H](C)NCCOC)cc1 ZINC000225169790 376297258 /nfs/dbraw/zinc/29/72/58/376297258.db2.gz PEMSCOJQOXXGFM-STQMWFEESA-N 0 3 251.370 3.161 40 0 CGABHN CC[C@@H](C)Oc1cccc([C@H](C)NCCOC)c1 ZINC000225166499 376297569 /nfs/dbraw/zinc/29/75/69/376297569.db2.gz WGJOCJASYBSMEE-OLZOCXBDSA-N 0 3 251.370 3.161 40 0 CGABHN CN1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000248079709 377265710 /nfs/dbraw/zinc/26/57/10/377265710.db2.gz ACSZNQVPNYRNTG-RTBURBONSA-N 0 3 296.414 3.127 40 0 CGABHN Cc1cc([C@@H]2CCCCN2C)cnc1N1CCCC1 ZINC000072218814 392200007 /nfs/dbraw/zinc/20/00/07/392200007.db2.gz HTWDJDNYYMJXDO-HNNXBMFYSA-N 0 3 259.397 3.147 40 0 CGABHN COc1cc(CNC[C@@H]2CCCO2)cc2ccccc21 ZINC000096527844 392259189 /nfs/dbraw/zinc/25/91/89/392259189.db2.gz OQZCFQXRQRTQFW-HNNXBMFYSA-N 0 3 271.360 3.117 40 0 CGABHN COc1cc2c(cc1OC)[C@H](CC(C)C)N(C)CC2 ZINC000003848583 286260526 /nfs/dbraw/zinc/26/05/26/286260526.db2.gz XLYGKISSKFHOEE-AWEZNQCLSA-N 0 3 263.381 3.279 40 0 CGABHN Cc1cncc([C@@H]2CCCN(CCOc3ccccc3)C2)n1 ZINC000072385393 176389797 /nfs/dbraw/zinc/38/97/97/176389797.db2.gz HIJZZJWFYADRJD-MRXNPFEDSA-N 0 3 297.402 3.043 40 0 CGABHN CO[C@H]1CCN(Cc2cccc3ccccc32)[C@H]2CCO[C@@H]21 ZINC000096215830 274080519 /nfs/dbraw/zinc/08/05/19/274080519.db2.gz JZVDREQPBACFHY-FHWLQOOXSA-N 0 3 297.398 3.218 40 0 CGABHN CCCC[C@@H](CC)[C@@H]1OC[C@H](CN2CCCC2)O1 ZINC000004124581 278722514 /nfs/dbraw/zinc/72/25/14/278722514.db2.gz YGCPCVLTZNXDDJ-QLFBSQMISA-N 0 3 255.402 3.040 40 0 CGABHN Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2C2CCCC2)n1 ZINC000257328257 301034274 /nfs/dbraw/zinc/03/42/74/301034274.db2.gz XEWGOVCXIFHAPS-OAHLLOKOSA-N 0 3 297.406 3.255 40 0 CGABHN O=C1Nc2ccccc2C12CCN(Cc1cccs1)CC2 ZINC000096052472 185073905 /nfs/dbraw/zinc/07/39/05/185073905.db2.gz XWVMPIVTZRUCHZ-UHFFFAOYSA-N 0 3 298.411 3.234 40 0 CGABHN CC(C)[C@H]1COC2(C1)CCN(Cc1ccncc1F)CC2 ZINC000096072970 185087799 /nfs/dbraw/zinc/08/77/99/185087799.db2.gz CLNPOIXXVKSDCH-OAHLLOKOSA-N 0 3 292.398 3.248 40 0 CGABHN COCC[C@H]1CCOC12CCN(Cc1cccs1)CC2 ZINC000585103445 346724277 /nfs/dbraw/zinc/72/42/77/346724277.db2.gz WIUJSUYTNFFUGX-AWEZNQCLSA-N 0 3 295.448 3.156 40 0 CGABHN C[C@H](CC(O)(c1cccs1)c1cccs1)N(C)C ZINC000001700293 368433070 /nfs/dbraw/zinc/43/30/70/368433070.db2.gz KUYLKQQSZDJZSA-LLVKDONJSA-N 0 3 281.446 3.386 40 0 CGABHN C[C@H]1CCCN([C@@H](CN)c2ccccc2Br)C1 ZINC000019471584 368754500 /nfs/dbraw/zinc/75/45/00/368754500.db2.gz IBLBHSHLRDRWHD-FZMZJTMJSA-N 0 3 297.240 3.181 40 0 CGABHN CC[C@H](C)Oc1ccccc1CNC[C@H]1CCCO1 ZINC000066115695 369688780 /nfs/dbraw/zinc/68/87/80/369688780.db2.gz BUTNOOXYCKSCCH-DZGCQCFKSA-N 0 3 263.381 3.133 40 0 CGABHN CN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 ZINC000072358361 369817697 /nfs/dbraw/zinc/81/76/97/369817697.db2.gz