smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)NCC2(c3ccsc3)CCCC2)cc1F ZINC000217582792 241261111 /nfs/dbraw/zinc/26/11/11/241261111.db2.gz BOAUAHVTRSCOIY-UHFFFAOYSA-N 0 0 333.428 4.138 50 70 EIIARN C[C@H](C(=O)N(C)Cc1ccon1)c1ccc(-c2ccccc2)c(F)c1 ZINC000216979168 241230789 /nfs/dbraw/zinc/23/07/89/241230789.db2.gz VZDTVWOFENBBQT-AWEZNQCLSA-N 0 0 338.382 4.243 50 70 EIIARN C[C@@](O)(CNC(=O)Nc1ccccc1F)c1cc2ccccc2s1 ZINC000217521577 241254455 /nfs/dbraw/zinc/25/44/55/241254455.db2.gz AKUVDJPPPIPWBM-GOSISDBHSA-N 0 0 344.411 4.070 50 70 EIIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1cccc2ccccc21 ZINC000217884772 241282173 /nfs/dbraw/zinc/28/21/73/241282173.db2.gz GNPVJXBZYSGBOG-UHFFFAOYSA-N 0 0 347.443 4.195 50 70 EIIARN Clc1ccccc1CCC[SiH](c1ccccc1)c1ccccc1 ZINC000169817221 564076390 /nfs/dbraw/zinc/07/63/90/564076390.db2.gz HNXMLQUUECGAFS-UHFFFAOYSA-N 0 0 336.938 4.314 50 70 EIIARN Cc1nc([C@@H](C)N(C)C(=O)c2cc3ccccc3n2C)c(C)s1 ZINC000218404917 241318991 /nfs/dbraw/zinc/31/89/91/241318991.db2.gz FBZTVDGWNSDDDZ-LLVKDONJSA-N 0 0 327.453 4.085 50 70 EIIARN CN(Cc1noc(C2CCC2)n1)C(=O)c1ccccc1-c1ccccc1 ZINC000218277947 241310814 /nfs/dbraw/zinc/31/08/14/241310814.db2.gz DQFLURAQNCOQJU-UHFFFAOYSA-N 0 0 347.418 4.276 50 70 EIIARN O=C([C@H]1CCC[C@H](O)C1)N(CCC1=CCCCC1)Cc1ccccc1 ZINC000218565814 241331344 /nfs/dbraw/zinc/33/13/44/241331344.db2.gz GSDCRYGIIISHHJ-SFTDATJTSA-N 0 0 341.495 4.457 50 70 EIIARN O[C@@H](C[C@H]1CCCN1c1nc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000161161901 206332949 /nfs/dbraw/zinc/33/29/49/206332949.db2.gz WHCDQGMELVRZCB-WBVHZDCISA-N 0 0 344.361 4.199 50 70 EIIARN COCc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCc3sccc32)o1 ZINC000161209276 206336009 /nfs/dbraw/zinc/33/60/09/206336009.db2.gz AVCABLLPUWIYAI-JKSUJKDBSA-N 0 0 345.464 4.271 50 70 EIIARN C[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)c1cccnc1 ZINC000160506538 257955937 /nfs/dbraw/zinc/95/59/37/257955937.db2.gz KXTDMRBATYMSNQ-HNNXBMFYSA-N 0 0 339.439 4.424 50 70 EIIARN O=C(c1ccoc1)N1CCS[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000217631893 241264663 /nfs/dbraw/zinc/26/46/63/241264663.db2.gz MTYJACFNTNDGIG-CQSZACIVSA-N 0 0 327.327 4.186 50 70 EIIARN O=C(c1cc2ccccc2o1)N1CCS[C@@H]1c1cccc(F)c1 ZINC000217634009 241264996 /nfs/dbraw/zinc/26/49/96/241264996.db2.gz QYVNCQSKSILROF-GOSISDBHSA-N 0 0 327.380 4.460 50 70 EIIARN Cc1nc([C@@H](C)NC(=O)CCCc2c[nH]c3ccccc23)cs1 ZINC000217183064 241239137 /nfs/dbraw/zinc/23/91/37/241239137.db2.gz KZNOKOKOLJKSNN-GFCCVEGCSA-N 0 0 327.453 4.133 50 70 EIIARN Cc1nc([C@H](C)N(C)C(=O)c2cc3ccccc3n2C)c(C)s1 ZINC000218405010 241319252 /nfs/dbraw/zinc/31/92/52/241319252.db2.gz FBZTVDGWNSDDDZ-NSHDSACASA-N 0 0 327.453 4.085 50 70 EIIARN C[C@H](Oc1ccc2c(c1)CCCC2=O)c1nnc(-c2cccs2)o1 ZINC000160370082 564077431 /nfs/dbraw/zinc/07/74/31/564077431.db2.gz RTCGUMLAMQXNFC-NSHDSACASA-N 0 0 340.404 4.457 50 70 EIIARN C[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)c1cccnc1 ZINC000160506671 564081801 /nfs/dbraw/zinc/08/18/01/564081801.db2.gz KXTDMRBATYMSNQ-OAHLLOKOSA-N 0 0 339.439 4.424 50 70 EIIARN COc1cccc([C@@H]2SCCN2C(=O)c2cc3ccccc3o2)c1 ZINC000217637387 241264798 /nfs/dbraw/zinc/26/47/98/241264798.db2.gz UYKZYNZSOTWTOS-IBGZPJMESA-N 0 0 339.416 4.329 50 70 EIIARN O=C(COc1ccc(Cl)cc1)NCC1(c2ccsc2)CCCC1 ZINC000217482495 241253165 /nfs/dbraw/zinc/25/31/65/241253165.db2.gz UTFUYPDAJLTQRU-UHFFFAOYSA-N 0 0 349.883 4.409 50 70 EIIARN COCc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCc3sccc32)o1 ZINC000161209038 206335434 /nfs/dbraw/zinc/33/54/34/206335434.db2.gz AVCABLLPUWIYAI-HZPDHXFCSA-N 0 0 345.464 4.271 50 70 EIIARN CC(C)Sc1ccc(CC(=O)NCC[C@@H](O)c2ccsc2)cc1 ZINC000217532503 535116144 /nfs/dbraw/zinc/11/61/44/535116144.db2.gz IETXVXSUEWMRBN-QGZVFWFLSA-N 0 0 349.521 4.031 50 70 EIIARN O=C(NCc1ccc(F)c(Cl)c1)Nc1cc(F)c(F)cc1F ZINC000216913263 563980926 /nfs/dbraw/zinc/98/09/26/563980926.db2.gz