smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1cc(=O)n(Cc2ncc(-c3ccccc3)o2)cn1 ZINC000160735679 372271313 /nfs/dbraw/zinc/27/13/13/372271313.db2.gz YQFSPGNLUCOCSA-UHFFFAOYSA-N 0 0 295.342 3.070 50 70 CGIARN O=S(=O)(Cl)c1cccc2c(Cl)nc(Cl)cc21 ZINC000100642781 534973787 /nfs/dbraw/zinc/97/37/87/534973787.db2.gz MCAMLDGQQKKPOI-UHFFFAOYSA-N 0 0 296.562 3.469 50 70 CGIARN Cc1cc(C(=O)N(C)[C@@H](C)c2ccncn2)ccc1Cl ZINC000218089660 376185016 /nfs/dbraw/zinc/18/50/16/376185016.db2.gz XALYYZFQKZYJOI-NSHDSACASA-N 0 0 289.766 3.272 50 70 CGIARN Cc1ccc(C)c(C(=O)NCC[C@H](O)c2ccsc2)c1 ZINC000217525578 376174849 /nfs/dbraw/zinc/17/48/49/376174849.db2.gz OGTUXCVMRKRUQJ-HNNXBMFYSA-N 0 0 289.400 3.218 50 70 CGIARN CCCC(CCC)C(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000218706990 392997300 /nfs/dbraw/zinc/99/73/00/392997300.db2.gz FSFVFFAANOTYHB-HNNXBMFYSA-N 0 0 289.423 3.399 50 70 CGIARN CC[C@H](NC(=O)c1cccc2cc(C)oc21)[C@H]1C[C@H](O)C1 ZINC000218746448 393000042 /nfs/dbraw/zinc/00/00/42/393000042.db2.gz VDNSIXMFGRMLQW-GUTXKFCHSA-N 0 0 287.359 3.021 50 70 CGIARN c1ccc([C@@H]2C[C@@H](Nc3ccccn3)CCO2)cc1 ZINC000160629723 330870318 /nfs/dbraw/zinc/87/03/18/330870318.db2.gz RWAGVDPTYJPTOJ-GJZGRUSLSA-N 0 0 254.333 3.414 50 70 CGIARN O=C(NCC[C@@H](O)c1ccsc1)c1cccc(Cl)c1 ZINC000217526893 376174104 /nfs/dbraw/zinc/17/41/04/376174104.db2.gz JPQOUHPGBJGCGA-CYBMUJFWSA-N 0 0 295.791 3.255 50 70 CGIARN COc1cccc([C@H]2SCCN2C(=O)c2ccoc2)c1 ZINC000217638905 376177650 /nfs/dbraw/zinc/17/76/50/376177650.db2.gz ZUUOSIQKEHBOCR-OAHLLOKOSA-N 0 0 289.356 3.176 50 70 CGIARN Cc1cc(C(=O)N(C)[C@H](C)c2ccncn2)ccc1Cl ZINC000218089748 376185333 /nfs/dbraw/zinc/18/53/33/376185333.db2.gz XALYYZFQKZYJOI-LLVKDONJSA-N 0 0 289.766 3.272 50 70 CGIARN Cc1ccc(CCC(=O)NCCCc2cccnc2)cc1C ZINC000218215610 189713613 /nfs/dbraw/zinc/71/36/13/189713613.db2.gz SEMBTYXBWSFXMU-UHFFFAOYSA-N 0 0 296.414 3.380 50 70 CGIARN C[C@@H](Nc1nnc(C(F)(F)F)s1)c1ccncc1 ZINC000160320814 372237867 /nfs/dbraw/zinc/23/78/67/372237867.db2.gz VNXYAKRRZZQDKN-ZCFIWIBFSA-N 0 0 274.271 3.125 50 70 CGIARN c1ccc([C@H]2C[C@H](Nc3ccccn3)CCO2)cc1 ZINC000160629600 372263395 /nfs/dbraw/zinc/26/33/95/372263395.db2.gz RWAGVDPTYJPTOJ-HUUCEWRRSA-N 0 0 254.333 3.414 50 70 CGIARN C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000217448132 376174800 /nfs/dbraw/zinc/17/48/00/376174800.db2.gz IDYBAJHUOOKQIE-CHWSQXEVSA-N 0 0 270.376 3.471 50 70 CGIARN O=C(NCCC[C@H]1CCOC1)c1cccc(-c2ccco2)c1 ZINC000218668918 392998213 /nfs/dbraw/zinc/99/82/13/392998213.db2.gz VFIJLLRCFCNGAQ-AWEZNQCLSA-N 0 0 299.370 3.493 50 70 CGIARN COc1ccc([C@H]2SCCN2C(=O)NC(C)(C)C)cc1 ZINC000217629141 189710870 /nfs/dbraw/zinc/71/08/70/189710870.db2.gz DLWOZGBESVIOIX-CYBMUJFWSA-N 0 0 294.420 3.251 50 70 CGIARN C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000159667971 372165938 /nfs/dbraw/zinc/16/59/38/372165938.db2.gz WOJCMIATHXQSOQ-QMTHXVAHSA-N 0 0 270.332 3.112 50 70 CGIARN O=C(NCC[C@@H](O)c1ccsc1)Nc1ccccc1F ZINC000217545223 376176261 /nfs/dbraw/zinc/17/62/61/376176261.db2.gz CIWLJZRKGZPGBN-CYBMUJFWSA-N 0 0 294.351 3.132 50 70 CGIARN CC(C)C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C ZINC000218253082 376186986 /nfs/dbraw/zinc/18/69/86/376186986.db2.gz KSGOBBVDHFCJCH-AWEZNQCLSA-N 0 0 273.380 3.043 50 70 CGIARN CC[C@@H](NC(=O)c1ccccc1SC)c1ccnn1C ZINC000218745934 392999466 /nfs/dbraw/zinc/99/94/66/392999466.db2.gz LYJZSQGZUZLFEI-GFCCVEGCSA-N 0 0 289.404 3.023 50 70 CGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccs1 ZINC000217719047 346291098 /nfs/dbraw/zinc/29/10/98/346291098.db2.gz YFTJTJIXOLRDJI-QYJAPNMZSA-N 0 0 296.461 3.316 50 70 CGIARN Cc1nc(CC(=O)N2CCCCCCC2)c(C)s1 ZINC000161223757 372311532 /nfs/dbraw/zinc/31/15/32/372311532.db2.gz RGOJAEISCCFLSC-UHFFFAOYSA-N 0 0 266.410 3.095 50 70 CGIARN O=C(/C=C/c1ccccc1)NCC[C@H](O)c1ccsc1 ZINC000217525385 376174962 /nfs/dbraw/zinc/17/49/62/376174962.db2.gz WNMVUMWWNGWTJW-LFAOLKIESA-N 0 0 287.384 3.001 50 70 CGIARN CC[C@@H](NC(=O)c1cccc(O)c1C)c1cccc(C)n1 ZINC000218055334 376183258 /nfs/dbraw/zinc/18/32/58/376183258.db2.gz YBVYRZZTCBSPBT-CQSZACIVSA-N 0 0 284.359 3.285 50 70 CGIARN Cc1cc(C(=O)NC[C@@H]2CCCN2c2ccccc2)c(C)o1 ZINC000217807852 346291966 /nfs/dbraw/zinc/29/19/66/346291966.db2.gz HPDPDXNPALXYTI-INIZCTEOSA-N 0 0 298.386 3.295 50 70 