IQZMCBJYRVGMQV-CYBMUJFWSA-N 0 3 271.339 3.092 40 0 CGABHN Cc1ccc(Cl)cc1NC(=O)CC1CCN(C)CC1 ZINC000074921007 369890749 /nfs/dbraw/zinc/89/07/49/369890749.db2.gz POFQENNDSMITLR-UHFFFAOYSA-N 0 3 280.799 3.319 40 0 CGABHN CN1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)C1 ZINC000082337875 370002762 /nfs/dbraw/zinc/00/27/62/370002762.db2.gz HHUIMFXANRBIGA-SECBINFHSA-N 0 3 287.190 3.274 40 0 CGABHN CC(C)N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC000096189518 370207329 /nfs/dbraw/zinc/20/73/29/370207329.db2.gz AMGXADFTJMLWPT-UHFFFAOYSA-N 0 3 299.418 3.073 40 0 CGABHN Cc1cc(C)nc(Nc2cccc(C3CCN(C)CC3)n2)n1 ZINC000257328236 190034585 /nfs/dbraw/zinc/03/45/85/190034585.db2.gz XETKCDHJUCLTIA-UHFFFAOYSA-N 0 3 297.406 3.041 40 0 CGABHN N[C@H](COCC1CC1)c1cccc(C(F)(F)F)c1 ZINC000020264024 391940179 /nfs/dbraw/zinc/94/01/79/391940179.db2.gz IDPUFXPEPXQSEY-GFCCVEGCSA-N 0 3 259.271 3.132 40 0 CGABHN CSc1ncc(CN[C@@H](C)CCc2ccccc2)cn1 ZINC000062717257 392133230 /nfs/dbraw/zinc/13/32/30/392133230.db2.gz ONONDBGTCKQEAD-ZDUSSCGKSA-N 0 3 287.432 3.309 40 0 CGABHN CNc1ncccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072212526 392197502 /nfs/dbraw/zinc/19/75/02/392197502.db2.gz CEVNGCRQIWKGSU-MRXNPFEDSA-N 0 3 267.376 3.460 40 0 CGABHN CC(C)N1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215982 392200648 /nfs/dbraw/zinc/20/06/48/392200648.db2.gz BHOPRJPFQJPFAT-HNNXBMFYSA-N 0 3 259.397 3.227 40 0 CGABHN CC[C@@H](c1ccccc1)N(C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079418743 392220794 /nfs/dbraw/zinc/22/07/94/392220794.db2.gz QQCFCPRAFRZOIS-HOTGVXAUSA-N 0 3 276.424 3.358 40 0 CGABHN S=C(NCCN1CCCCC1)Nc1ccccc1Cl ZINC000008380379 170334292 /nfs/dbraw/zinc/33/42/92/170334292.db2.gz XGDXNAZJRJLXHH-UHFFFAOYSA-N 0 3 297.855 3.112 40 0 CGABHN CC1=C(C(=S)NC(=O)c2ccccc2)C2N=CC=CC2=C1 ZINC000016739536 170711267 /nfs/dbraw/zinc/71/12/67/170711267.db2.gz NVNSANUNIOLIEC-OAHLLOKOSA-N 0 3 294.379 3.010 40 0 CGABHN CC(C)C[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441121 173210074 /nfs/dbraw/zinc/21/00/74/173210074.db2.gz WKHWVBBIIZLYIH-VIFPVBQESA-N 0 3 282.185 3.371 40 0 CGABHN CC(C)C[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441121 173210076 /nfs/dbraw/zinc/21/00/76/173210076.db2.gz WKHWVBBIIZLYIH-VIFPVBQESA-N 0 3 282.185 3.371 40 0 CGABHN CC(C)c1nccn1-c1cccc(C2CCN(C)CC2)n1 ZINC000072378670 176386080 /nfs/dbraw/zinc/38/60/80/176386080.db2.gz ARHIDINSVNDHOZ-UHFFFAOYSA-N 0 3 284.407 3.200 40 0 CGABHN Cc1cccc(CN2CCC[C@H](Cc3ccccn3)C2)n1 ZINC000072385806 176390645 /nfs/dbraw/zinc/39/06/45/176390645.db2.gz VRCTUQZEIJFFRV-MRXNPFEDSA-N 0 3 281.403 3.240 40 0 CGABHN NC[C@H](c1cccc(Cl)c1Cl)N1CCCC1 ZINC000019511686 295264492 /nfs/dbraw/zinc/26/44/92/295264492.db2.gz PWQNYCVVZIVXLA-LLVKDONJSA-N 0 3 259.180 3.089 40 0 CGABHN