CGXIYLMJUHZLNZ-UHFFFAOYSA-N 0 0 332.684 4.218 50 70 EIIARN CN(C)C(=O)Nc1ccc(C(=O)NCCC2=CCCCC2)c(Cl)c1 ZINC000159567440 564053312 /nfs/dbraw/zinc/05/33/12/564053312.db2.gz JJGSPFHHCSRBNH-UHFFFAOYSA-N 0 0 349.862 4.054 50 70 EIIARN Cn1nc(CN(C(=O)c2ccccc2F)C2CCCC2)cc1C1CC1 ZINC000217898515 241284227 /nfs/dbraw/zinc/28/42/27/241284227.db2.gz CKOZLLRHSMNFQM-UHFFFAOYSA-N 0 0 341.430 4.022 50 70 EIIARN Cc1cc(C(=O)N(Cc2cc(C3CC3)n(C)n2)C2CCCC2)c(C)o1 ZINC000217899691 241284462 /nfs/dbraw/zinc/28/44/62/241284462.db2.gz BPDYVHTUUWHSMT-UHFFFAOYSA-N 0 0 341.455 4.092 50 70 EIIARN C[C@@](O)(CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 ZINC000218004577 241290381 /nfs/dbraw/zinc/29/03/81/241290381.db2.gz FXNZFVRRLOLMOW-GOSISDBHSA-N 0 0 344.798 4.115 50 70 EIIARN COc1cccc([C@H]2SCCN2C(=O)c2cc3ccccc3o2)c1 ZINC000217637294 536913597 /nfs/dbraw/zinc/91/35/97/536913597.db2.gz UYKZYNZSOTWTOS-LJQANCHMSA-N 0 0 339.416 4.329 50 70 EIIARN CC(C)Oc1ccccc1CN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000216683156 564080423 /nfs/dbraw/zinc/08/04/23/564080423.db2.gz YONGLBBGNNNNID-HXUWFJFHSA-N 0 0 329.415 4.186 50 70 EIIARN CC1=C(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)CCCO1 ZINC000160897608 564088996 /nfs/dbraw/zinc/08/89/96/564088996.db2.gz FRCCBMQYFFSKEE-HNNXBMFYSA-N 0 0 328.437 4.044 50 70 EIIARN O=C(NCCc1ccccc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000217494624 241253301 /nfs/dbraw/zinc/25/33/01/241253301.db2.gz OFYYBYJBJDRQDC-LJQANCHMSA-N 0 0 340.442 4.348 50 70 EIIARN Cc1cc([C@@H]2CCCCN2C(=O)c2csc3c2CCCC3)no1 ZINC000218453797 241324126 /nfs/dbraw/zinc/32/41/26/241324126.db2.gz TWIMPALTAOSSIZ-INIZCTEOSA-N 0 0 330.453 4.291 50 70 EIIARN O=C(NCCc1ccccc1)c1sc(Cl)nc1-c1ccccc1 ZINC000218493531 241327050 /nfs/dbraw/zinc/32/70/50/241327050.db2.gz VKHVIVVJKWXMSX-UHFFFAOYSA-N 0 0 342.851 4.436 50 70 EIIARN COc1ccc([C@H]2SCCN2C(=O)c2ccc(Cl)s2)cc1 ZINC000217628210 536947065 /nfs/dbraw/zinc/94/70/65/536947065.db2.gz NXNSHDKALAZUGU-OAHLLOKOSA-N 0 0 339.869 4.298 50 70 EIIARN CSc1ccccc1NC(=O)c1cc(-c2csc(C)n2)cn1C ZINC000159855140 564054506 /nfs/dbraw/zinc/05/45/06/564054506.db2.gz BTMVQOHMFSHQJW-UHFFFAOYSA-N 0 0 343.477 4.431 50 70 EIIARN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 ZINC000161127755 564117519 /nfs/dbraw/zinc/11/75/19/564117519.db2.gz OZJLLWBILSQPGW-GYCJOSAFSA-N 0 0 346.452 4.085 50 70 EIIARN O=C(c1ccc2nsnc2c1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287973 241244382 /nfs/dbraw/zinc/24/43/82/241244382.db2.gz LOZZNNVDEOJCOM-MRXNPFEDSA-N 0 0 337.448 4.101 50 70 EIIARN CC1(C)CCc2cc(CC(=O)Nc3ccc4[nH]ccc4c3)ccc2O1 ZINC000217962371 241287099 /nfs/dbraw/zinc/28/70/99/241287099.db2.gz DYUFJBGJNUKYHH-UHFFFAOYSA-N 0 0 334.419 4.453 50 70 EIIARN CCCCc1ccc(NC(=O)C(=O)Nc2cccc3cccnc32)cc1 ZINC000159452072 564156921 /nfs/dbraw/zinc/15/69/21/564156921.db2.gz FEVOYPWJPLZHEQ-UHFFFAOYSA-N 0 0 347.418 4.155 50 70 EIIARN O=C(c1ccc(Cl)s1)N1CCS[C@H]1c1cccc(F)c1 ZINC000217634266 241264381 /nfs/dbraw/zinc/26/43/81/241264381.db2.gz BMZGNSDLYDRGAU-AWEZNQCLSA-N 0 0 327.833 4.428 50 70 EIIARN COc1ccccc1-c1ccc(C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000217380669 241245952 /nfs/dbraw/zinc/24/59/52/241245952.db2.gz FOWGTTBXNMKZID-GOSISDBHSA-N 0 0 339.435 4.051 50 70 EIIARN O=C(NCCc1ccccc1)NCC1(c2ccsc2)CCCC1 ZINC000217486551 241253112 /nfs/dbraw/zinc/25/31/12/241253112.db2.gz VFFGDKHIWCCJNE-UHFFFAOYSA-N 0 0 328.481 4.102 50 70 EIIARN COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)c2ccccc12 ZINC000217898507 241282600 /nfs/dbraw/zinc/28/26/00/241282600.db2.gz YIRMQSBXXXJXIP-HNNXBMFYSA-N 0 0 348.354 4.018 50 70 EIIARN C[C@@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@@H](c2ccco2)C1 ZINC000161128622 206329929 /nfs/dbraw/zinc/32/99/29/206329929.db2.gz NRNIZVUHUVFVLY-VTPJWHAVSA-N 0 0 346.452 4.022 50 70 EIIARN Cc1cccc2sc(NC(=O)c3csc([C@H]4CCCO4)n3)nc21 ZINC000160439028 564081671 /nfs/dbraw/zinc/08/16/71/564081671.db2.gz