smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217983089 189712895 /nfs/dbraw/zinc/71/28/95/189712895.db2.gz SOLQTEHUMDXDQP-DGCLKSJQSA-N 0 0 299.417 1.542 40 70 CDIBRN CCS(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217996395 375773017 /nfs/dbraw/zinc/77/30/17/375773017.db2.gz FNLKRAXZZGBAIW-CYBMUJFWSA-N 0 0 283.349 1.580 40 70 CDIBRN COc1nn(C)cc1C(=O)Nc1ccn2nccc2c1 ZINC000217956103 360419748 /nfs/dbraw/zinc/41/97/48/360419748.db2.gz WJYBSWWFRQLTDS-UHFFFAOYSA-N 0 0 271.280 1.329 40 70 CDIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2F)nn1 ZINC000216751707 189706170 /nfs/dbraw/zinc/70/61/70/189706170.db2.gz AFEQZDPVTYWIRM-CYBMUJFWSA-N 0 0 292.339 1.669 40 70 CDIBRN CN1C(=O)CS[C@H]1c1cn(Cc2ccc(F)cc2)nn1 ZINC000216751848 189706316 /nfs/dbraw/zinc/70/63/16/189706316.db2.gz WIZIEBQFIYCLDI-ZDUSSCGKSA-N 0 0 292.339 1.669 40 70 CDIBRN C[C@H]1CCc2cc(C(=O)N3CCOCC3)ccc2N1 ZINC000217516540 413112801 /nfs/dbraw/zinc/11/28/01/413112801.db2.gz XVOWBKZLHFPIBR-NSHDSACASA-N 0 0 260.337 1.906 40 70 CDIBRN Cn1nc(CN(C2CCCC2)S(C)(=O)=O)c2c1CCC2 ZINC000217912395 375760351 /nfs/dbraw/zinc/76/03/51/375760351.db2.gz CSSAIOQGVBXKHD-UHFFFAOYSA-N 0 0 297.424 1.613 40 70 CDIBRN Cc1cc(C(=O)NCC[C@@H](O)c2cccn2C)no1 ZINC000217931409 375762414 /nfs/dbraw/zinc/76/24/14/375762414.db2.gz KBDVRBOPNHVAEP-GFCCVEGCSA-N 0 0 263.297 1.175 40 70 CDIBRN CC(C)Cc1noc(CN[C@@H]2CCCCC[C@H]2C(N)=O)n1 ZINC000159728386 345262361 /nfs/dbraw/zinc/26/23/61/345262361.db2.gz TXXBLQSVDMJJCA-VXGBXAGGSA-N 0 0 294.399 1.792 40 70 CDIBRN Cc1cc(C)n(-c2nn3c(nnc3C(F)F)s2)n1 ZINC000216931322 366459419 /nfs/dbraw/zinc/45/94/19/366459419.db2.gz WUCCJKOWEYETOL-UHFFFAOYSA-N 0 0 270.268 1.926 40 70 CDIBRN Cc1cc(NC(=O)Cn2nc(C3CC3)nc2C2CC2)no1 ZINC000161508618 364505788 /nfs/dbraw/zinc/50/57/88/364505788.db2.gz ZQDPLDOHACBNBN-UHFFFAOYSA-N 0 0 287.323 1.968 40 70 CDIBRN COC(=O)[C@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000160503157 370073041 /nfs/dbraw/zinc/07/30/41/370073041.db2.gz JMCRRMVTAIUPGR-NSHDSACASA-N 0 0 251.326 1.997 40 70 CDIBRN Cc1cc(N2CCC[C@@H]2CN2CCOCC2)ncn1 ZINC000160400291 391380399 /nfs/dbraw/zinc/38/03/99/391380399.db2.gz CLPYXGCTDFDVPG-CYBMUJFWSA-N 0 0 262.357 1.086 40 70 CDIBRN O=C(Nc1ccccn1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218267918 359048262 /nfs/dbraw/zinc/04/82/62/359048262.db2.gz OLCJTBOECWPNMK-TXEJJXNPSA-N 0 0 286.339 1.513 40 70 CDIBRN COC(=O)[C@@H]1CCCN(C(=O)NCCCSC)C1 ZINC000160371127 364761890 /nfs/dbraw/zinc/76/18/90/364761890.db2.gz FQUJUZBRKRLDOW-SNVBAGLBSA-N 0 0 274.386 1.334 40 70 CDIBRN Cc1cccc(C(=O)NCC[C@H](O)C2CCOCC2)c1 ZINC000217913234 375761180 /nfs/dbraw/zinc/76/11/80/375761180.db2.gz XROIAORLCVDDQO-HNNXBMFYSA-N 0 0 277.364 1.902 40 70 CDIBRN O=C(NC1CCCCC1)N1CC[C@@H](n2ccnn2)C1 ZINC000217688839 295616300 /nfs/dbraw/zinc/61/63/00/295616300.db2.gz NCWHDIDBJLERQE-GFCCVEGCSA-N 0 0 263.345 1.567 40 70 CDIBRN COC(=O)[C@@H](C)NCc1cncc(Br)c1 ZINC000160568113 370474533 /nfs/dbraw/zinc/47/45/33/370474533.db2.gz NVDNZSSOZGPHLE-SSDOTTSWSA-N 0 0 273.130 1.495 40 70 CDIBRN COc1ccccc1NC(=O)N1CC[C@@H](n2ccnn2)C1 ZINC000217689327 374188055 /nfs/dbraw/zinc/18/80/55/374188055.db2.gz JJFNJAFUNZEXGF-LLVKDONJSA-N 0 0 287.323 1.766 40 70 CDIBRN CCOC(=O)[C@@H]1C(=O)N[C@]2(C)Oc3ccccc3[C@H]1[C@@H]2C ZINC000217506827 285856040 /nfs/dbraw/zinc/85/60/40/285856040.db2.gz ZYFKMXQXXALDPP-IRLPFQOPSA-N 0 0 289.331 1.824 40 70 CDIBRN COc1ccccc1NC(=O)N1CC[C@H](n2ccnn2)C1 ZINC000217689244 375704738 /nfs/dbraw/zinc/70/47/38/375704738.db2.gz JJFNJAFUNZEXGF-NSHDSACASA-N 0 0 287.323 1.766 40 70 CDIBRN CCOC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217983174 375771489 /nfs/dbraw/zinc/77/14/89/375771489.db2.gz SOLQTEHUMDXDQP-YPMHNXCESA-N 0 0 299.417 