CGIARN Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccc(C)cc1C ZINC000159778939 372179844 /nfs/dbraw/zinc/17/98/44/372179844.db2.gz KUMVKXLCNDVHKT-UHFFFAOYSA-N 0 0 285.391 3.388 50 70 CGIARN C[C@](O)(CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000217992820 376181698 /nfs/dbraw/zinc/18/16/98/376181698.db2.gz KOXDVVYXSVMVMY-ACJLOTCBSA-N 0 0 299.370 3.113 50 70 CGIARN CCOc1ccc(NC(=O)Nc2ccn3nccc3c2)cc1 ZINC000217958892 392996149 /nfs/dbraw/zinc/99/61/49/392996149.db2.gz GOZBRPFFUWYPHL-UHFFFAOYSA-N 0 0 296.330 3.377 50 70 CGIARN CC(C)(C)C[C@@H](NC(=O)c1cccnc1)c1cccnc1 ZINC000218726930 392999294 /nfs/dbraw/zinc/99/92/94/392999294.db2.gz IHZOLXFGRRAZSD-OAHLLOKOSA-N 0 0 283.375 3.384 50 70 CGIARN C[SiH](C)c1c(Cl)cc(Cl)c([SiH](C)C)c1Cl ZINC000169817461 397660175 /nfs/dbraw/zinc/66/01/75/397660175.db2.gz UKZIBJGYEQPZIU-UHFFFAOYSA-N 0 0 297.761 3.034 50 70 CGIARN O=C(NCCCc1ccccc1)Nc1ccn2nccc2c1 ZINC000217960975 189712665 /nfs/dbraw/zinc/71/26/65/189712665.db2.gz SJXMVRDBCRWRAR-UHFFFAOYSA-N 0 0 294.358 3.089 50 70 CGIARN CCOC1CCN(C(=O)c2ccc(SC)cc2)CC1 ZINC000218226852 189713868 /nfs/dbraw/zinc/71/38/68/189713868.db2.gz VIRGODJKRIYKEU-UHFFFAOYSA-N 0 0 279.405 3.050 50 70 CGIARN O=C(N[C@H]1COC2(C1)CCCCC2)c1ccc2cc[nH]c2c1 ZINC000218417908 376187154 /nfs/dbraw/zinc/18/71/54/376187154.db2.gz RFPRYYAAABXKQQ-OAHLLOKOSA-N 0 0 298.386 3.390 50 70 CGIARN O=C(Cc1ccccn1)N1CC[C@@H](C2CCCCC2)C1 ZINC000217681806 189711529 /nfs/dbraw/zinc/71/15/29/189711529.db2.gz KZSPMJFBRVEBRP-OAHLLOKOSA-N 0 0 272.392 3.053 50 70 CGIARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)c(C)n1C ZINC000218243885 376186821 /nfs/dbraw/zinc/18/68/21/376186821.db2.gz JALKWYCBXCBJDS-MRXNPFEDSA-N 0 0 283.375 3.014 50 70 CGIARN O=C(NCc1ccco1)c1ccc(F)c(-n2cccc2)c1 ZINC000218468778 542286797 /nfs/dbraw/zinc/28/67/97/542286797.db2.gz FJESSRITVJLHRW-UHFFFAOYSA-N 0 0 284.290 3.139 50 70 CGIARN CC[C@H](C(=O)Nc1ccn2nccc2c1)c1ccccc1 ZINC000217954936 392996006 /nfs/dbraw/zinc/99/60/06/392996006.db2.gz VXZVYZRXTMURRF-INIZCTEOSA-N 0 0 279.343 3.467 50 70 CGIARN C[C@@](O)(CNC(=O)CC1CC1)c1cc2ccccc2s1 ZINC000217508561 376174219 /nfs/dbraw/zinc/17/42/19/376174219.db2.gz ALKRQDXMPWGACR-MRXNPFEDSA-N 0 0 289.400 3.025 50 70 CGIARN CCSc1ccc(C(=O)NC[C@H]2CCCCO2)s1 ZINC000217162360 189708394 /nfs/dbraw/zinc/70/83/94/189708394.db2.gz ICMYMRBJJXOPML-SNVBAGLBSA-N 0 0 285.434 3.159 50 70 CGIARN O=C(Cc1ccsc1)N1CC[C@@H]1c1ccc(F)cc1 ZINC000218400553 376187759 /nfs/dbraw/zinc/18/77/59/376187759.db2.gz GEQZICOAZIBNBL-CQSZACIVSA-N 0 0 275.348 3.403 50 70 CGIARN O=C(NCc1ccco1)c1cc(-n2cccc2)ccc1F ZINC000218507819 542286863 /nfs/dbraw/zinc/28/68/63/542286863.db2.gz DXCJFCGUQZHFJM-UHFFFAOYSA-N 0 0 284.290 3.139 50 70 CGIARN c1ccc([SiH](c2ccccc2)[C@H]2C=CCCC2)cc1 ZINC000169817492 397660171 /nfs/dbraw/zinc/66/01/71/397660171.db2.gz AHRSESUBHOMUCD-SFHVURJKSA-N 0 0 264.444 3.138 50 70 CGIARN Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1)CC(=O)O2 ZINC000218055629 278749630 /nfs/dbraw/zinc/74/96/30/278749630.db2.gz WIZIBPQWGYNEIG-NSHDSACASA-N 0 0 290.702 3.043 50 70 biogenic CGIARN Cc1cc(F)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000160722501 232246550 /nfs/dbraw/zinc/24/65/50/232246550.db2.gz DMUXBOLSOQQJNC-UHFFFAOYSA-N 0 0 277.270 3.291 50 70 CGIARN Cc1sc(Cl)nc1C(=O)NCCc1ccccc1 ZINC000218226401 189713594 /nfs/dbraw/zinc/71/35/94/189713594.db2.gz VHLYXYDIRXOYBW-UHFFFAOYSA-N 0 0 280.780 3.077 50 70 CGIARN Nc1nnc(SCc2ccc(C(F)(F)F)o2)s1 ZINC000218707810 392998224 /nfs/dbraw/zinc/99/82/24/392998224.db2.gz PUAHPRLSWLGTSI-UHFFFAOYSA-N 0 0 281.284 3.024 50 70 CGIARN COC[C@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000217059179 566906541 /nfs/dbraw/zinc/90/65/41/566906541.db2.gz YYRULRUQNIGKAF-ZDUSSCGKSA-N 0 0 299.370 3.044 50 70 CGIARN COc1ccc([C@@H]2SCCN2C(=O)c2ccco2)cc1 ZINC000217627893 189710710 /nfs/dbraw/zinc/71/07/10/189710710.db2.gz UQLMYURIIOKQEM-HNNXBMFYSA-N 0 0 289.356 3.176 50 70 CGIARN CC(C)Cc1nc2cc(NC(=O)c3cccnc3)ccc2[nH]1 ZINC000218508767 542286867 /nfs/dbraw/zinc/28/68/67/542286867.db2.gz VQLMIZMDWMDSNS-UHFFFAOYSA-N 0 0 294.358 3.409 50 70 CGIARN C[SiH](c1ccccc1)c1ccccc1-c1ccccc1 ZINC000169817499 397660207 /nfs/dbraw/zinc/66/02/07/397660207.db2.gz FHKRYCOXOXRUFR-UHFFFAOYSA-N 0 0 274.439 3.325 50 70 CGIARN CC(C)C[C@@H]1CC(=O)Oc2c3ccccc3oc(=O)c21 