OXMDCLODSVBMIL-LLVKDONJSA-N 0 0 345.449 4.165 50 70 EIIARN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([S@@](C)=O)cc2)o1 ZINC000161127656 564117541 /nfs/dbraw/zinc/11/75/41/564117541.db2.gz OZJLLWBILSQPGW-FYSMJZIKSA-N 0 0 346.452 4.085 50 70 EIIARN COc1cccc2ccn(CCC(=O)Nc3ccc4cc[nH]c4c3)c21 ZINC000217818029 241276761 /nfs/dbraw/zinc/27/67/61/241276761.db2.gz ROGYXXVHTYHTPV-UHFFFAOYSA-N 0 0 333.391 4.160 50 70 EIIARN C[C@@H](C(=O)N(C)Cc1ccon1)c1ccc(-c2ccccc2)c(F)c1 ZINC000216979155 241231564 /nfs/dbraw/zinc/23/15/64/241231564.db2.gz VZDTVWOFENBBQT-CQSZACIVSA-N 0 0 338.382 4.243 50 70 EIIARN O=C(NCc1ccccc1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000217494744 241253466 /nfs/dbraw/zinc/25/34/66/241253466.db2.gz YGVOSPVRYOLHCO-SFHVURJKSA-N 0 0 326.415 4.305 50 70 EIIARN O=C([C@H]1CCC[C@@H](O)C1)N(CCC1=CCCCC1)Cc1ccccc1 ZINC000218297956 241312941 /nfs/dbraw/zinc/31/29/41/241312941.db2.gz GSDCRYGIIISHHJ-LEWJYISDSA-N 0 0 341.495 4.457 50 70 EIIARN Cn1c(S[C@@H]2CCCCc3ccccc32)nnc1-c1ccccn1 ZINC000159494425 225227690 /nfs/dbraw/zinc/22/76/90/225227690.db2.gz ATTYBTUFAROCOO-QGZVFWFLSA-N 0 0 336.464 4.437 50 70 EIIARN CN(Cc1ccon1)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000217056016 536484379 /nfs/dbraw/zinc/48/43/79/536484379.db2.gz GSLVVYIBKYUPGR-UHFFFAOYSA-N 0 0 344.455 4.247 50 70 EIIARN Cc1ccc([C@H]2CCCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 ZINC000161127540 564117539 /nfs/dbraw/zinc/11/75/39/564117539.db2.gz OZJLLWBILSQPGW-VOIUYBSRSA-N 0 0 346.452 4.085 50 70 EIIARN O=C(c1ccoc1)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000217641940 241264627 /nfs/dbraw/zinc/26/46/27/241264627.db2.gz QFKNAZJYDAWWCQ-AWEZNQCLSA-N 0 0 328.220 4.474 50 70 EIIARN O=C(c1ccccc1N1CCCC1)N1CCC[C@@H](c2ccccc2)C1 ZINC000216916739 241221951 /nfs/dbraw/zinc/22/19/51/241221951.db2.gz KYYHDAMYBIKJBY-LJQANCHMSA-N 0 0 334.463 4.307 50 70 EIIARN O=C(NCC[C@H](O)c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000217532004 241258052 /nfs/dbraw/zinc/25/80/52/241258052.db2.gz ULKKPUGOMSCEQH-IBGZPJMESA-N 0 0 337.444 4.269 50 70 EIIARN O=C(NCCc1ccco1)c1sc(Cl)nc1-c1ccccc1 ZINC000218435565 241321346 /nfs/dbraw/zinc/32/13/46/241321346.db2.gz FCWIKFXSURGTFQ-UHFFFAOYSA-N 0 0 332.812 4.029 50 70 EIIARN CC(C)[C@H](NC(=O)c1ccncc1)c1nc2ccccc2n1C(C)C ZINC000218248741 241309074 /nfs/dbraw/zinc/30/90/74/241309074.db2.gz LKXCHQKQGSYKEA-SFHVURJKSA-N 0 0 336.439 4.139 50 70 EIIARN Cn1c(S[C@H]2CCCCc3ccccc32)nnc1-c1ccccn1 ZINC000159494575 225227697 /nfs/dbraw/zinc/22/76/97/225227697.db2.gz ATTYBTUFAROCOO-KRWDZBQOSA-N 0 0 336.464 4.437 50 70 EIIARN CO[C@@H](CNC(=O)c1ccccc1SC)c1ccccc1Cl ZINC000218315082 536502538 /nfs/dbraw/zinc/50/25/38/536502538.db2.gz TZURMIASTUYDMA-HNNXBMFYSA-N 0 0 335.856 4.179 50 70 EIIARN COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)c2ccccc12 ZINC000217898555 536937281 /nfs/dbraw/zinc/93/72/81/536937281.db2.gz YIRMQSBXXXJXIP-OAHLLOKOSA-N 0 0 348.354 4.018 50 70 EIIARN C[C@@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)[C@H](c2ccco2)C1 ZINC000161291618 564121184 /nfs/dbraw/zinc/12/11/84/564121184.db2.gz VYHDFFOAETXVGY-HIFRSBDPSA-N 0 0 330.432 4.236 50 70 EIIARN Cc1ccc(S(=O)(=O)N2CCCC[C@H](c3ccccc3)C2)s1 ZINC000217288390 564156691 /nfs/dbraw/zinc/15/66/91/564156691.db2.gz YOTQJAKVQOTIDL-INIZCTEOSA-N 0 0 335.494 4.015 50 70 EIIARN O=C(c1ccc(Cl)s1)N1CCS[C@@H]1c1cccc(F)c1 ZINC000217634199 241266359 /nfs/dbraw/zinc/26/63/59/241266359.db2.gz BMZGNSDLYDRGAU-CQSZACIVSA-N 0 0 327.833 4.428 50 70 EIIARN O=C(CCCOCc1ccccc1)N1CCCC[C@H]1c1ccccn1 ZINC000217208291 241242864 /nfs/dbraw/zinc/24/28/64/241242864.db2.gz NIGUTOBGKCCIAI-FQEVSTJZSA-N 0 0 338.451 4.132 50 70 EIIARN O=S(=O)(/C=C/c1ccccc1)NCC1(c2ccsc2)CCCC1 ZINC000217483596 241252889 /nfs/dbraw/zinc/25/28/89/241252889.db2.gz URCVXWFIIZCOSD-UKTHLTGXSA-N 0 0 347.505 4.150 50 70 EIIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccc(-c2ccccc2)cc1 ZINC000217532089 241256918 /nfs/dbraw/zinc/25/69/18/241256918.db2.gz ULKKPUGOMSCEQH-LJQANCHMSA-N 0 0 337.444 4.269 50 70 EIIARN COc1cccc([C@H]2SCCN2C(=O)Nc2ccccc2C)c1 ZINC000217639708 536913463 /nfs/dbraw/zinc/91/34/63/536913463.db2.gz UYBVYHDAAFQVTM-QGZVFWFLSA-N 0 0 328.437 4.283 50 70 EIIARN C[C@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)c1ccccn1 ZINC000160494367 564081818 /nfs/dbraw/zinc/08/18/18/564081818.db2.gz TWRQBWZHPSPSGP-HNNXBMFYSA-N 0 0 339.439 4.424 50 70 EIIARN c1sc(C2CC2)nc1CN1CCC(OCc2ccccc2)CC1 ZINC000161394884 564125372 /nfs/dbraw/zinc/12/53/72/564125372.db2.gz IHTUJELWWZMPOM-UHFFFAOYSA-N 0 0 328.481 4.202 50 70 EIIARN Cc1ccc(S(=O)(=O)N2CCCC[C@@H](c3ccccc3)C2)s1 ZINC000217288392 564156684 /nfs/dbraw/zinc/15/66/84/564156684.db2.gz YOTQJAKVQOTIDL-MRXNPFEDSA-N 0 0 335.494 4.015 50 70 EIIARN COc1ccc([C@@H]2OC[C@]3(COC(C)=O)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 ZINC000217369809 241246854 /nfs/dbraw/zinc/24/68/54/241246854.db2.gz WSCCZHJZVDZUSC-DSBHMSESSA-N 0 0 344.451 4.164 50 70 EIIARN Cc1ccccc1NC(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217521355 241253987 /nfs/dbraw/zinc/25/39/87/241253987.db2.gz KAXSJWXXEBVFDF-IBGZPJMESA-N 0 0 340.448 4.239 50 70 EIIARN Cc1nc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)c(C)s1 ZINC000218174826 241304416 /nfs/dbraw/zinc/30/44/16/241304416.db2.gz AWNKGDLZVDFBID-HNNXBMFYSA-N 0 0 342.468 4.153 50 70 EIIARN CC[C@](C)(NC(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000160563554 257955622 /nfs/dbraw/zinc/95/56/22/257955622.db2.gz ZDIQEUMGXOTEDW-AWEZNQCLSA-N 0 0 346.349 4.356 50 70 EIIARN CC[C@H](C(=O)Nc1nn(-c2ccccc2)cc1C)c1ccc(F)cc1 ZINC000159857780 564054473 /nfs/dbraw/zinc/05/44/73/564054473.db2.gz KXXVTPKEJPYTCB-SFHVURJKSA-N 0 0 337.398 4.452 50 70 EIIARN Cc1cc(C(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000217640504 241265487 /nfs/dbraw/zinc/26/54/87/241265487.db2.gz LWQAPPKNTJYEHO-CQSZACIVSA-N 0 0 343.235 4.178 50 70 EIIARN O=C(NCCSC1CCOCC1)c1ccc(-c2cccs2)cc1 ZINC000217704885 241271030 /nfs/dbraw/zinc/27/10/30/241271030.db2.gz FZHYHJQUXIGGPW-UHFFFAOYSA-N 0 0 347.505 4.057 50 70 EIIARN O=C(NCc1ccccc1)N1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000217494830 241252553 /nfs/dbraw/zinc/25/25/53/241252553.db2.gz YGVOSPVRYOLHCO-GOSISDBHSA-N 0 0 326.415 4.305 50 70 EIIARN CC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(C)c(C)s1 ZINC000218485503 241326552 /nfs/dbraw/zinc/32/65/52/241326552.db2.gz JAHLHNWYRVVDIL-OAHLLOKOSA-N 0 0 327.453 4.051 50 70 EIIARN CC(C)c1cc(C(=O)N(C)C[C@@H]2CCCCO2)c(O)c(C(C)C)c1 ZINC000217756393 535343266 /nfs/dbraw/zinc/34/32/66/535343266.db2.gz GXPPZYDFKVUJGJ-INIZCTEOSA-N 0 0 333.472 4.280 50 70 EIIARN CC(C)c1cc(C(=O)N(C)C[C@H]2CCCCO2)c(O)c(C(C)C)c1 ZINC000217756465 535343400 /nfs/dbraw/zinc/34/34/00/535343400.db2.gz GXPPZYDFKVUJGJ-MRXNPFEDSA-N 0 0 333.472 4.280 50 70 EIIARN CC[C@@H](NC(=O)c1ccc(F)cc1Cl)c1nc(C)c(C)s1 ZINC000218295712 535800433 /nfs/dbraw/zinc/80/04/33/535800433.db2.gz GASWSUJTGJNNND-CYBMUJFWSA-N 0 0 326.824 4.434 50 70 EIIARN CC(C)Oc1ccccc1CN1CCO[C@H](c2cccc(F)c2)C1 ZINC000216683201 564080628 /nfs/dbraw/zinc/08/06/28/564080628.db2.gz YONGLBBGNNNNID-FQEVSTJZSA-N 0 0 329.415 4.186 50 70 EIIARN C[C@@](O)(CNC(=O)c1ccccc1Cl)c1cc2ccccc2s1 ZINC000217500184 241252322 /nfs/dbraw/zinc/25/23/22/241252322.db2.gz LSEUYPDXMHWVTP-GOSISDBHSA-N 0 0 345.851 4.192 50 70 EIIARN CC(C)Sc1ccc(CC(=O)Nc2ccn3nccc3c2)cc1 ZINC000217956639 535116743 /nfs/dbraw/zinc/11/67/43/535116743.db2.gz NOKOCJWJFYEQFM-UHFFFAOYSA-N 0 0 325.437 4.016 50 70 EIIARN CC[C@@H](C(=O)Nc1nn(-c2ccccc2)cc1C)c1ccc(F)cc1 ZINC000159857894 564054471 /nfs/dbraw/zinc/05/44/71/564054471.db2.gz KXXVTPKEJPYTCB-GOSISDBHSA-N 0 0 337.398 4.452 50 70 EIIARN CCN(C(=O)c1ccc(-c2cccc(F)c2)cc1)C1CCOCC1 ZINC000218333686 241316174 /nfs/dbraw/zinc/31/61/74/241316174.db2.gz QPMYMQOFSLASGN-UHFFFAOYSA-N 0 0 327.399 4.134 50 70 EIIARN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc([S@](C)=O)cc2)o1 