1.542 40 70 CDIBRN COC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217994143 375773778 /nfs/dbraw/zinc/77/37/78/375773778.db2.gz VKYBKTUPRKTLQH-AAEUAGOBSA-N 0 0 299.417 1.460 40 70 CDIBRN CC(=O)c1cccc(NC(=O)c2cc(=O)[nH]cn2)c1 ZINC000217792571 527369450 /nfs/dbraw/zinc/36/94/50/527369450.db2.gz YTWZGISSCOIJNZ-UHFFFAOYSA-N 0 0 257.249 1.225 40 70 CDIBRN CC(=O)N1CCC(c2nnc(-c3cncnc3C)o2)CC1 ZINC000216638913 358954945 /nfs/dbraw/zinc/95/49/45/358954945.db2.gz IBCJWBFPAPEVAI-UHFFFAOYSA-N 0 0 287.323 1.561 40 70 CDIBRN COc1coc(C(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1=O ZINC000218544942 359056949 /nfs/dbraw/zinc/05/69/49/359056949.db2.gz GJMVAQWBROBHJI-AXFHLTTASA-N 0 0 275.304 1.590 40 70 CDIBRN O=C(NCCc1ccccc1)N1CC[C@@H](n2ccnn2)C1 ZINC000217688370 375704111 /nfs/dbraw/zinc/70/41/11/375704111.db2.gz ALRZDKIHBDGVJM-CQSZACIVSA-N 0 0 285.351 1.477 40 70 CDIBRN Cc1cc(C(=O)NCC[C@@H](O)C2CCOCC2)c(C)o1 ZINC000217913669 375760862 /nfs/dbraw/zinc/76/08/62/375760862.db2.gz GVMVCDVYKHUEAO-CQSZACIVSA-N 0 0 281.352 1.804 40 70 CDIBRN CCOC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217983019 375771404 /nfs/dbraw/zinc/77/14/04/375771404.db2.gz SOLQTEHUMDXDQP-AAEUAGOBSA-N 0 0 299.417 1.542 40 70 CDIBRN Cc1ccc(S(=O)(=O)[C@H]2C[C@H]2C(N)=S)cc1 ZINC000217994963 375773709 /nfs/dbraw/zinc/77/37/09/375773709.db2.gz UDBGWPCFMTXLGP-ZJUUUORDSA-N 0 0 255.364 1.443 40 70 CDIBRN Cc1ccc([C@@H]2CN(CCOC(=O)N(C)C)CCO2)o1 ZINC000159528073 345201608 /nfs/dbraw/zinc/20/16/08/345201608.db2.gz ZJLLRZXJDGNISJ-ZDUSSCGKSA-N 0 0 282.340 1.660 40 70 CDIBRN CC(=O)N1CCC(c2nnc(-c3cnc(C)nc3)o2)CC1 ZINC000216637578 189705712 /nfs/dbraw/zinc/70/57/12/189705712.db2.gz FFBGFQIBRWACQA-UHFFFAOYSA-N 0 0 287.323 1.561 40 70 CDIBRN Cc1ccc(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(N)c1 ZINC000217779326 262344398 /nfs/dbraw/zinc/34/43/98/262344398.db2.gz HECDBYGUWPUNGG-TXEJJXNPSA-N 0 0 262.353 1.756 40 70 CDIBRN Cc1cc(OC2CN(C(=O)c3ccco3)C2)cc(=O)n1C ZINC000217754430 392195545 /nfs/dbraw/zinc/19/55/45/392195545.db2.gz BLJCEIBPRNIVPL-UHFFFAOYSA-N 0 0 288.303 1.190 40 70 CDIBRN Cc1ncc(-c2nnc(C3CCN(C=O)CC3)o2)cn1 ZINC000216640919 293564261 /nfs/dbraw/zinc/56/42/61/293564261.db2.gz VXMIEGVSSUQLOX-UHFFFAOYSA-N 0 0 273.296 1.171 40 70 CDIBRN C[S@@](=O)c1nncn1-c1nc(C(C)(C)C)ns1 ZINC000159445228 188426297 /nfs/dbraw/zinc/42/62/97/188426297.db2.gz IBXJQFZMNWLSCK-KRWDZBQOSA-N 0 0 271.371 1.154 40 70 CDIBRN CC(=O)N1CCC[C@@H](c2nnc(-c3cncnc3C)o2)C1 ZINC000216660180 189706034 /nfs/dbraw/zinc/70/60/34/189706034.db2.gz MJDSGLJXNWSAHQ-LLVKDONJSA-N 0 0 287.323 1.561 40 70 CDIBRN CCOC(=O)c1n[nH]c2c1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000217917807 130764472 /nfs/dbraw/zinc/76/44/72/130764472.db2.gz LWSVFVANDQKWQI-MRVPVSSYSA-N 0 0 295.339 1.578 40 70 CDIBRN CCc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)cc1 ZINC000217713705 359087424 /nfs/dbraw/zinc/08/74/24/359087424.db2.gz NEAXLQHMAOAACM-UHFFFAOYSA-N 0 0 292.364 1.086 40 70 CDIBRN O=C(c1ccccc1F)N1CC[C@@H](n2ccnn2)C1 ZINC000217685908 375704571 /nfs/dbraw/zinc/70/45/71/375704571.db2.gz LZMCOHHHZNSURT-SNVBAGLBSA-N 0 0 260.272 1.504 40 70 CDIBRN Cc1noc(C)c1C(=O)NCCSC1CCOCC1 ZINC000217705663 375712880 /nfs/dbraw/zinc/71/28/80/375712880.db2.gz UOPQCZSPEOVFII-UHFFFAOYSA-N 0 0 284.381 1.933 40 70 CDIBRN CS(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217819401 375742562 /nfs/dbraw/zinc/74/25/62/375742562.db2.gz VNGYRRMGEZHYOM-SECBINFHSA-N 0 0 285.369 1.161 40 70 CDIBRN O=C(NCC[C@@H](O)C1CCOCC1)c1c(F)cccc1F ZINC000217915566 518199769 /nfs/dbraw/zinc/19/97/69/518199769.db2.gz GRBMDDZNYMEJLV-CYBMUJFWSA-N 0 0 299.317 1.872 40 70 CDIBRN COc1cccc(Cn2cc(C3OCCO3)nn2)c1 ZINC000216748834 358960921 /nfs/dbraw/zinc/96/09/21/358960921.db2.gz FMKYFDWWNRZSJL-UHFFFAOYSA-N 0 0 261.281 1.380 40 70 CDIBRN Cc1ccc(OCc2nnc3sc(NN)nn23)cc1 ZINC000216761060 364096057 /nfs/dbraw/zinc/09/60/57/364096057.db2.gz MSYWYUAAIOTRCU-UHFFFAOYSA-N 0 0 276.325 1.359 40 70 CDIBRN COC(=O)c1cccc(Cn2cc(C3OCCO3)nn2)c1 ZINC000216748699 189706245 /nfs/dbraw/zinc/70/62/45/189706245.db2.gz MWTONMLEEGXNGB-UHFFFAOYSA-N 0 0 289.291 1.158 40 70 CDIBRN CCS(=O)(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217819580 375742901 /nfs/dbraw/zinc/74/29/01/375742901.db2.gz HWRUGMBAMDNOLO-SNVBAGLBSA-N 0 0 299.396 1.551 40 70 CDIBRN COc1ccc(C(=O)NCC[C@@H](O)C2CCOCC2)cc1 ZINC000217915190 375760648 /nfs/dbraw/zinc/76/06/48/375760648.db2.gz GFIKZVLZYMZMJX-OAHLLOKOSA-N 0 0 293.363 1.603 40 70 CDIBRN C[C@@H](NC(=O)C=C(N)N)c1cccc(Br)c1 ZINC000217754906 359025370 /nfs/dbraw/zinc/02/53/70/359025370.db2.gz ZLTRYYWRQLEADG-SSDOTTSWSA-N 0 0 284.157 1.952 40 70 CDIBRN CC(C)CNC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000217961322 359033358 /nfs/dbraw/zinc/03/33/58/359033358.db2.gz FBMIYOMULVLPHB-TXEJJXNPSA-N 0 0 265.361 1.252 40 70 CDIBRN Nn1c(SCc2cccnc2)nnc1C(F)F ZINC000216903096 366212372 /nfs/dbraw/zinc/21/23/72/366212372.db2.gz YYPXVCVOEQRIFZ-UHFFFAOYSA-N 0 0 257.269 1.617 40 70 CDIBRN Cc1cc(S(=O)(=O)N2CCc3oncc3C2)ccc1F ZINC000217694525 189711622 /nfs/dbraw/zinc/71/16/22/189711622.db2.gz VPEPXVPBSOXENN-UHFFFAOYSA-N 0 0 296.323 1.869 40 70 CDIBRN O=C(CCc1ccccc1)NCC[C@@H](O)C1CCOCC1 ZINC000217914821 375760430 /nfs/dbraw/zinc/76/04/30/375760430.db2.gz YIANFFWAMPAXDI-MRXNPFEDSA-N 0 0 291.391 1.913 40 70 CDIBRN COC[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159541591 362275559 /nfs/dbraw/zinc/27/55/59/362275559.db2.gz KHQYRFMWRNDQGS-SECBINFHSA-N 0 0 268.263 1.932 40 70 CDIBRN CCc1ncnc(N[C@H](C)CN2CCOCC2)c1F ZINC000217974489 362698195 /nfs/dbraw/zinc/69/81/95/362698195.db2.gz JNKIONWTKAABBE-SNVBAGLBSA-N 0 0 268.336 1.311 40 70 CDIBRN CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O ZINC000217675240 189711480 /nfs/dbraw/zinc/71/14/80/189711480.db2.gz MVKURLHPYFDYGE-FGWVZKOKSA-N 0 0 288.413 1.104 40 70 CDIBRN NC(=O)c1sc(N2CCCC2)nc1C(F)(F)F ZINC000218732136 375806584 /nfs/dbraw/zinc/80/65/84/375806584.db2.gz XIYUFZSRGHMCLK-UHFFFAOYSA-N 0 0 265.260 1.861 40 70 CDIBRN Cn1cnnc1CN1CCN(c2ccccc2F)CC1 ZINC000160674178 292792096 /nfs/dbraw/zinc/79/20/96/292792096.db2.gz UHYJLHQPFMPPFJ-UHFFFAOYSA-N 0 0 275.331 1.276 40 70 CDIBRN CCCCOC(=O)c1ccc(NC(=O)C=C(N)N)cc1 ZINC000217752802 359025063 /nfs/dbraw/zinc/02/50/63/359025063.db2.gz OXHMKOVIPPQOQD-UHFFFAOYSA-N 0 0 277.324 1.908 40 70 CDIBRN Cc1cc(OC2CN(C(=O)C(C)(C)C)C2)cc(=O)n1C ZINC000217754330 256786549 /nfs/dbraw/zinc/78/65/49/256786549.db2.gz HPSJVWPIACUKOZ-UHFFFAOYSA-N 0 0 278.352 1.329 40 70 CDIBRN COC(=O)c1ccc(C[C@@H]2CNC(=O)OC2)s1 ZINC000218691517 375667329 /nfs/dbraw/zinc/66/73/29/375667329.db2.gz XPENLXMQAJDQCP-SSDOTTSWSA-N 0 0 255.295 1.433 40 70 CDIBRN O=C(NCC[C@H](O)C1CCOCC1)NCc1ccccc1 ZINC000217928494 375762547 /nfs/dbraw/zinc/76/25/47/375762547.db2.gz VUOXNDXUHAJMHS-HNNXBMFYSA-N 0 0 292.379 1.663 40 70 CDIBRN COc1cc(N)c(CC(=O)N2CCCCC2)cc1OC ZINC000217670844 359018103 /nfs/dbraw/zinc/01/81/03/359018103.db2.gz SOAHKKDWPGBADB-UHFFFAOYSA-N 0 0 278.352 1.841 40 70 CDIBRN Cc1cccc(C(=O)NCC[C@@H](O)C2CCOCC2)c1 ZINC000217913301 375760962 /nfs/dbraw/zinc/76/09/62/375760962.db2.gz XROIAORLCVDDQO-OAHLLOKOSA-N 0 0 277.364 1.902 40 70 CDIBRN Cc1ccc(Cc2nnc3sc(NN)nn23)cc1 ZINC000216755442 364095746 /nfs/dbraw/zinc/09/57/46/364095746.db2.gz IDYPJMOPVNTGLB-UHFFFAOYSA-N 0 0 260.326 1.371 40 70 CDIBRN Cc1noc(C)c1CCC(=O)N1CCc2oncc2C1 ZINC000217693200 189711203 /nfs/dbraw/zinc/71/12/03/189711203.db2.gz IUWXAVFTQXEOKA-UHFFFAOYSA-N 0 0 