ZINC000217658409 376177425 /nfs/dbraw/zinc/17/74/25/376177425.db2.gz UNDINCYYLPXUOF-SNVBAGLBSA-N 0 0 272.300 3.232 50 70 biogenic CGIARN Cc1cccc([C@@H]2CCCN2C(=O)C2=C(C)OCCC2)n1 ZINC000159749510 302024248 /nfs/dbraw/zinc/02/42/48/302024248.db2.gz KHAJILFAGFRYHU-INIZCTEOSA-N 0 0 286.375 3.138 50 70 CGIARN COc1ccc([C@H]2SCCN2C(=O)c2ccco2)cc1 ZINC000217627810 376177264 /nfs/dbraw/zinc/17/72/64/376177264.db2.gz UQLMYURIIOKQEM-OAHLLOKOSA-N 0 0 289.356 3.176 50 70 CGIARN CO[C@H]1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 ZINC000218345000 376186582 /nfs/dbraw/zinc/18/65/82/376186582.db2.gz RLFXDWHIXBWMHJ-HNNXBMFYSA-N 0 0 299.345 3.354 50 70 CGIARN CC[C@H](NC(=O)c1ccccc1SC)c1ccnn1C ZINC000218745971 392999259 /nfs/dbraw/zinc/99/92/59/392999259.db2.gz LYJZSQGZUZLFEI-LBPRGKRZSA-N 0 0 289.404 3.023 50 70 CGIARN O=C(NCC[C@H](O)c1ccsc1)c1cccc(Cl)c1 ZINC000217526787 376173884 /nfs/dbraw/zinc/17/38/84/376173884.db2.gz JPQOUHPGBJGCGA-ZDUSSCGKSA-N 0 0 295.791 3.255 50 70 CGIARN CC(C)(C)C[C@H](NC(=O)c1cccnc1)c1cccnc1 ZINC000218727008 392999898 /nfs/dbraw/zinc/99/98/98/392999898.db2.gz IHZOLXFGRRAZSD-HNNXBMFYSA-N 0 0 283.375 3.384 50 70 CGIARN Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1)CC(=O)O2 ZINC000218055682 280671218 /nfs/dbraw/zinc/67/12/18/280671218.db2.gz WIZIBPQWGYNEIG-LLVKDONJSA-N 0 0 290.702 3.043 50 70 biogenic CGIARN O=C(/C=C/c1ccsc1)NCC[C@H](O)c1ccsc1 ZINC000217533378 376174312 /nfs/dbraw/zinc/17/43/12/376174312.db2.gz PEQQGEYQFQSLIC-AORQRIRUSA-N 0 0 293.413 3.063 50 70 CGIARN O=C(N[C@H]1COC2(CCCC2)C1)c1cnc2ccccc2c1 ZINC000218419727 376186673 /nfs/dbraw/zinc/18/66/73/376186673.db2.gz UNCKKBRDORBMOX-OAHLLOKOSA-N 0 0 296.370 3.066 50 70 CGIARN Cc1ccc(C)c(C(=O)NCCCC[C@@H]2CCCO2)c1 ZINC000218338817 189714357 /nfs/dbraw/zinc/71/43/57/189714357.db2.gz YDNUGBNYZPGNBL-OAHLLOKOSA-N 0 0 275.392 3.383 50 70 CGIARN O=C(N[C@@H]1COC2(CCCC2)C1)c1cnc2ccccc2c1 ZINC000218419656 284126788 /nfs/dbraw/zinc/12/67/88/284126788.db2.gz UNCKKBRDORBMOX-HNNXBMFYSA-N 0 0 296.370 3.066 50 70 CGIARN COc1ccc([C@@H]2SCCN2C(=O)NC(C)(C)C)cc1 ZINC000217629216 376177974 /nfs/dbraw/zinc/17/79/74/376177974.db2.gz DLWOZGBESVIOIX-ZDUSSCGKSA-N 0 0 294.420 3.251 50 70 CGIARN CO[C@@H]1CCN(C(=O)c2ccccc2-c2ccc(F)cc2)C1 ZINC000218344936 376187627 /nfs/dbraw/zinc/18/76/27/376187627.db2.gz RLFXDWHIXBWMHJ-OAHLLOKOSA-N 0 0 299.345 3.354 50 70 CGIARN CCN(Cc1cnn(C(C)C)c1)C(=O)Cc1ccsc1 ZINC000218742377 392999327 /nfs/dbraw/zinc/99/93/27/392999327.db2.gz CETGSDYVGPQDMU-UHFFFAOYSA-N 0 0 291.420 3.117 50 70 CGIARN c1ccc([SiH](c2ccccc2)[C@@H]2C=CCCC2)cc1 ZINC000169817493 397660182 /nfs/dbraw/zinc/66/01/82/397660182.db2.gz AHRSESUBHOMUCD-GOSISDBHSA-N 0 0 264.444 3.138 50 70 CGIARN C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000159667696 188436507 /nfs/dbraw/zinc/43/65/07/188436507.db2.gz WOJCMIATHXQSOQ-YGRLFVJLSA-N 0 0 270.332 3.112 50 70 CGIARN Cc1nc(NC(=O)CC2=CCCCC2)cc(C2CC2)n1 ZINC000159989745 372201405 /nfs/dbraw/zinc/20/14/05/372201405.db2.gz RAYHDAITOQCKCP-UHFFFAOYSA-N 0 0 271.364 3.491 50 70 CGIARN COc1ccc(C)cc1C(=O)N[C@@H](C)c1ncccc1C ZINC000218477870 376188433 /nfs/dbraw/zinc/18/84/33/376188433.db2.gz TXFLRXCLVHUUPK-ZDUSSCGKSA-N 0 0 284.359 3.198 50 70 CGIARN O=C(Cc1ccc2c(c1)OCC2)Nc1ccc2[nH]ccc2c1 ZINC000218075421 376183509 /nfs/dbraw/zinc/18/35/09/376183509.db2.gz VRULUGCQMJOMKO-UHFFFAOYSA-N 0 0 292.338 3.284 50 70 biogenic CGIARN CSC[C@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159605992 346167607 /nfs/dbraw/zinc/16/76/07/346167607.db2.gz ASHGETNXWMABEF-JTQLQIEISA-N 0 0 298.358 3.039 50 70 CGIARN CC[C@@H](NC(=O)CCSC)c1nc(C)c(C)s1 ZINC000218253301 376187122 /nfs/dbraw/zinc/18/71/22/376187122.db2.gz DOZIQCGBINVAQC-SNVBAGLBSA-N 0 0 272.439 3.080 50 70 CGIARN CC(C)(C)C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217497203 376174151 /nfs/dbraw/zinc/17/41/51/376174151.db2.gz JYLWQUCGMGMGCL-INIZCTEOSA-N 0 0 291.416 3.271 50 70 CGIARN CCOc1ccc(C(=O)N2CCC[C@H]2c2ccccn2)o1 ZINC000217500967 376174550 /nfs/dbraw/zinc/17/45/50/376174550.db2.gz KMXHSAKUHJIGOK-ZDUSSCGKSA-N 0 0 286.331 3.051 50 70 CGIARN Cc1ccc(CCC(=O)N[C@@H](C)Cc2cccnc2)cc1C ZINC000217651589 376176451 /nfs/dbraw/zinc/17/64/51/376176451.db2.gz PVZMRIIMTSREOI-INIZCTEOSA-N 0 0 296.414 3.378 50 70 CGIARN CC(C)[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C