ZINC000161127401 564117518 /nfs/dbraw/zinc/11/75/18/564117518.db2.gz OZJLLWBILSQPGW-UPCLLVRISA-N 0 0 346.452 4.085 50 70 EIIARN O=C(c1ccoc1)N1CCS[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000217643840 241265134 /nfs/dbraw/zinc/26/51/34/241265134.db2.gz ZZUAITZCBXWMIP-CQSZACIVSA-N 0 0 343.326 4.066 50 70 EIIARN COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1ccccn1 ZINC000217462882 241250942 /nfs/dbraw/zinc/25/09/42/241250942.db2.gz QDJRCJFATOKWFL-INIZCTEOSA-N 0 0 330.815 4.111 50 70 EIIARN COc1ccc(CNC(=O)NCC2(c3ccsc3)CCCC2)cc1 ZINC000217486910 241253375 /nfs/dbraw/zinc/25/33/75/241253375.db2.gz QXEIQTDQJGAPCE-UHFFFAOYSA-N 0 0 344.480 4.068 50 70 EIIARN COc1ccccc1-c1ccc(C(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000217380604 241247142 /nfs/dbraw/zinc/24/71/42/241247142.db2.gz FOWGTTBXNMKZID-SFHVURJKSA-N 0 0 339.435 4.051 50 70 EIIARN Cc1cc([C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)no1 ZINC000218279940 241311199 /nfs/dbraw/zinc/31/11/99/241311199.db2.gz SZJDZQDKJVARNE-LJQANCHMSA-N 0 0 337.423 4.151 50 70 EIIARN CO[C@H](CNC(=O)c1ccccc1SC)c1ccccc1Cl ZINC000218315164 241312862 /nfs/dbraw/zinc/31/28/62/241312862.db2.gz TZURMIASTUYDMA-OAHLLOKOSA-N 0 0 335.856 4.179 50 70 EIIARN O[C@@H](C[C@@H]1CCCN1c1nc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000161161740 564118398 /nfs/dbraw/zinc/11/83/98/564118398.db2.gz WHCDQGMELVRZCB-RDJZCZTQSA-N 0 0 344.361 4.199 50 70 EIIARN O=C(c1ccc2nsnc2c1)N1CCCC[C@H](c2ccccc2)C1 ZINC000217287975 241243289 /nfs/dbraw/zinc/24/32/89/241243289.db2.gz LOZZNNVDEOJCOM-INIZCTEOSA-N 0 0 337.448 4.101 50 70 EIIARN CN(C)c1cccc(C(=O)NCC2(c3ccsc3)CCCC2)c1 ZINC000217480997 241252668 /nfs/dbraw/zinc/25/26/68/241252668.db2.gz WOLQOYZOQVLUKT-UHFFFAOYSA-N 0 0 328.481 4.056 50 70 EIIARN Cn1ccc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4[nH]3)cc21 ZINC000218496069 241326508 /nfs/dbraw/zinc/32/65/08/241326508.db2.gz REKAKZULHZAHRZ-SFHVURJKSA-N 0 0 344.418 4.032 50 70 EIIARN CCc1onc(C)c1NC(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000160320201 258070478 /nfs/dbraw/zinc/07/04/78/258070478.db2.gz FISZVQGEMJVFSX-UHFFFAOYSA-N 0 0 338.367 4.377 50 70 EIIARN CN(C(=O)Nc1ccc(O[C@H]2CCOC2)cc1)C1CCCCCCC1 ZINC000160356037 225394698 /nfs/dbraw/zinc/39/46/98/225394698.db2.gz DUCIANYEBPLQDW-IBGZPJMESA-N 0 0 346.471 4.431 50 70 EIIARN CC(C)[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C(C)C ZINC000218352481 535117739 /nfs/dbraw/zinc/11/77/39/535117739.db2.gz XJTMSGJWKADACX-SFHVURJKSA-N 0 0 336.439 4.139 50 70 EIIARN CC[C@H](NC(=O)c1ccc(F)cc1Cl)c1nc(C)c(C)s1 ZINC000218295750 535874953 /nfs/dbraw/zinc/87/49/53/535874953.db2.gz GASWSUJTGJNNND-ZDUSSCGKSA-N 0 0 326.824 4.434 50 70 EIIARN COc1cccc([C@@H]2SCCN2C(=O)Nc2ccccc2C)c1 ZINC000217639777 241266332 /nfs/dbraw/zinc/26/63/32/241266332.db2.gz UYBVYHDAAFQVTM-KRWDZBQOSA-N 0 0 328.437 4.283 50 70 EIIARN O=C(NCc1ccc(F)cc1)NCC1(c2ccsc2)CCCC1 ZINC000217486675 241252656 /nfs/dbraw/zinc/25/26/56/241252656.db2.gz WXXWDOBTJVNWSJ-UHFFFAOYSA-N 0 0 332.444 4.198 50 70 EIIARN Cn1cc(CCC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21 ZINC000218008729 241290413 /nfs/dbraw/zinc/29/04/13/241290413.db2.gz XOXWMQGNXXHREA-FQEVSTJZSA-N 0 0 347.462 4.260 50 70 EIIARN CC[C@@](C)(NC(=O)c1ccc(F)cc1C(F)(F)F)c1nccs1 ZINC000160563680 564082110 /nfs/dbraw/zinc/08/21/10/564082110.db2.gz ZDIQEUMGXOTEDW-CQSZACIVSA-N 0 0 346.349 4.356 50 70 EIIARN O[C@H](C[C@@H]1CCCN1c1nc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000161161649 564118387 /nfs/dbraw/zinc/11/83/87/564118387.db2.gz WHCDQGMELVRZCB-DOTOQJQBSA-N 0 0 344.361 4.199 50 70 EIIARN COc1cccc([C@@H]2SCCN2C(=O)Nc2ccccc2F)c1 ZINC000217639997 241264474 /nfs/dbraw/zinc/26/44/74/241264474.db2.gz PJVSMQIHCHPGEI-INIZCTEOSA-N 0 0 332.400 4.114 50 70 EIIARN Cc1cncnc1C1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC000216912963 241220385 /nfs/dbraw/zinc/22/03/85/241220385.db2.gz