275.308 1.797 40 70 CDIBRN CCCc1nnsc1C(=O)N1CC[C@H](n2ccnn2)C1 ZINC000217686579 375704710 /nfs/dbraw/zinc/70/47/10/375704710.db2.gz RIDXPJFDHLFJAF-VIFPVBQESA-N 0 0 292.368 1.169 40 70 CDIBRN Cc1csc(C(=O)N2CC(N3C(=O)CCC3=O)C2)c1 ZINC000217714603 375714793 /nfs/dbraw/zinc/71/47/93/375714793.db2.gz RIZLENIMJUALFM-UHFFFAOYSA-N 0 0 278.333 1.030 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)C1CCOCC1 ZINC000218229433 348744637 /nfs/dbraw/zinc/74/46/37/348744637.db2.gz NRPSPEJVBIYLMW-UHFFFAOYSA-N 0 0 293.367 1.675 40 70 CDIBRN Cn1cccc1[C@H](O)CCNC(=O)[C@@H]1CC=CCC1 ZINC000217937937 189712750 /nfs/dbraw/zinc/71/27/50/189712750.db2.gz NXIKQKVWWDJEAH-TZMCWYRMSA-N 0 0 262.353 1.921 40 70 CDIBRN O=C(NCC[C@@H](O)C1CCOCC1)Nc1ccccc1 ZINC000217928168 375762220 /nfs/dbraw/zinc/76/22/20/375762220.db2.gz KQKBWRIVMKUHMK-CQSZACIVSA-N 0 0 278.352 1.986 40 70 CDIBRN CN1C(=O)CS[C@H]1c1cn(Cc2ccccc2)nn1 ZINC000216750994 358961325 /nfs/dbraw/zinc/96/13/25/358961325.db2.gz NYMIBFQYUBXKRY-ZDUSSCGKSA-N 0 0 274.349 1.530 40 70 CDIBRN O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CCCCCC1 ZINC000217964736 359033868 /nfs/dbraw/zinc/03/38/68/359033868.db2.gz WBCAXAYTYQFRON-OKILXGFUSA-N 0 0 291.399 1.882 40 70 CDIBRN Cc1cn2nc(C(=O)Nc3ccccc3)cc2c(=O)[nH]1 ZINC000217473917 391909389 /nfs/dbraw/zinc/90/93/89/391909389.db2.gz LFCBZJXJQBLCNH-UHFFFAOYSA-N 0 0 268.276 1.583 40 70 CDIBRN Cc1ncc(-c2nnc([C@@H]3CCCN(C=O)C3)o2)cn1 ZINC000216664026 279147592 /nfs/dbraw/zinc/14/75/92/279147592.db2.gz HZZSWCXEOZJHDN-SNVBAGLBSA-N 0 0 273.296 1.171 40 70 CDIBRN CC(C)Cc1noc(CN[C@H]2CCCCC[C@@H]2C(N)=O)n1 ZINC000159728268 345262002 /nfs/dbraw/zinc/26/20/02/345262002.db2.gz TXXBLQSVDMJJCA-RYUDHWBXSA-N 0 0 294.399 1.792 40 70 CDIBRN Cc1ccc(Cn2cc([C@@H]3SCC(=O)N3C)nn2)cc1 ZINC000216751276 358961490 /nfs/dbraw/zinc/96/14/90/358961490.db2.gz KHUJAMUDXNMGIM-AWEZNQCLSA-N 0 0 288.376 1.839 40 70 CDIBRN Cc1noc(C)c1CCNC(=O)Nc1ncco1 ZINC000159645902 345250649 /nfs/dbraw/zinc/25/06/49/345250649.db2.gz QAWUSGUVECEUOV-UHFFFAOYSA-N 0 0 250.258 1.644 40 70 CDIBRN COc1ccc([C@@H](C)NC(=O)C=C(N)N)cc1OC ZINC000217754306 359025327 /nfs/dbraw/zinc/02/53/27/359025327.db2.gz CXUQONGPULHSQK-MRVPVSSYSA-N 0 0 265.313 1.207 40 70 CDIBRN Nc1n[nH]c(-c2ccccc2)c1CC(=O)N1CCCC1 ZINC000217815320 189712457 /nfs/dbraw/zinc/71/24/57/189712457.db2.gz HABACNJECHKMHP-UHFFFAOYSA-N 0 0 270.336 1.824 40 70 CDIBRN O=C(CCc1ccccc1F)N1CC[C@@H](n2ccnn2)C1 ZINC000217687394 375704097 /nfs/dbraw/zinc/70/40/97/375704097.db2.gz HLSUDAQWBWBXPQ-CYBMUJFWSA-N 0 0 288.326 1.823 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)c1cnccn1 ZINC000218221202 347693194 /nfs/dbraw/zinc/69/31/94/347693194.db2.gz HZZWPNIQEDHEHO-UHFFFAOYSA-N 0 0 287.323 1.352 40 70 CDIBRN Cn1cccc1[C@H](O)CCNC(=O)COc1ccccc1 ZINC000217932821 375764922 /nfs/dbraw/zinc/76/49/22/375764922.db2.gz JJTFZWXCRDAKSO-OAHLLOKOSA-N 0 0 288.347 1.644 40 70 CDIBRN COC(=O)c1ccc(Cn2cc(C3OCCO3)nn2)cc1 ZINC000216748769 358961437 /nfs/dbraw/zinc/96/14/37/358961437.db2.gz YTQMCNHBWZZRMX-UHFFFAOYSA-N 0 0 289.291 1.158 40 70 CDIBRN NN=c1[nH]c2cc3sc(=NN)[nH]c3cc2s1 ZINC000216754610 283532729 /nfs/dbraw/zinc/53/27/29/283532729.db2.gz WBKQQCLJFILFQB-UHFFFAOYSA-N 0 0 252.328 1.477 40 70 CDIBRN CC(C)(C)C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217605431 360436018 /nfs/dbraw/zinc/43/60/18/360436018.db2.gz VZIRSIOYRMEGHM-UHFFFAOYSA-N 0 0 290.367 1.202 40 70 CDIBRN Cc1cccc(OCc2nnc3sc(NN)nn23)c1 ZINC000216761000 364096875 /nfs/dbraw/zinc/09/68/75/364096875.db2.gz VTUBQJFKLNQMQI-UHFFFAOYSA-N 0 0 276.325 1.359 40 70 CDIBRN O=C(NCCc1ccccc1)N1CC[C@H](n2ccnn2)C1 ZINC000217688275 375704076 /nfs/dbraw/zinc/70/40/76/375704076.db2.gz ALRZDKIHBDGVJM-AWEZNQCLSA-N 0 0 285.351 1.477 40 70 CDIBRN