ZINC000218355144 376186800 /nfs/dbraw/zinc/18/68/00/376186800.db2.gz FURGIIHTYQDSDE-HNNXBMFYSA-N 0 0 297.358 3.293 50 70 CGIARN CC[C@H](NC(=O)c1cccc(O)c1C)c1cccc(C)n1 ZINC000218055397 189713271 /nfs/dbraw/zinc/71/32/71/189713271.db2.gz YBVYRZZTCBSPBT-AWEZNQCLSA-N 0 0 284.359 3.285 50 70 CGIARN O=C1C[C@@H](C2CCCCC2)c2cc3c(cc2O1)OCO3 ZINC000217674806 280268759 /nfs/dbraw/zinc/26/87/59/280268759.db2.gz HLDMNXGVNMYMCK-NSHDSACASA-N 0 0 274.316 3.388 50 70 biogenic CGIARN Fc1ccccc1OCCn1nc(C2CC2)nc1C1CC1 ZINC000161447178 321867947 /nfs/dbraw/zinc/86/79/47/321867947.db2.gz WOJHLHXOVJRJMX-UHFFFAOYSA-N 0 0 287.338 3.251 50 70 CGIARN O=C(NCC1(c2ccsc2)CCCC1)C1CCC1 ZINC000217479558 189710086 /nfs/dbraw/zinc/71/00/86/189710086.db2.gz KBFCDWVZHIEQRK-UHFFFAOYSA-N 0 0 263.406 3.476 50 70 CGIARN O=C(NCCc1ccncc1)C1(c2ccccc2)CCCC1 ZINC000217012771 376171461 /nfs/dbraw/zinc/17/14/61/376171461.db2.gz UELNENIQSHXJHW-UHFFFAOYSA-N 0 0 294.398 3.252 50 70 CGIARN Cc1ccc(CNC(=O)[C@H](C)n2ccnc2C(C)C)s1 ZINC000218283407 376187648 /nfs/dbraw/zinc/18/76/48/376187648.db2.gz ZGQBZELZVTWAOW-LBPRGKRZSA-N 0 0 291.420 3.254 50 70 CGIARN Cc1ccc(C)c(CC(=O)N(C)CC[C@@H]2CCCCO2)c1 ZINC000217778326 262344440 /nfs/dbraw/zinc/34/44/40/262344440.db2.gz AYNASUJXGTWEPF-KRWDZBQOSA-N 0 0 289.419 3.264 50 70 CGIARN CC(C)(C)NC(=O)N1CCS[C@@H]1c1ccsc1 ZINC000217636702 278362055 /nfs/dbraw/zinc/36/20/55/278362055.db2.gz HEFQQWPWQRXWJN-SNVBAGLBSA-N 0 0 270.423 3.304 50 70 CGIARN CC[C@H](NC(=O)c1oc(C)cc1C)c1c(C)noc1C ZINC000160207890 372224719 /nfs/dbraw/zinc/22/47/19/372224719.db2.gz WROAZBANCQMOHP-LBPRGKRZSA-N 0 0 276.336 3.382 50 70 CGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC000217588590 376176352 /nfs/dbraw/zinc/17/63/52/376176352.db2.gz IPYLJDGXURTLFT-FOSCPWQOSA-N 0 0 267.419 3.247 50 70 CGIARN CCc1nccc(CN(C)Cc2cccc(SC)c2)n1 ZINC000217180536 392994105 /nfs/dbraw/zinc/99/41/05/392994105.db2.gz AEZVULLNDQFWJO-UHFFFAOYSA-N 0 0 287.432 3.393 50 70 CGIARN CC[C@H](NC(=O)CCSC)c1nc(C)c(C)s1 ZINC000218253359 189714314 /nfs/dbraw/zinc/71/43/14/189714314.db2.gz DOZIQCGBINVAQC-JTQLQIEISA-N 0 0 272.439 3.080 50 70 CGIARN Cc1cc(NC(=O)c2ccc(C(C)(C)C)s2)n[nH]1 ZINC000159637725 372165007 /nfs/dbraw/zinc/16/50/07/372165007.db2.gz NELGEGIOPBJZNG-UHFFFAOYSA-N 0 0 263.366 3.329 50 70 CGIARN CC(C)(C)n1ccc(C(=O)NCCCc2ccncc2)c1 ZINC000218175129 376184952 /nfs/dbraw/zinc/18/49/52/376184952.db2.gz XHHCIOQGMAPJNF-UHFFFAOYSA-N 0 0 285.391 3.001 50 70 CGIARN c1ccc([C@H]2C[C@@H](Nc3ccccn3)CCO2)cc1 ZINC000160629819 372262387 /nfs/dbraw/zinc/26/23/87/372262387.db2.gz RWAGVDPTYJPTOJ-LSDHHAIUSA-N 0 0 254.333 3.414 50 70 CGIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccccc1Cl ZINC000217526667 376174860 /nfs/dbraw/zinc/17/48/60/376174860.db2.gz GEPIUTMWSOOXSA-CYBMUJFWSA-N 0 0 295.791 3.255 50 70 CGIARN CC(C)(C)C(=O)NCc1cncc(-c2ccsc2)c1 ZINC000217690369 376179097 /nfs/dbraw/zinc/17/90/97/376179097.db2.gz IQMBXPAWTZSLMW-UHFFFAOYSA-N 0 0 274.389 3.472 50 70 CGIARN Cc1ccc(C(=O)N(C)[C@H](C)Cc2ccsc2)cc1N ZINC000161463063 346175878 /nfs/dbraw/zinc/17/58/78/346175878.db2.gz AGQQWAXUXLCYBE-GFCCVEGCSA-N 0 0 288.416 3.342 50 70 CGIARN CC(C)c1csc(C(=O)N(C)[C@H](C)c2ccon2)n1 ZINC000217623914 392994637 /nfs/dbraw/zinc/99/46/37/392994637.db2.gz WKVOKTQZNNTWCQ-SECBINFHSA-N 0 0 279.365 3.088 50 70 CGIARN CC(C)(C)NC(=O)N1CCS[C@H]1c1ccsc1 ZINC000217636777 278362036 /nfs/dbraw/zinc/36/20/36/278362036.db2.gz HEFQQWPWQRXWJN-JTQLQIEISA-N 0 0 270.423 3.304 50 70 CGIARN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C[C@H](O)C(C)C)o1 ZINC000161503246 188531960 /nfs/dbraw/zinc/53/19/60/188531960.db2.gz ZIEYUBSCVLYHPA-SNPRPXQTSA-N 0 0 293.407 3.295 50 70 CGIARN O=C(NCC1(CO)CCCC1)c1cc2ccccc2s1 ZINC000160297113 372235516 /nfs/dbraw/zinc/23/55/16/372235516.db2.gz SCMKGAWJCBXSDO-UHFFFAOYSA-N 0 0 289.400 3.184 50 70 CGIARN O=C(/C=C/c1ccsc1)NCC[C@@H](O)c1ccsc1 ZINC000217533459 376174113 /nfs/dbraw/zinc/17/41/13/376174113.db2.gz PEQQGEYQFQSLIC-ZIYVKSGCSA-N 0 0 293.413 3.063 50 70 CGIARN Cc1ccc(C)c(C(=O)NCC[C@@H](O)c2ccsc2)c1 ZINC000217525664 376175063 /nfs/dbraw/zinc/17/50/63/376175063.db2.gz OGTUXCVMRKRUQJ-OAHLLOKOSA-N 0 0 289.400 3.218 50 70 CGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC000217588037 376177536 /nfs/dbraw/zinc/17/75/36/376177536.db2.gz CMRYNOPFLGPFIL-FOSCPWQOSA-N 0 0 255.427 