IOTZJICHOPZNFB-UHFFFAOYSA-N 0 0 337.448 4.020 50 70 EIIARN O=C(c1ccccc1N1CCCC1)N1CCC[C@H](c2ccccc2)C1 ZINC000216916760 241223447 /nfs/dbraw/zinc/22/34/47/241223447.db2.gz KYYHDAMYBIKJBY-IBGZPJMESA-N 0 0 334.463 4.307 50 70 EIIARN C[C@](O)(CNC(=O)Nc1ccccc1F)c1cc2ccccc2s1 ZINC000217521674 241254993 /nfs/dbraw/zinc/25/49/93/241254993.db2.gz AKUVDJPPPIPWBM-SFHVURJKSA-N 0 0 344.411 4.070 50 70 EIIARN CC(C)Sc1ccc(CC(=O)NCC[C@H](O)c2ccsc2)cc1 ZINC000217532422 535116658 /nfs/dbraw/zinc/11/66/58/535116658.db2.gz IETXVXSUEWMRBN-KRWDZBQOSA-N 0 0 349.521 4.031 50 70 EIIARN O[C@@]12CCCC[C@@H]1CN(Cc1csc(Nc3ccccc3)n1)CC2 ZINC000161117280 564116905 /nfs/dbraw/zinc/11/69/05/564116905.db2.gz VVZSLQXGIPZXFA-DNVCBOLYSA-N 0 0 343.496 4.014 50 70 EIIARN Cc1oncc1C(=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000217642057 241265367 /nfs/dbraw/zinc/26/53/67/241265367.db2.gz IWRRLGYWFDGHKB-CQSZACIVSA-N 0 0 343.235 4.178 50 70 EIIARN C[C@](O)(CNC(=O)c1ccccc1Cl)c1cc2ccccc2s1 ZINC000217500281 241253128 /nfs/dbraw/zinc/25/31/28/241253128.db2.gz LSEUYPDXMHWVTP-SFHVURJKSA-N 0 0 345.851 4.192 50 70 EIIARN O=C(NCC[C@@H](O)c1ccsc1)Nc1cccc(C(F)(F)F)c1 ZINC000217547332 241258063 /nfs/dbraw/zinc/25/80/63/241258063.db2.gz JVHAGWVWZDVLAN-CYBMUJFWSA-N 0 0 344.358 4.012 50 70 EIIARN Cc1cnccc1CN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000218028293 241291284 /nfs/dbraw/zinc/29/12/84/241291284.db2.gz ZZOMMTYMKPOGJA-UHFFFAOYSA-N 0 0 328.843 4.124 50 70 EIIARN Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C2CCCCC2)nn1C ZINC000159945233 225307296 /nfs/dbraw/zinc/30/72/96/225307296.db2.gz BZBQQPULFSSIKD-GFCCVEGCSA-N 0 0 344.459 4.205 50 70 EIIARN COCc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCc3sccc32)o1 ZINC000161209156 225574084 /nfs/dbraw/zinc/57/40/84/225574084.db2.gz AVCABLLPUWIYAI-HOTGVXAUSA-N 0 0 345.464 4.271 50 70 EIIARN C[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)[C@H](c2ccco2)C1 ZINC000161291745 564121185 /nfs/dbraw/zinc/12/11/85/564121185.db2.gz VYHDFFOAETXVGY-ZFWWWQNUSA-N 0 0 330.432 4.236 50 70 EIIARN C[C@@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)[C@@H](c2ccco2)C1 ZINC000161291878 564121192 /nfs/dbraw/zinc/12/11/92/564121192.db2.gz VYHDFFOAETXVGY-UKRRQHHQSA-N 0 0 330.432 4.236 50 70 EIIARN Cc1nc(-c2ccccc2NC(=O)c2cnc3ccccc3n2)cs1 ZINC000218593345 564160382 /nfs/dbraw/zinc/16/03/82/564160382.db2.gz ZEJGDDQPLZYNOC-UHFFFAOYSA-N 0 0 346.415 4.314 50 70 EIIARN Cc1nc([C@H](C)NC(=O)CCCc2c[nH]c3ccccc23)cs1 ZINC000217183072 241238267 /nfs/dbraw/zinc/23/82/67/241238267.db2.gz KZNOKOKOLJKSNN-LBPRGKRZSA-N 0 0 327.453 4.133 50 70 EIIARN Cc1ccccc1OCC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217481544 241253265 /nfs/dbraw/zinc/25/32/65/241253265.db2.gz ASYNNTJRSFSKSK-UHFFFAOYSA-N 0 0 329.465 4.064 50 70 EIIARN O=C(CCCOCc1ccccc1)N1CCCC[C@@H]1c1ccccn1 ZINC000217208285 241241686 /nfs/dbraw/zinc/24/16/86/241241686.db2.gz NIGUTOBGKCCIAI-HXUWFJFHSA-N 0 0 338.451 4.132 50 70 EIIARN O=C(NCC[C@H](O)c1ccsc1)Nc1cccc(C(F)(F)F)c1 ZINC000217547239 241257764 /nfs/dbraw/zinc/25/77/64/241257764.db2.gz JVHAGWVWZDVLAN-ZDUSSCGKSA-N 0 0 344.358 4.012 50 70 EIIARN CSc1cc(C(=O)N(CC(F)(F)F)c2ccccn2)ccc1F ZINC000160793399 257955964 /nfs/dbraw/zinc/95/59/64/257955964.db2.gz ZRVSHEWETIPQLX-UHFFFAOYSA-N 0 0 344.333 4.152 50 70 EIIARN CN(C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1)C1CCCCCCC1 ZINC000160355888 225394022 /nfs/dbraw/zinc/39/40/22/225394022.db2.gz DUCIANYEBPLQDW-LJQANCHMSA-N 0 0 346.471 4.431 50 70 EIIARN CCN(C(=O)c1ccc(F)cc1C(F)(F)F)c1nc(C)cs1 ZINC000160520626 564081887 /nfs/dbraw/zinc/08/18/87/564081887.db2.gz IVOSSKADHHIDAB-UHFFFAOYSA-N 0 0 332.322 4.276 50 70 EIIARN COc1cccc2ccn(CCC(=O)Nc3cc(F)c(F)c(F)c3)c21 ZINC000218226522 241308094 /nfs/dbraw/zinc/30/80/94/241308094.db2.gz WEMYVGNUXAYFDD-UHFFFAOYSA-N 0 0 348.324 4.096 50 70 EIIARN Cc1cc([C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)no1 ZINC000218279866 241309646 /nfs/dbraw/zinc/30/96/46/241309646.db2.gz SZJDZQDKJVARNE-IBGZPJMESA-N 0 0 337.423 4.151 50 70 EIIARN O[C@]12CCCC[C@@H]1CN(Cc1csc(Nc3ccccc3)n1)CC2 ZINC000161117403 225552686 /nfs/dbraw/zinc/55/26/86/225552686.db2.gz VVZSLQXGIPZXFA-BEFAXECRSA-N 0 0 343.496 4.014 50 70 EIIARN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C2CCCCC2)nn1C ZINC000159945112 534377367 /nfs/dbraw/zinc/37/73/67/534377367.db2.gz BZBQQPULFSSIKD-LBPRGKRZSA-N 0 0 344.459 4.205 50 70 EIIARN O=C(Cn1ccc2ccccc21)N1CCCC[C@H](c2ccccc2)C1 ZINC000217287052 563999585 /nfs/dbraw/zinc/99/95/85/563999585.db2.gz WBTUXKVKKVEJKC-FQEVSTJZSA-N 0 0 332.447 4.438 50 70 EIIARN C[C@@H]1CCN(C(=O)Nc2ccc([S@](C)=O)cc2)[C@H](c2ccco2)C1 ZINC000161128391 564117525 /nfs/dbraw/zinc/11/75/25/564117525.db2.gz NRNIZVUHUVFVLY-ZRAONMGGSA-N 0 0 346.452 4.022 50 70 EIIARN O=C(c1ccoc1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000217641848 241266214 /nfs/dbraw/zinc/26/62/14/241266214.db2.gz QFKNAZJYDAWWCQ-CQSZACIVSA-N 0 0 328.220 4.474 50 70 EIIARN Cc1cc([C@H]2CCCCN2C(=O)c2csc3c2CCCC3)no1 ZINC000218453874 241325214 /nfs/dbraw/zinc/32/52/14/241325214.db2.gz TWIMPALTAOSSIZ-MRXNPFEDSA-N 0 0 330.453 4.291 50 70 EIIARN CC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1nc(C)c(C)s1 ZINC000218485590 241327135 /nfs/dbraw/zinc/32/71/35/241327135.db2.gz JAHLHNWYRVVDIL-HNNXBMFYSA-N 0 0 327.453 4.051 50 70 EIIARN Cc1csc(CNC(=O)c2cc(N3CCCCC3)ccc2Cl)n1 ZINC000217841700 241279869 /nfs/dbraw/zinc/27/98/69/241279869.db2.gz RDUPSHVCTXIAHG-UHFFFAOYSA-N 0 0 349.887 4.025 50 70 EIIARN Cc1cccc2sc(NC(=O)c3csc([C@@H]4CCCO4)n3)nc21 ZINC000160438885 564081666 /nfs/dbraw/zinc/08/16/66/564081666.db2.gz OXMDCLODSVBMIL-NSHDSACASA-N 0 0 345.449 4.165 50 70 EIIARN Cc1ccc(SCc2ccc(C(=O)N(C)Cc3ccon3)o2)cc1 ZINC000216963806 241229514 /nfs/dbraw/zinc/22/95/14/241229514.db2.gz LPILZJWXAPCGFM-UHFFFAOYSA-N 0 0 342.420 4.141 50 70 EIIARN CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1ccccn1 ZINC000218172180 241303365 /nfs/dbraw/zinc/30/33/65/241303365.db2.gz FWANYMWVCKPSFY-IBGZPJMESA-N 0 0 348.450 4.065 50 70 EIIARN CC[C@H](C)[C@H](NC(=O)c1nc(C)sc1C)c1nc2ccccc2[nH]1 ZINC000218313294 535975211 /nfs/dbraw/zinc/97/52/11/535975211.db2.gz MQMHWASLRCGGRV-BONVTDFDSA-N 0 0 342.468 4.153 50 70 EIIARN O=C(Cn1ccc2ccccc21)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217287050 564156694 /nfs/dbraw/zinc/15/66/94/564156694.db2.gz WBTUXKVKKVEJKC-HXUWFJFHSA-N 0 0 332.447 4.438 50 70 EIIARN Cc1cc(C(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000217640588 241264347 /nfs/dbraw/zinc/26/43/47/241264347.db2.gz LWQAPPKNTJYEHO-AWEZNQCLSA-N 0 0 343.235 4.178 50 70 EIIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c(F)cccc1Cl ZINC000217667636 241268476 /nfs/dbraw/zinc/26/84/76/241268476.db2.gz RLFHSOBDGTYZKO-FUNVUKJBSA-N 0 0 341.879 4.297 50 70 EIIARN C[C@](O)(CNC(=O)Nc1ccccc1Cl)c1cc2ccccc2o1 ZINC000218004659 241290537 /nfs/dbraw/zinc/29/05/37/241290537.db2.gz FXNZFVRRLOLMOW-SFHVURJKSA-N 0 0 344.798 4.115 50 70 EIIARN C[C@@H](NC(=O)Nc1ccc(COC2CCCC2)cc1)c1ccccn1 ZINC000160494475 257955968 /nfs/dbraw/zinc/95/59/68/257955968.db2.gz TWRQBWZHPSPSGP-OAHLLOKOSA-N 0 0 339.439 4.424 50 70 EIIARN COc1cccc([C@H]2SCCN2C(=O)Nc2ccccc2F)c1 ZINC000217639917 536913696 /nfs/dbraw/zinc/91/36/96/536913696.db2.gz PJVSMQIHCHPGEI-MRXNPFEDSA-N 0 0 332.400 4.114 50 70 EIIARN CC1=C(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)CCCO1 ZINC000160897453 564088992 /nfs/dbraw/zinc/08/89/92/564088992.db2.gz FRCCBMQYFFSKEE-OAHLLOKOSA-N 0 0 328.437 4.044 50 70 EIIARN O[C@H](C[C@H]1CCCN1c1nc2cc(F)ccc2o1)c1ccc(F)cc1 ZINC000161161830 564118397 /nfs/dbraw/zinc/11/83/97/564118397.db2.gz WHCDQGMELVRZCB-NVXWUHKLSA-N 0 0 344.361 4.199 50 70 EIIARN COc1ccc([C@@H]2SCCN2C(=O)c2ccc(Cl)s2)cc1 ZINC000217628291 241266100 /nfs/dbraw/zinc/26/61/00/241266100.db2.gz NXNSHDKALAZUGU-HNNXBMFYSA-N 0 0 339.869 4.298 50 70 EIIARN O=C(NCCc1ccccc1)N1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000217494542 