O=C(c1ccc(Br)o1)N1CC(n2ccnn2)C1 ZINC000217713377 375714213 /nfs/dbraw/zinc/71/42/13/375714213.db2.gz XVEDFDLLZXYPAG-UHFFFAOYSA-N 0 0 297.112 1.331 40 70 CDIBRN Cc1noc(C)c1C(=O)NCC[C@@H](O)C1CCOCC1 ZINC000217922443 375762311 /nfs/dbraw/zinc/76/23/11/375762311.db2.gz IQTBMVIJOQJXLH-GFCCVEGCSA-N 0 0 282.340 1.199 40 70 CDIBRN COC(=O)[C@@H](C)N(C)Cc1ccc(OC)c(C)c1 ZINC000160503290 370073949 /nfs/dbraw/zinc/07/39/49/370073949.db2.gz JMCRRMVTAIUPGR-LLVKDONJSA-N 0 0 251.326 1.997 40 70 CDIBRN Cc1ccc(N)c(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000217785758 262344450 /nfs/dbraw/zinc/34/44/50/262344450.db2.gz BUOIMWRTUAOBJQ-TXEJJXNPSA-N 0 0 262.353 1.756 40 70 CDIBRN Cc1csc(CN2CCOC[C@H]2c2nc(C)no2)n1 ZINC000160934322 323213252 /nfs/dbraw/zinc/21/32/52/323213252.db2.gz GCZVHWVMFBDNMZ-JTQLQIEISA-N 0 0 280.353 1.716 40 70 CDIBRN NC(N)=CC(=O)Nc1ccccc1Br ZINC000217744207 359024457 /nfs/dbraw/zinc/02/44/57/359024457.db2.gz HRGBANVXPBTXGC-UHFFFAOYSA-N 0 0 256.103 1.714 40 70 CDIBRN C[C@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1 ZINC000217510417 189710498 /nfs/dbraw/zinc/71/04/98/189710498.db2.gz DSFWZYQKRDYJFE-LBPRGKRZSA-N 0 0 285.390 1.658 40 70 CDIBRN CC(=O)Nc1ccc(C(=O)N2CCc3ncncc3C2)cc1 ZINC000217627045 375690354 /nfs/dbraw/zinc/69/03/54/375690354.db2.gz VPWPZFILZWDJIS-UHFFFAOYSA-N 0 0 296.330 1.634 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccncc1 ZINC000218221348 348744628 /nfs/dbraw/zinc/74/46/28/348744628.db2.gz CJOJESIFLPAAOS-UHFFFAOYSA-N 0 0 286.335 1.957 40 70 CDIBRN Cc1ccc(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(N)c1 ZINC000217779405 262344494 /nfs/dbraw/zinc/34/44/94/262344494.db2.gz HECDBYGUWPUNGG-RYUDHWBXSA-N 0 0 262.353 1.756 40 70 CDIBRN COc1cc(N)c(CC(=O)NC2CC2)cc1OC ZINC000217670384 359017882 /nfs/dbraw/zinc/01/78/82/359017882.db2.gz LRWPOKAVYUJAKX-UHFFFAOYSA-N 0 0 250.298 1.107 40 70 CDIBRN O=C(NCc1ccco1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000217960152 189712659 /nfs/dbraw/zinc/71/26/59/189712659.db2.gz JZTQNFPHKLAFGH-TXEJJXNPSA-N 0 0 289.339 1.389 40 70 CDIBRN COC(=O)c1ccc(C[C@H]2CNC(=O)OC2)s1 ZINC000218691590 375667785 /nfs/dbraw/zinc/66/77/85/375667785.db2.gz XPENLXMQAJDQCP-ZETCQYMHSA-N 0 0 255.295 1.433 40 70 CDIBRN CN1CCN(C(=O)Cc2noc(-c3ccccc3)n2)CC1 ZINC000216844920 262341115 /nfs/dbraw/zinc/34/11/15/262341115.db2.gz FLIJWRZFFDZXTD-UHFFFAOYSA-N 0 0 286.335 1.053 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)[C@@H]1CCOC1 ZINC000218233394 348744641 /nfs/dbraw/zinc/74/46/41/348744641.db2.gz SFEYAXWVTWWEHF-GFCCVEGCSA-N 0 0 279.340 1.285 40 70 CDIBRN CC(=O)N1CCC[C@@H](c2nnc(-c3cnc(C)nc3)o2)C1 ZINC000216658006 358955786 /nfs/dbraw/zinc/95/57/86/358955786.db2.gz XHPBINPGLWADDK-LLVKDONJSA-N 0 0 287.323 1.561 40 70 CDIBRN NC(N)=CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000217750337 359024354 /nfs/dbraw/zinc/02/43/54/359024354.db2.gz NWPXRLODTTVLTO-UHFFFAOYSA-N 0 0 280.759 1.315 40 70 CDIBRN CCOc1ccccc1C(=O)N1CC(n2ccnn2)C1 ZINC000217713052 359085641 /nfs/dbraw/zinc/08/56/41/359085641.db2.gz WVBGWTHHOMPSSZ-UHFFFAOYSA-N 0 0 272.308 1.374 40 70 CDIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 ZINC000216751813 189706404 /nfs/dbraw/zinc/70/64/04/189706404.db2.gz WIZIEBQFIYCLDI-CYBMUJFWSA-N 0 0 292.339 1.669 40 70 CDIBRN O=C([C@@H]1COc2ccccc2O1)N1CCc2oncc2C1 ZINC000217692084 280107873 /nfs/dbraw/zinc/10/78/73/280107873.db2.gz OFBGEJVACIBQAX-AWEZNQCLSA-N 0 0 286.287 1.399 40 70 CDIBRN Cc1nc2ccc(NC(=O)NCCCO)cc2nc1C ZINC000217302070 333120115 /nfs/dbraw/zinc/12/01/15/333120115.db2.gz PCDBPTSQSYVOMJ-UHFFFAOYSA-N 0 0 274.324 1.751 40 70 CDIBRN Cc1ccccc1Cn1cc([C@@H]2SCC(=O)N2C)nn1 ZINC000216751055 358961003 /nfs/dbraw/zinc/96/10/03/358961003.db2.gz