3.308 50 70 CGIARN O=C(Cc1ccsc1)N1CC[C@H]1c1ccc(F)cc1 ZINC000218400629 376186713 /nfs/dbraw/zinc/18/67/13/376186713.db2.gz GEQZICOAZIBNBL-AWEZNQCLSA-N 0 0 275.348 3.403 50 70 CGIARN CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(O)cc1 ZINC000218509865 542286303 /nfs/dbraw/zinc/28/63/03/542286303.db2.gz ZMPIOHFSSXSERI-ZDUSSCGKSA-N 0 0 263.337 3.464 50 70 CGIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccccc1)CC(=O)O2 ZINC000217766458 275506169 /nfs/dbraw/zinc/50/61/69/275506169.db2.gz HIUTUMGESXTECA-CYBMUJFWSA-N 0 0 282.295 3.036 50 70 biogenic CGIARN CC(C)C[C@H]1CC(=O)Oc2c3ccccc3oc(=O)c21 ZINC000217658490 275598873 /nfs/dbraw/zinc/59/88/73/275598873.db2.gz UNDINCYYLPXUOF-JTQLQIEISA-N 0 0 272.300 3.232 50 70 biogenic CGIARN Cc1noc2nc3c(c(C(=O)NC4CCCCC4)c12)CCC3 ZINC000218300283 279259226 /nfs/dbraw/zinc/25/92/26/279259226.db2.gz DSYPIRKHMWFHHH-UHFFFAOYSA-N 0 0 299.374 3.082 50 70 CGIARN Cc1ccccc1[C@H]1CCCN(C(=O)Cc2ccccn2)C1 ZINC000217109502 189708211 /nfs/dbraw/zinc/70/82/11/189708211.db2.gz GBSAAPUHZOHFDC-INIZCTEOSA-N 0 0 294.398 3.339 50 70 CGIARN Cc1oncc1C(=O)NCC1(c2ccsc2)CCCC1 ZINC000217570060 189710976 /nfs/dbraw/zinc/71/09/76/189710976.db2.gz CMMZRXUUQFPMST-UHFFFAOYSA-N 0 0 290.388 3.286 50 70 CGIARN Cc1cc(C(=O)NCc2cncc(-c3ccsc3)c2)no1 ZINC000217690479 376179712 /nfs/dbraw/zinc/17/97/12/376179712.db2.gz NMKXQYRGAXSMRP-UHFFFAOYSA-N 0 0 299.355 3.037 50 70 CGIARN CSC[C@@H](CCO)Nc1ccnc2c(F)cc(F)cc12 ZINC000159605846 346167566 /nfs/dbraw/zinc/16/75/66/346167566.db2.gz ASHGETNXWMABEF-SNVBAGLBSA-N 0 0 298.358 3.039 50 70 CGIARN Cc1oncc1NC(=O)c1cc(C)cc(Cl)c1 ZINC000161020072 188503644 /nfs/dbraw/zinc/50/36/44/188503644.db2.gz JVYFZBCZSGUYSG-UHFFFAOYSA-N 0 0 250.685 3.197 50 70 CGIARN CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)o1 ZINC000217500891 189710496 /nfs/dbraw/zinc/71/04/96/189710496.db2.gz KMXHSAKUHJIGOK-CYBMUJFWSA-N 0 0 286.331 3.051 50 70 CGIARN CCCCOc1ccccc1C(=O)N(C)Cc1ccon1 ZINC000217389932 376173209 /nfs/dbraw/zinc/17/32/09/376173209.db2.gz UNMRTZQIRJGRJU-UHFFFAOYSA-N 0 0 288.347 3.126 50 70 CGIARN COc1ccc(C)cc1C(=O)N[C@H](C)c1ncccc1C ZINC000218477947 376188593 /nfs/dbraw/zinc/18/85/93/376188593.db2.gz TXFLRXCLVHUUPK-CYBMUJFWSA-N 0 0 284.359 3.198 50 70 CGIARN CCCC[C@@H]1CCC[N@@H+]1Cc1cc(C(C)=O)cn1C ZINC000217946380 376181749 /nfs/dbraw/zinc/18/17/49/376181749.db2.gz NOCIXUDWWOOYLC-OAHLLOKOSA-N 0 0 262.397 3.382 50 70 CGIARN C[SiH](c1ccccc1)c1cccc(-c2ccccc2)c1 ZINC000169817093 542179057 /nfs/dbraw/zinc/17/90/57/542179057.db2.gz SMMURDAITYGGTM-UHFFFAOYSA-N 0 0 274.439 3.325 50 70 CGIARN C[SiH](c1ccccc1)c1ccc(Oc2ccccc2)cc1 ZINC000169817081 542179104 /nfs/dbraw/zinc/17/91/04/542179104.db2.gz SAGQBWOWZQLSMH-UHFFFAOYSA-N 0 0 290.438 3.450 50 70 CGIARN CC[C@@H](C(=O)Nc1ccncc1F)c1ccc(F)cc1 ZINC000161459136 521876571 /nfs/dbraw/zinc/87/65/71/521876571.db2.gz MZTDTEYJDJPUDS-GFCCVEGCSA-N 0 0 276.286 3.492 50 70 CGIARN Cc1ccc(CCNC(=O)c2cc3ccccc3n2C)o1 ZINC000218321962 189714308 /nfs/dbraw/zinc/71/43/08/189714308.db2.gz XAVRVNPDEZREEQ-UHFFFAOYSA-N 0 0 282.343 3.052 50 70 CGIARN COc1cccc([C@@H]2SCCN2C(=O)c2ccoc2)c1 ZINC000217638999 376177412 /nfs/dbraw/zinc/17/74/12/376177412.db2.gz ZUUOSIQKEHBOCR-HNNXBMFYSA-N 0 0 289.356 3.176 50 70 CGIARN C[C@](O)(CNC(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000217983381 376181687 /nfs/dbraw/zinc/18/16/87/376181687.db2.gz VYEYLMGPPNSZCL-SFHVURJKSA-N 0 0 295.338 3.070 50 70 CGIARN C[C@](O)(CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000217992662 376181735 /nfs/dbraw/zinc/18/17/35/376181735.db2.gz KOXDVVYXSVMVMY-UGSOOPFHSA-N 0 0 299.370 3.113 50 70 CGIARN CN(CCCC1CCCC1)c1cc(C2CC(O)C2)ncn1 ZINC000218762294 376190155 /nfs/dbraw/zinc/19/01/55/376190155.db2.gz SEKMYFWIMQINHH-UHFFFAOYSA-N 0 0 289.423 3.122 50 70 CGIARN Cc1nccc(CNC(=O)CC2CCC(C)(C)CC2)n1 ZINC000159822782 372185319 /nfs/dbraw/zinc/18/53/19/372185319.db2.gz LWKBYZYOTRYDHJ-UHFFFAOYSA-N 0 0 275.396 3.008 50 70 CGIARN Cc1cc(-c2ccc(Cn3ccnc3)cn2)ccc1O ZINC000217525900 376174669 /nfs/dbraw/zinc/17/46/69/376174669.db2.gz OOOBOQCPESIHHC-UHFFFAOYSA-N 0 0 265.316 3.007 50 70 CGIARN C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000159668090 188436267 /nfs/dbraw/zinc/43/62/67/188436267.db2.gz WOJCMIATHXQSOQ-IINYFYTJSA-N 0 0 270.332 3.112 50 70 CGIARN