241252239 /nfs/dbraw/zinc/25/22/39/241252239.db2.gz OFYYBYJBJDRQDC-IBGZPJMESA-N 0 0 340.442 4.348 50 70 EIIARN O=C(CCc1c[nH]c2ccccc12)N1CCCC[C@H]1c1cccnc1 ZINC000217961453 241288559 /nfs/dbraw/zinc/28/85/59/241288559.db2.gz POBIZGDMMPXDST-FQEVSTJZSA-N 0 0 333.435 4.249 50 70 EIIARN CC(C)(F)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000160096961 564063158 /nfs/dbraw/zinc/06/31/58/564063158.db2.gz WXMYEPSNBYJWDP-UHFFFAOYSA-N 0 0 348.245 4.249 50 70 EIIARN CCOc1ccccc1C(=O)NCC1(c2ccsc2)CCCC1 ZINC000217481215 241253577 /nfs/dbraw/zinc/25/35/77/241253577.db2.gz QJSQKDVORDNUNK-UHFFFAOYSA-N 0 0 329.465 4.389 50 70 EIIARN O=C(CCn1ccc2ccccc21)N1CCCC[C@H]1c1cccnc1 ZINC000218096401 241296989 /nfs/dbraw/zinc/29/69/89/241296989.db2.gz AFITXWWMGQRQSR-FQEVSTJZSA-N 0 0 333.435 4.180 50 70 EIIARN O=C(Nc1cccnc1SCc1ccccn1)c1ccsc1 ZINC000218280259 241309922 /nfs/dbraw/zinc/30/99/22/241309922.db2.gz DUJYFSHSNJPZPK-UHFFFAOYSA-N 0 0 327.434 4.083 50 70 EIIARN CC(C)[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C(C)C ZINC000218407293 535117751 /nfs/dbraw/zinc/11/77/51/535117751.db2.gz YJMKBILNFFFUDL-SFHVURJKSA-N 0 0 336.439 4.139 50 70 EIIARN C[C@@H](Oc1ccc2c(c1)CCCC2=O)c1nnc(-c2cccs2)o1 ZINC000160370195 564077408 /nfs/dbraw/zinc/07/74/08/564077408.db2.gz RTCGUMLAMQXNFC-LLVKDONJSA-N 0 0 340.404 4.457 50 70 EIIARN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3sccc32)o1 ZINC000161208919 564119511 /nfs/dbraw/zinc/11/95/11/564119511.db2.gz AVCABLLPUWIYAI-CVEARBPZSA-N 0 0 345.464 4.271 50 70 EIIARN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)C1(c2cccs2)CCCC1 ZINC000217655976 564158131 /nfs/dbraw/zinc/15/81/31/564158131.db2.gz OMQSQYDPICGSEH-YIONKMFJSA-N 0 0 335.538 4.445 50 70 EIIARN O=C(Nc1c(F)cccc1F)N1CCS[C@H]1c1ccc(F)cc1 ZINC000217635226 241264734 /nfs/dbraw/zinc/26/47/34/241264734.db2.gz IFQFQGWODQYWPC-HNNXBMFYSA-N 0 0 338.354 4.383 50 70 EIIARN O=C(c1ccoc1)N1CCS[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000217643926 241265853 /nfs/dbraw/zinc/26/58/53/241265853.db2.gz ZZUAITZCBXWMIP-AWEZNQCLSA-N 0 0 343.326 4.066 50 70 EIIARN CC(C)[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1C(C)C ZINC000218138575 241299527 /nfs/dbraw/zinc/29/95/27/241299527.db2.gz WGFZGDYWWBKNPG-KRWDZBQOSA-N 0 0 325.412 4.337 50 70 EIIARN Cc1oncc1C(=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000217642142 241265409 /nfs/dbraw/zinc/26/54/09/241265409.db2.gz IWRRLGYWFDGHKB-AWEZNQCLSA-N 0 0 343.235 4.178 50 70 EIIARN O=C(c1ccoc1)N1CCS[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000217631971 241265726 /nfs/dbraw/zinc/26/57/26/241265726.db2.gz MTYJACFNTNDGIG-AWEZNQCLSA-N 0 0 327.327 4.186 50 70 EIIARN O=C(c1cc2ccccc2o1)N1CCS[C@H]1c1cccc(F)c1 ZINC000217634089 241266018 /nfs/dbraw/zinc/26/60/18/241266018.db2.gz QYVNCQSKSILROF-SFHVURJKSA-N 0 0 327.380 4.460 50 70 EIIARN COc1ccc(Cl)cc1C(=O)N1CCCC[C@@H]1c1ccccn1 ZINC000217462793 241250145 /nfs/dbraw/zinc/25/01/45/241250145.db2.gz QDJRCJFATOKWFL-MRXNPFEDSA-N 0 0 330.815 4.111 50 70 EIIARN Cc1ccccc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217521439 241254038 /nfs/dbraw/zinc/25/40/38/241254038.db2.gz KAXSJWXXEBVFDF-LJQANCHMSA-N 0 0 340.448 4.239 50 70 EIIARN C[C@H]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)[C@@H](c2ccco2)C1 ZINC000161292001 533620255 /nfs/dbraw/zinc/62/02/55/533620255.db2.gz VYHDFFOAETXVGY-DZGCQCFKSA-N 0 0 330.432 4.236 50 70 EIIARN c1ccc([SiH](c2ccccc2)C2c3ccccc3-c3ccccc32)cc1 ZINC000169817278 564076392 /nfs/dbraw/zinc/07/63/92/564076392.db2.gz UXPVXNOSGMAFBG-UHFFFAOYSA-N 0 0 348.521 4.380 50 70 EIIARN O=C(CCc1ccccc1F)NCC1(c2ccsc2)CCCC1 ZINC000217583003 241261378 /nfs/dbraw/zinc/26/13/78/241261378.db2.gz LOOVMEVRTSKHTN-UHFFFAOYSA-N 0 0 331.456 4.448 50 70 EIIARN O=C(Nc1c(F)cccc1F)N1CCS[C@@H]1c1ccc(F)cc1 ZINC000217635140 241264809 /nfs/dbraw/zinc/26/48/09/241264809.db2.gz IFQFQGWODQYWPC-OAHLLOKOSA-N 0 0 338.354 4.383 50 70 EIIARN