QQYKTWMHCGBPKF-AWEZNQCLSA-N 0 0 288.376 1.839 40 70 CDIBRN C[S@](=O)c1nncn1-c1nc(C(C)(C)C)ns1 ZINC000159445094 359309337 /nfs/dbraw/zinc/30/93/37/359309337.db2.gz IBXJQFZMNWLSCK-QGZVFWFLSA-N 0 0 271.371 1.154 40 70 CDIBRN O=C(CCc1ccccc1)NCC[C@H](O)C1CCOCC1 ZINC000217914744 189711972 /nfs/dbraw/zinc/71/19/72/189711972.db2.gz YIANFFWAMPAXDI-INIZCTEOSA-N 0 0 291.391 1.913 40 70 CDIBRN O=C(NCC[C@H](O)C1CCOCC1)NC1CCCCC1 ZINC000217928295 189712875 /nfs/dbraw/zinc/71/28/75/189712875.db2.gz FHBOQDFJWNYKQT-AWEZNQCLSA-N 0 0 284.400 1.796 40 70 CDIBRN COc1ccc(CCNC(=O)OC(C)(C)C)nn1 ZINC000217569760 375674327 /nfs/dbraw/zinc/67/43/27/375674327.db2.gz YMRXXEVOUDRRSM-UHFFFAOYSA-N 0 0 253.302 1.552 40 70 CDIBRN CCOCC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217807309 375739053 /nfs/dbraw/zinc/73/90/53/375739053.db2.gz OPYKVWVMPKHEFK-LLVKDONJSA-N 0 0 293.367 1.765 40 70 CDIBRN CCOC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217982947 375771683 /nfs/dbraw/zinc/77/16/83/375771683.db2.gz SOLQTEHUMDXDQP-WCQYABFASA-N 0 0 299.417 1.542 40 70 CDIBRN Cn1cccc1[C@@H](O)CCNC(=O)c1cc(C2CC2)on1 ZINC000217937682 189713052 /nfs/dbraw/zinc/71/30/52/189713052.db2.gz URQOOWGEXLXSLQ-ZDUSSCGKSA-N 0 0 289.335 1.744 40 70 CDIBRN NC(=S)C1(S(=O)(=O)c2cccs2)CCOCC1 ZINC000217932575 375764147 /nfs/dbraw/zinc/76/41/47/375764147.db2.gz XLNOHDHQJDJOLG-UHFFFAOYSA-N 0 0 291.419 1.357 40 70 CDIBRN COc1cc(N)c(CC(=O)NCC(C)C)cc1OC ZINC000217670279 359017827 /nfs/dbraw/zinc/01/78/27/359017827.db2.gz PBJGCHZVEKRICN-UHFFFAOYSA-N 0 0 266.341 1.601 40 70 CDIBRN CCc1nnc(CN2C(=O)C[C@](C)(C(C)C)C2=O)o1 ZINC000160883375 364424442 /nfs/dbraw/zinc/42/44/42/364424442.db2.gz XUQVIVRIFKDXPG-CYBMUJFWSA-N 0 0 265.313 1.553 40 70 CDIBRN NC(N)=CC(=O)Nc1cccc(Br)c1 ZINC000217744317 189711813 /nfs/dbraw/zinc/71/18/13/189711813.db2.gz FDKRUTDRJOZQQN-UHFFFAOYSA-N 0 0 256.103 1.714 40 70 CDIBRN O=C(c1cc2ccccc2o1)N1CC(N2C(=O)CCC2=O)C1 ZINC000217715160 375713717 /nfs/dbraw/zinc/71/37/17/375713717.db2.gz RBMIZRYFNUZMJV-UHFFFAOYSA-N 0 0 298.298 1.406 40 70 CDIBRN Cn1cccc(C(=O)Nc2ccn3nccc3c2)c1=O ZINC000217951771 375766229 /nfs/dbraw/zinc/76/62/29/375766229.db2.gz XZXUPPPUIYSIKI-UHFFFAOYSA-N 0 0 268.276 1.285 40 70 CDIBRN CC(C)c1nsc(N2CCC[C@H]2CN2CCOCC2)n1 ZINC000160387606 364956448 /nfs/dbraw/zinc/95/64/48/364956448.db2.gz XEXZPWKTZWWABQ-LBPRGKRZSA-N 0 0 296.440 1.963 40 70 CDIBRN C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(F)cn2)C[C@@H](C)O1 ZINC000160483459 274350387 /nfs/dbraw/zinc/35/03/87/274350387.db2.gz SUYFQZWCEHGYBX-BZPMIXESSA-N 0 0 294.374 1.694 40 70 CDIBRN COc1cc(N)c(CC(=O)OC(C)C)cc1OC ZINC000217675241 189711218 /nfs/dbraw/zinc/71/12/18/189711218.db2.gz UYVWDAMJVRDDDK-UHFFFAOYSA-N 0 0 253.298 1.780 40 70 CDIBRN Nn1c(SCc2cccnc2)nnc1C(F)(F)F ZINC000216861136 262341097 /nfs/dbraw/zinc/34/10/97/262341097.db2.gz XALIHZJHVPKDLW-UHFFFAOYSA-N 0 0 275.259 1.698 40 70 CDIBRN Cc1cc(OC2CN(C(=O)c3ccccc3)C2)cc(=O)n1C ZINC000217754553 256786240 /nfs/dbraw/zinc/78/62/40/256786240.db2.gz WAZUAEUIFRQGCK-UHFFFAOYSA-N 0 0 298.342 1.597 40 70 CDIBRN Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H]2C(N)=S)cc1 ZINC000217994710 130765430 /nfs/dbraw/zinc/76/54/30/130765430.db2.gz UDBGWPCFMTXLGP-VHSXEESVSA-N 0 0 255.364 1.443 40 70 CDIBRN Cc1ccc(S(=O)(=O)[C@H]2C[C@@H]2C(N)=S)cc1 ZINC000217994786 375773079 /nfs/dbraw/zinc/77/30/79/375773079.db2.gz UDBGWPCFMTXLGP-UWVGGRQHSA-N 0 0 255.364 1.443 40 70 CDIBRN COc1ccccc1Nc1cc(N2CCN(C)CC2)ncn1 ZINC000216847254 262341348 /nfs/dbraw/zinc/34/13/48/262341348.db2.gz YMXGNJQHLHDRFO-UHFFFAOYSA-N 0 0 299.378 1.981 40 70 CDIBRN CC(C)COc1ccc(C(N)=S)cc1C(N)=S ZINC000217376484 348728393 /nfs/dbraw/zinc/72/83/93/348728393.db2.gz LPSLBTBUAGKOJQ-UHFFFAOYSA-N 0 0 268.407 1.990 