O=C(N[C@@H]1COC2(C1)CCCCC2)c1ccc2cc[nH]c2c1 ZINC000218417823 376187518 /nfs/dbraw/zinc/18/75/18/376187518.db2.gz RFPRYYAAABXKQQ-HNNXBMFYSA-N 0 0 298.386 3.390 50 70 CGIARN C(=C/[SiH](c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000169817097 542179186 /nfs/dbraw/zinc/17/91/86/542179186.db2.gz OLQCHFRSXXLYAI-WUKNDPDISA-N 0 0 286.450 3.281 50 70 CGIARN CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(O)cc1 ZINC000218509792 542286781 /nfs/dbraw/zinc/28/67/81/542286781.db2.gz ZMPIOHFSSXSERI-CYBMUJFWSA-N 0 0 263.337 3.464 50 70 CGIARN CC[C@H](C(=O)Nc1ccncc1F)c1ccc(F)cc1 ZINC000161459016 523804777 /nfs/dbraw/zinc/80/47/77/523804777.db2.gz MZTDTEYJDJPUDS-LBPRGKRZSA-N 0 0 276.286 3.492 50 70 CGIARN COC[C@@H]1CCCN(C(=O)c2cc3ccccc3cc2O)C1 ZINC000217059145 566906577 /nfs/dbraw/zinc/90/65/77/566906577.db2.gz YYRULRUQNIGKAF-CYBMUJFWSA-N 0 0 299.370 3.044 50 70 CGIARN O=C(NCC[C@H]1CCCCO1)c1cc(F)cc(Cl)c1 ZINC000217134507 570307637 /nfs/dbraw/zinc/30/76/37/570307637.db2.gz XXGQLAZNXWXXGI-CYBMUJFWSA-N 0 0 285.746 3.168 50 70 CGIARN c1ccc(OCCn2nc(C3CC3)nc2C2CC2)cc1 ZINC000161474110 372326949 /nfs/dbraw/zinc/32/69/49/372326949.db2.gz YDRPIRQUCHAROP-UHFFFAOYSA-N 0 0 269.348 3.112 50 70 CGIARN c1ccc([C@@H]2C[C@H](Nc3ccccn3)CCO2)cc1 ZINC000160629469 372263172 /nfs/dbraw/zinc/26/31/72/372263172.db2.gz RWAGVDPTYJPTOJ-CABCVRRESA-N 0 0 254.333 3.414 50 70 CGIARN Cc1ccc(C)c(C(=O)NCCCC[C@H]2CCCO2)c1 ZINC000218338892 376187471 /nfs/dbraw/zinc/18/74/71/376187471.db2.gz YDNUGBNYZPGNBL-HNNXBMFYSA-N 0 0 275.392 3.383 50 70 CGIARN O=C(NC1CC1)c1sc(Cl)nc1-c1ccccc1 ZINC000218507405 542286393 /nfs/dbraw/zinc/28/63/93/542286393.db2.gz UGTGFHILUHMOPD-UHFFFAOYSA-N 0 0 278.764 3.356 50 70 CGIARN Cc1ccc(C(=O)N(C)[C@@H](C)Cc2ccsc2)cc1N ZINC000161462937 346175838 /nfs/dbraw/zinc/17/58/38/346175838.db2.gz AGQQWAXUXLCYBE-LBPRGKRZSA-N 0 0 288.416 3.342 50 70 CGIARN FC(F)(F)c1nnc(NCC2CCSCC2)s1 ZINC000160172986 372220082 /nfs/dbraw/zinc/22/00/82/372220082.db2.gz VOUSIRVNRJQKQG-UHFFFAOYSA-N 0 0 283.344 3.112 50 70 CGIARN O=C(NCC[C@H](O)c1ccsc1)Nc1ccccc1F ZINC000217545139 376176272 /nfs/dbraw/zinc/17/62/72/376176272.db2.gz CIWLJZRKGZPGBN-ZDUSSCGKSA-N 0 0 294.351 3.132 50 70 CGIARN CCOc1ccc(C(=O)NCc2cc3ccccc3[nH]2)o1 ZINC000217720871 376180091 /nfs/dbraw/zinc/18/00/91/376180091.db2.gz RTJXBDQZNGCYOC-UHFFFAOYSA-N 0 0 284.315 3.090 50 70 CGIARN Cc1cccc2oc(CNC(=O)CCC(F)(F)F)nc21 ZINC000218747221 392999825 /nfs/dbraw/zinc/99/98/25/392999825.db2.gz QERZASBFYBYXIZ-UHFFFAOYSA-N 0 0 286.253 3.095 50 70 CGIARN c1ccc([SiH](c2ccccc2)C2CCCCC2)cc1 ZINC000169817496 397660187 /nfs/dbraw/zinc/66/01/87/397660187.db2.gz RFRKHQYSHYFYGE-UHFFFAOYSA-N 0 0 266.460 3.362 50 70 CGIARN CC[C@@H](NC(=O)c1oc(C)cc1C)c1c(C)noc1C ZINC000160208011 372225552 /nfs/dbraw/zinc/22/55/52/372225552.db2.gz WROAZBANCQMOHP-GFCCVEGCSA-N 0 0 276.336 3.382 50 70 CGIARN CSc1ncccc1C(=O)N1C[C@@H]2CC(C)=CC[C@@H]2C1 ZINC000218601107 392997961 /nfs/dbraw/zinc/99/79/61/392997961.db2.gz JJDNLYGDTUQKJU-OLZOCXBDSA-N 0 0 288.416 3.232 50 70 CGIARN CCCC(CCC)C(=O)N1CCC[C@@H](c2ccncn2)C1 ZINC000218706920 392998190 /nfs/dbraw/zinc/99/81/90/392998190.db2.gz FSFVFFAANOTYHB-OAHLLOKOSA-N 0 0 289.423 3.399 50 70 CGIARN O=C([C@@H]1C[C@H]1c1ccccc1)N1CC(Oc2ccccc2)C1 ZINC000217007489 189707622 /nfs/dbraw/zinc/70/76/22/189707622.db2.gz QCHJSYUEKXQQRV-ZWKOTPCHSA-N 0 0 293.366 3.080 50 70 CGIARN CN(Cc1ccon1)C(=O)CCCc1c[nH]c2ccccc12 ZINC000217465537 376174296 /nfs/dbraw/zinc/17/42/96/376174296.db2.gz NZCHAVXOJGRHCS-UHFFFAOYSA-N 0 0 297.358 3.137 50 70 CGIARN O=C(/C=C/c1ccccc1)NCC[C@@H](O)c1ccsc1 ZINC000217525470 376174612 /nfs/dbraw/zinc/17/46/12/376174612.db2.gz WNMVUMWWNGWTJW-LQYUOIDQSA-N 0 0 287.384 3.001 50 70 CGIARN O=C(CCSc1ccccc1)Nc1ccn2nccc2c1 ZINC000217956544 392995966 /nfs/dbraw/zinc/99/59/66/392995966.db2.gz UFELQOLYTDAGRT-UHFFFAOYSA-N 0 0 297.383 3.455 50 70 CGIARN CCSc1ccc(C(=O)NC[C@@H]2CCCCO2)s1 ZINC000217162352 189708238 /nfs/dbraw/zinc/70/82/38/189708238.db2.gz ICMYMRBJJXOPML-JTQLQIEISA-N 0 0 285.434 3.159 50 70 CGIARN C[C@H](Nc1nnc(C(F)(F)F)s1)c1ccncc1 ZINC000160320710 372238170 /nfs/dbraw/zinc/23/81/70/372238170.db2.gz VNXYAKRRZZQDKN-LURJTMIESA-N 0 0 274.271 3.125 50 70 CGIARN O=C(NCC[C@@H]1CCCCO1)c1cc(F)cc(Cl)c1 ZINC000217134496 570307549 /nfs/dbraw/zinc/30/75/49/570307549.db2.gz XXGQLAZNXWXXGI-ZDUSSCGKSA-N 0 0 