40 70 CDIBRN CCCOC(=O)Cc1cc(OC)c(OC)cc1N ZINC000217675120 359018874 /nfs/dbraw/zinc/01/88/74/359018874.db2.gz AGJFOYUYPFDZQU-UHFFFAOYSA-N 0 0 253.298 1.782 40 70 CDIBRN O=C(NCC[C@@H](O)C1CCOCC1)NC1CCCCC1 ZINC000217928373 375762371 /nfs/dbraw/zinc/76/23/71/375762371.db2.gz FHBOQDFJWNYKQT-CQSZACIVSA-N 0 0 284.400 1.796 40 70 CDIBRN Cc1nc(NC(=O)c2ccc(=O)n(C)n2)cc(C2CC2)n1 ZINC000160104438 375722685 /nfs/dbraw/zinc/72/26/85/375722685.db2.gz ZOLDUNPCRARVNL-UHFFFAOYSA-N 0 0 285.307 1.008 40 70 CDIBRN COc1ccccc1OCC(=O)N1CCc2oncc2C1 ZINC000217692295 375706162 /nfs/dbraw/zinc/70/61/62/375706162.db2.gz YJVTWBLPAURWGY-UHFFFAOYSA-N 0 0 288.303 1.647 40 70 CDIBRN COCC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217982794 375771956 /nfs/dbraw/zinc/77/19/56/375771956.db2.gz FPCZMLYHSNNSSR-CQSZACIVSA-N 0 0 263.293 1.403 40 70 CDIBRN CCCNc1ccc(N)cc1C(=O)N1CCOCC1 ZINC000217679034 359018655 /nfs/dbraw/zinc/01/86/55/359018655.db2.gz PLKRFEACXGTJEA-UHFFFAOYSA-N 0 0 263.341 1.563 40 70 CDIBRN CCc1nsc(N2CCC[C@H]2CN2CCOCC2)n1 ZINC000160403362 365001135 /nfs/dbraw/zinc/00/11/35/365001135.db2.gz GEAFTCLNNQUNIV-NSHDSACASA-N 0 0 282.413 1.402 40 70 CDIBRN CC[C@H](C)NC(=O)Cc1cc(OC)c(OC)cc1N ZINC000217670174 189710796 /nfs/dbraw/zinc/71/07/96/189710796.db2.gz DBCXSFCSMAIYDK-VIFPVBQESA-N 0 0 266.341 1.743 40 70 CDIBRN Cc1csc(C(=O)NCC[C@@H](O)C2CCOCC2)c1 ZINC000217913868 375761296 /nfs/dbraw/zinc/76/12/96/375761296.db2.gz GJJLVFXHRVTEOW-GFCCVEGCSA-N 0 0 283.393 1.964 40 70 CDIBRN CC(=O)N[C@@]12C[C@@H]3C[C@@H](C[C@@](CO[N+](=O)[O-])(C3)C1)C2 ZINC000217464795 278152738 /nfs/dbraw/zinc/15/27/38/278152738.db2.gz PRQZSDWFVWBTCH-FNFFVJSTSA-N 0 0 268.313 1.670 40 70 CDIBRN COCc1csc(NC(=O)Nc2ccn(C)n2)n1 ZINC000161358029 323213258 /nfs/dbraw/zinc/21/32/58/323213258.db2.gz ILYHNPRNVIWCPC-UHFFFAOYSA-N 0 0 267.314 1.667 40 70 CDIBRN CCN1C(=O)CS[C@H]1c1cn(Cc2ccccc2)nn1 ZINC000216752867 358961178 /nfs/dbraw/zinc/96/11/78/358961178.db2.gz PXLKQYABNNAWEQ-AWEZNQCLSA-N 0 0 288.376 1.920 40 70 CDIBRN Cc1nnsc1C(=O)NCCSC1CCOCC1 ZINC000217699817 375706387 /nfs/dbraw/zinc/70/63/87/375706387.db2.gz JQDGDXCQPKQNCY-UHFFFAOYSA-N 0 0 287.410 1.489 40 70 CDIBRN COC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217994217 375773428 /nfs/dbraw/zinc/77/34/28/375773428.db2.gz VKYBKTUPRKTLQH-DGCLKSJQSA-N 0 0 299.417 1.460 40 70 CDIBRN Cc1ncncc1-c1nnc([C@@H]2CCCN(C=O)C2)o1 ZINC000216664470 358956857 /nfs/dbraw/zinc/95/68/57/358956857.db2.gz YBDMPPDULYYLKS-SNVBAGLBSA-N 0 0 273.296 1.171 40 70 CDIBRN CC(=O)N1CCC[C@H](c2nnc(-c3cncnc3C)o2)C1 ZINC000216660223 539041251 /nfs/dbraw/zinc/04/12/51/539041251.db2.gz MJDSGLJXNWSAHQ-NSHDSACASA-N 0 0 287.323 1.561 40 70 CDIBRN CCc1ccc(S(=O)(=O)N2CC(n3ccnn3)C2)s1 ZINC000217713920 375713689 /nfs/dbraw/zinc/71/36/89/375713689.db2.gz IDKPKJXIOWBTOJ-UHFFFAOYSA-N 0 0 298.393 1.148 40 70 CDIBRN COCC(=O)NC[C@](C)(O)c1cc2ccccc2o1 ZINC000217982863 375771784 /nfs/dbraw/zinc/77/17/84/375771784.db2.gz FPCZMLYHSNNSSR-AWEZNQCLSA-N 0 0 263.293 1.403 40 70 CDIBRN Cc1cccc(Cn2cc([C@H]3SCC(=O)N3C)nn2)c1 ZINC000216751207 358960905 /nfs/dbraw/zinc/96/09/05/358960905.db2.gz WAKJGGYVZGASQB-CQSZACIVSA-N 0 0 288.376 1.839 40 70 CDIBRN COc1cccc(Nc2cc(N3CCN(C)CC3)ncn2)c1 ZINC000216847294 262341231 /nfs/dbraw/zinc/34/12/31/262341231.db2.gz MNSKJSQCTCKVMT-UHFFFAOYSA-N 0 0 299.378 1.981 40 70 CDIBRN Cc1ccc(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(N)c1 ZINC000217779476 262344507 /nfs/dbraw/zinc/34/45/07/262344507.db2.gz HECDBYGUWPUNGG-VXGBXAGGSA-N 0 0 262.353 1.756 40 70 CDIBRN Cc1cc(C(=O)N2CC(Oc3nccs3)C2)n(C)n1 ZINC000217685543 189711561 /nfs/dbraw/zinc/71/15/61/189711561.db2.gz VKZWMSAHDTXCLW-UHFFFAOYSA-N 0 0 278.337 1.088 40 70 CDIBRN C[C@](O)(CNS(C)(=O)=O)c1cc2ccccc2o1 