285.746 3.168 50 70 CGIARN C[C@](O)(CNC(=O)CC1CC1)c1cc2ccccc2s1 ZINC000217508645 189710470 /nfs/dbraw/zinc/71/04/70/189710470.db2.gz ALKRQDXMPWGACR-INIZCTEOSA-N 0 0 289.400 3.025 50 70 CGIARN CC[C@@H](NC(=O)c1cccc2cc(C)oc21)[C@H]1C[C@H](O)C1 ZINC000218746396 392999947 /nfs/dbraw/zinc/99/99/47/392999947.db2.gz VDNSIXMFGRMLQW-VNHYZAJKSA-N 0 0 287.359 3.021 50 70 CGIARN Cc1ccc(CNn2cc(-c3ccccc3)nc2N)cc1 ZINC000216961924 376170419 /nfs/dbraw/zinc/17/04/19/376170419.db2.gz CBFOGZNSSXSKSW-UHFFFAOYSA-N 0 0 278.359 3.184 50 70 CGIARN CCCc1cc(C(=O)N(C)Cc2nccs2)cs1 ZINC000217826296 376180118 /nfs/dbraw/zinc/18/01/18/376180118.db2.gz DYNICBVNCUBWPL-UHFFFAOYSA-N 0 0 280.418 3.429 50 70 CGIARN Fc1cccc(OCCn2nc(C3CC3)nc2C2CC2)c1 ZINC000161453396 372324820 /nfs/dbraw/zinc/32/48/20/372324820.db2.gz JGLZYIOCOMVTMS-UHFFFAOYSA-N 0 0 287.338 3.251 50 70 CGIARN O=C(NCCC[C@@H]1CCOC1)c1cccc(-c2ccco2)c1 ZINC000218668844 392998285 /nfs/dbraw/zinc/99/82/85/392998285.db2.gz VFIJLLRCFCNGAQ-CQSZACIVSA-N 0 0 299.370 3.493 50 70 CGIARN Cc1ccccc1[C@@H]1CCCN(C(=O)Cc2ccccn2)C1 ZINC000217109486 570307517 /nfs/dbraw/zinc/30/75/17/570307517.db2.gz GBSAAPUHZOHFDC-MRXNPFEDSA-N 0 0 294.398 3.339 50 70 CGIARN C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000159667833 188436228 /nfs/dbraw/zinc/43/62/28/188436228.db2.gz WOJCMIATHXQSOQ-HZMBPMFUSA-N 0 0 270.332 3.112 50 70 CGIARN C[C@@](O)(CNC(=O)[C@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000217992591 189712879 /nfs/dbraw/zinc/71/28/79/189712879.db2.gz KOXDVVYXSVMVMY-SCLBCKFNSA-N 0 0 299.370 3.113 50 70 CGIARN CC[C@@H](C(=O)Nc1ccn2nccc2c1)c1ccccc1 ZINC000217955019 376181611 /nfs/dbraw/zinc/18/16/11/376181611.db2.gz VXZVYZRXTMURRF-MRXNPFEDSA-N 0 0 279.343 3.467 50 70 CGIARN O=C(NCCn1ccc2c1cccc2Cl)c1ccccn1 ZINC000218243407 376187221 /nfs/dbraw/zinc/18/72/21/376187221.db2.gz HYVXBRBKMAYJLK-UHFFFAOYSA-N 0 0 299.761 3.120 50 70 CGIARN COc1cccc(F)c1C(=O)N[C@H](C)c1ncccc1C ZINC000218752180 392999633 /nfs/dbraw/zinc/99/96/33/392999633.db2.gz JSOBVVKVMCNTLL-LLVKDONJSA-N 0 0 288.322 3.029 50 70 CGIARN Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)c(C)n1C ZINC000218243959 189713960 /nfs/dbraw/zinc/71/39/60/189713960.db2.gz JALKWYCBXCBJDS-INIZCTEOSA-N 0 0 283.375 3.014 50 70 CGIARN Cc1cccc(NC(=O)NCCSC2CCOCC2)c1 ZINC000217708603 376180374 /nfs/dbraw/zinc/18/03/74/376180374.db2.gz MUOUVMNVHOLCDY-UHFFFAOYSA-N 0 0 294.420 3.029 50 70 CGIARN Cc1ccc(CNC(=O)[C@@H](C)n2ccnc2C(C)C)s1 ZINC000218283318 376186723 /nfs/dbraw/zinc/18/67/23/376186723.db2.gz ZGQBZELZVTWAOW-GFCCVEGCSA-N 0 0 291.420 3.254 50 70 CGIARN CCN(C[C@@H]1CCCCO1)C(=O)c1ccc2ncccc2c1 ZINC000218435517 376186770 /nfs/dbraw/zinc/18/67/70/376186770.db2.gz PWUIODHYRZYMIA-INIZCTEOSA-N 0 0 298.386 3.266 50 70 CGIARN C[SiH](c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000169817091 542179087 /nfs/dbraw/zinc/17/90/87/542179087.db2.gz SRWNWGHQXHVCRT-UHFFFAOYSA-N 0 0 274.439 3.325 50 70 CGIARN CCCn1c(C)nnc1CN(C#N)c1cccc(CC)c1 ZINC000161406360 372321929 /nfs/dbraw/zinc/32/19/29/372321929.db2.gz TWLQHHVJFJGVDG-UHFFFAOYSA-N 0 0 283.379 3.047 50 70 CGIARN Cc1noc(-c2ccsc2NC(=O)Cc2ccccc2)n1 ZINC000217648993 376176621 /nfs/dbraw/zinc/17/66/21/376176621.db2.gz XJDRUTHVWDZFCM-UHFFFAOYSA-N 0 0 299.355 3.288 50 70 CGIARN NC(=O)COc1ccc2occ(-c3ccsc3)c2c1 ZINC000218337540 376187736 /nfs/dbraw/zinc/18/77/36/376187736.db2.gz IPPZHQDEBREUKF-UHFFFAOYSA-N 0 0 273.313 3.025 50 70 CGIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)C(C)C ZINC000217778760 262344265 /nfs/dbraw/zinc/34/42/65/262344265.db2.gz FMTAKZQDHMWOFM-HNNXBMFYSA-N 0 0 286.375 3.326 50 70 biogenic CGIARN Cc1cccc([C@H]2CCCN2C(=O)C2=C(C)OCCC2)n1 ZINC000159749652 302035108 /nfs/dbraw/zinc/03/51/08/302035108.db2.gz KHAJILFAGFRYHU-MRXNPFEDSA-N 0 0 286.375 3.138 50 70 CGIARN O=C(NCCn1ccc2c1cccc2Cl)c1ccncc1 ZINC000218216981 189713770 /nfs/dbraw/zinc/71/37/70/189713770.db2.gz FLQKUZKJQAAQLY-UHFFFAOYSA-N 0 0 299.761 3.120 50 70 CGIARN CCN(Cc1cc(C(C)C)no1)Cc1ccncc1 ZINC000217045939 376171433 /nfs/dbraw/zinc/17/14/33/376171433.db2.gz DVTHIBWEKSUELS-UHFFFAOYSA-N 0 0 259.353 3.215 50 70 CGIARN COc1cccc(F)c1C(=O)N[C@@H](C)c1ncccc1C ZINC000218752137 392999757 /nfs/dbraw/zinc/99/97/57/392999757.db2.gz JSOBVVKVMCNTLL-NSHDSACASA-N 0 0 288.322 3.029 50 70 CGIARN CC(C)c1csc(C(=O)N(C)[C@@H](C)c2ccon2)n1 ZINC000217623835 278066857 /nfs/dbraw/zinc/06/68/57/278066857.db2.gz WKVOKTQZNNTWCQ-VIFPVBQESA-N 0 0 279.365 3.088 50 70 CGIARN Cc1cc(C(=O)NC[C@H]2CCCN2c2ccccc2)c(C)o1 ZINC000217807922 346291495 /nfs/dbraw/zinc/29/14/95/346291495.db2.gz HPDPDXNPALXYTI-MRXNPFEDSA-N 0 0 298.386 3.295 50 70 CGIARN C[C@@](O)(CNC(=O)c1ccccc1)c1cc2ccccc2o1 ZINC000217983318 189712984 /nfs/dbraw/zinc/71/29/84/189712984.db2.gz VYEYLMGPPNSZCL-GOSISDBHSA-N 0 0 295.338 3.070 50 70 CGIARN COc1c(=O)ccn(CC(=O)c2ccc(C(C)C)cc2)c1C ZINC000218489012 376188531 /nfs/dbraw/zinc/18/85/31/376188531.db2.gz IXWMTGMCYQOOBN-UHFFFAOYSA-N 0 0 299.370 3.172 50 70 CGIARN COc1cccc(F)c1C(=O)NCc1cccc2[nH]ccc21 ZINC000218755147 376189136 /nfs/dbraw/zinc/18/91/36/376189136.db2.gz NKPLQLDRFDRRHM-UHFFFAOYSA-N 0 0 298.317 3.246 50 70 CGIARN COCC1(CNC(=O)c2cnc3ccccc3c2)CCCC1 ZINC000218335130 376187084 /nfs/dbraw/zinc/18/70/84/376187084.db2.gz IJWQQWQWWQDWCF-UHFFFAOYSA-N 0 0 298.386 3.171 50 70 CGIARN Cc1ccc(CCC(=O)N[C@H](C)Cc2cccnc2)cc1C ZINC000217651690 376176462 /nfs/dbraw/zinc/17/64/62/376176462.db2.gz PVZMRIIMTSREOI-MRXNPFEDSA-N 0 0 296.414 3.378 50 70 CGIARN O=C(NCC[C@H](O)c1ccsc1)c1ccccc1Cl ZINC000217526568 376174839 /nfs/dbraw/zinc/17/48/39/376174839.db2.gz GEPIUTMWSOOXSA-ZDUSSCGKSA-N 0 0 295.791 3.255 50 70 CGIARN C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(Cl)s1 ZINC000218276001 376186778 /nfs/dbraw/zinc/18/67/78/376186778.db2.gz QWGHDGOGHAHMAL-QMMMGPOBSA-N 0 0 281.768 3.025 50 70 CGIARN CC(C)(C)C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217497281 376175043 /nfs/dbraw/zinc/17/50/43/376175043.db2.gz JYLWQUCGMGMGCL-MRXNPFEDSA-N 0 0 291.416 3.271 50 70 CGIARN CSc1ccc(C(=O)N(C)CC2(CO)CCCC2)cc1 ZINC000218237314 376187446 /nfs/dbraw/zinc/18/74/46/376187446.db2.gz ZMBQSGFZHMXLEL-UHFFFAOYSA-N 0 0 293.432 3.033 50 70 CGIARN N#Cc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1 ZINC000101684669 269955671 /nfs/dbraw/zinc/95/56/71/269955671.db2.gz NDDMCEPDACAXDC-UHFFFAOYSA-N 0 0 277.732 3.153 50 70 CGIARN CC1(NC(=O)NCCc2ccccc2Cl)CCC1 ZINC000160224373 372225877 /nfs/dbraw/zinc/22/58/77/372225877.db2.gz MUIWDTHPJCKTFY-UHFFFAOYSA-N 0 0 266.772 3.124 50 70 CGIARN C[C@@](O)(CNC(=O)[C@@H]1CC=CCC1)c1cc2ccccc2o1 ZINC000217992748 376181720 /nfs/dbraw/zinc/18/17/20/376181720.db2.gz KOXDVVYXSVMVMY-FZKQIMNGSA-N 0 0 299.370 3.113 50 70 CGIARN Cc1ccc(C)c(CC(=O)N(C)CC[C@H]2CCCCO2)c1 ZINC000217778407 262344534 /nfs/dbraw/zinc/34/45/34/262344534.db2.gz AYNASUJXGTWEPF-QGZVFWFLSA-N 0 0 289.419 3.264 50 70 CGIARN COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)C(C)C ZINC000217778828 262344674 /nfs/dbraw/zinc/34/46/74/262344674.db2.gz FMTAKZQDHMWOFM-OAHLLOKOSA-N 0 0 286.375 3.326 50 70 biogenic CGIARN C[SiH](c1ccccc1)c1ccc(C[Si](C)(C)C)cc1 ZINC000169817075 188666105 /nfs/dbraw/zinc/66/61/05/188666105.db2.gz LXILHXPFJKXUNN-UHFFFAOYSA-N 0 0 284.551 3.078 50 70 CGIARN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@H](O)C(C)C)o1 ZINC000161503508 372328642 /nfs/dbraw/zinc/32/86/42/372328642.db2.gz ZIEYUBSCVLYHPA-QEJZJMRPSA-N 0 0 293.407 3.295 50 70 CGIARN O=C(Cc1ccccn1)N1CC[C@H](C2CCCCC2)C1 ZINC000217681903 376179702 /nfs/dbraw/zinc/17/97/02/376179702.db2.gz KZSPMJFBRVEBRP-HNNXBMFYSA-N 0 0 272.392 3.053 50 70 CGIARN C[C@H](c1ccncn1)N(C)C(=O)c1ccc(Cl)s1 ZINC000218276075 376187251 /nfs/dbraw/zinc/18/72/51/376187251.db2.gz QWGHDGOGHAHMAL-MRVPVSSYSA-N 0 0 281.768 3.025 50 70 CGIARN COc1ccnc(CNC(=O)c2cc(C(C)C)oc2C)c1 ZINC000218600183 392997929 /nfs/dbraw/zinc/99/79/29/392997929.db2.gz LUIRBSYHLBVTCB-UHFFFAOYSA-N 0 0 288.347 3.045 50 70 CGIARN O=C1C[C@H](C2CCCCC2)c2cc3c(cc2O1)OCO3 ZINC000217674895 304647836 /nfs/dbraw/zinc/64/78/36/304647836.db2.gz HLDMNXGVNMYMCK-LLVKDONJSA-N 0 0 274.316 3.388 50 70 biogenic CGIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1F ZINC000217638772 346291130 /nfs/dbraw/zinc/29/11/30/346291130.db2.gz ATYKJZFABYMNSQ-FOSCPWQOSA-N 0 0 279.380 3.324 50 70 CGIARN CCN(C[C@H]1CCCCO1)C(=O)c1ccc2ncccc2c1 ZINC000218435599 376187728 /nfs/dbraw/zinc/18/77/28/376187728.db2.gz PWUIODHYRZYMIA-MRXNPFEDSA-N 0 0 298.386 3.266 50 70 CGIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccccc1)CC(=O)O2 ZINC000217766378 275506124 /nfs/dbraw/zinc/50/61/24/275506124.db2.gz HIUTUMGESXTECA-ZDUSSCGKSA-N 0 0 282.295 3.036 50 70 biogenic CGIARN