ZINC000217996191 189712798 /nfs/dbraw/zinc/71/27/98/189712798.db2.gz HRNKFTSBJWTYLJ-LBPRGKRZSA-N 0 0 269.322 1.190 40 70 CDIBRN CCn1cc(-c2nc(CCCOC)cc(=O)[nH]2)cn1 ZINC000217789618 375732954 /nfs/dbraw/zinc/73/29/54/375732954.db2.gz OPGXZLDZKCPAHY-UHFFFAOYSA-N 0 0 262.313 1.645 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)N1CCOCC1 ZINC000218239144 348744594 /nfs/dbraw/zinc/74/45/94/348744594.db2.gz HUMJACPORTWEEW-UHFFFAOYSA-N 0 0 294.355 1.174 40 70 CDIBRN COC(CN1CCO[C@H](c2ccccc2C)C1)OC ZINC000161245042 367805629 /nfs/dbraw/zinc/80/56/29/367805629.db2.gz GALMQZHJWJLNAJ-AWEZNQCLSA-N 0 0 265.353 1.987 40 70 CDIBRN Cc1cc(C[C@@H](C)NC(=O)Nc2cccn(C)c2=O)n[nH]1 ZINC000160759779 374391976 /nfs/dbraw/zinc/39/19/76/374391976.db2.gz YLQAAJNHXKBVQL-SECBINFHSA-N 0 0 289.339 1.170 40 70 CDIBRN Cc1nc2ccc(NC(=O)NCCO)cc2nc1C ZINC000217302114 333120116 /nfs/dbraw/zinc/12/01/16/333120116.db2.gz PYFXIQCXKLZXBS-UHFFFAOYSA-N 0 0 260.297 1.360 40 70 CDIBRN COCCNC(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218237952 348744684 /nfs/dbraw/zinc/74/46/84/348744684.db2.gz YBSWQAPYQNWJDP-UHFFFAOYSA-N 0 0 282.344 1.078 40 70 CDIBRN CC[C@@H](Nc1ccc(Cn2cncn2)cc1)C(=O)OC ZINC000159488532 188428745 /nfs/dbraw/zinc/42/87/45/188428745.db2.gz FGPHOPVKARCFEH-CYBMUJFWSA-N 0 0 274.324 1.690 40 70 CDIBRN Cc1ccccc1Cn1cc([C@H]2SCC(=O)N2C)nn1 ZINC000216751105 358961463 /nfs/dbraw/zinc/96/14/63/358961463.db2.gz QQYKTWMHCGBPKF-CQSZACIVSA-N 0 0 288.376 1.839 40 70 CDIBRN Cc1cc(OC2CN(C(=O)NC(C)(C)C)C2)cc(=O)o1 ZINC000217752613 375724234 /nfs/dbraw/zinc/72/42/34/375724234.db2.gz XDCXEBIPZCCGTL-UHFFFAOYSA-N 0 0 280.324 1.519 40 70 CDIBRN COc1ccc(C(=O)NCC[C@H](O)C2CCOCC2)cc1 ZINC000217915124 375760390 /nfs/dbraw/zinc/76/03/90/375760390.db2.gz GFIKZVLZYMZMJX-HNNXBMFYSA-N 0 0 293.363 1.603 40 70 CDIBRN Cc1ncc(-c2nnc([C@H]3CCCN(C=O)C3)o2)cn1 ZINC000216664078 189705735 /nfs/dbraw/zinc/70/57/35/189705735.db2.gz HZZSWCXEOZJHDN-JTQLQIEISA-N 0 0 273.296 1.171 40 70 CDIBRN CS(=O)(=O)NCc1ccc([C@H](O)c2ccccc2)s1 ZINC000217547991 189710441 /nfs/dbraw/zinc/71/04/41/189710441.db2.gz JRQNGZINPXNGSQ-CYBMUJFWSA-N 0 0 297.401 1.879 40 70 CDIBRN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ncccc1=O ZINC000217589681 375680257 /nfs/dbraw/zinc/68/02/57/375680257.db2.gz QMCFAYYYBZOMHO-FOSCPWQOSA-N 0 0 293.392 1.128 40 70 CDIBRN Cc1cc(C[C@H](C)NC(=O)Nc2cccn(C)c2=O)n[nH]1 ZINC000160759873 188489431 /nfs/dbraw/zinc/48/94/31/188489431.db2.gz YLQAAJNHXKBVQL-VIFPVBQESA-N 0 0 289.339 1.170 40 70 CDIBRN COC(=O)[C@H]1CCCN(C(=O)NCCCSC)C1 ZINC000160371235 188469311 /nfs/dbraw/zinc/46/93/11/188469311.db2.gz FQUJUZBRKRLDOW-JTQLQIEISA-N 0 0 274.386 1.334 40 70 CDIBRN CS(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217819477 375742143 /nfs/dbraw/zinc/74/21/43/375742143.db2.gz VNGYRRMGEZHYOM-VIFPVBQESA-N 0 0 285.369 1.161 40 70 CDIBRN C[C@@H]1CN(C[C@@H]2CCCN2c2ncc(F)cn2)C[C@H](C)O1 ZINC000160483225 391071086 /nfs/dbraw/zinc/07/10/86/391071086.db2.gz SUYFQZWCEHGYBX-SCRDCRAPSA-N 0 0 294.374 1.694 40 70 CDIBRN CC(C)Cc1noc(CN[C@@H]2CCCCC[C@@H]2C(N)=O)n1 ZINC000159728126 345262200 /nfs/dbraw/zinc/26/22/00/345262200.db2.gz TXXBLQSVDMJJCA-NWDGAFQWSA-N 0 0 294.399 1.792 40 70 CDIBRN CCN(CC)C(=O)Cc1cc(OC)c(OC)cc1N ZINC000217669519 359017887 /nfs/dbraw/zinc/01/78/87/359017887.db2.gz FEACTJHOJLXYTI-UHFFFAOYSA-N 0 0 266.341 1.697 40 70 CDIBRN CS(=O)(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 ZINC000217548076 189710255 /nfs/dbraw/zinc/71/02/55/189710255.db2.gz JRQNGZINPXNGSQ-ZDUSSCGKSA-N 0 0 297.401 1.879 40 70 CDIBRN O=C(CCc1ccccc1F)N1CC[C@H](n2ccnn2)C1 ZINC000217687311 189711179 /nfs/dbraw/zinc/71/11/79/189711179.db2.gz HLSUDAQWBWBXPQ-ZDUSSCGKSA-N 0 0 288.326 1.823 40 70 CDIBRN Cc1noc(C)c1C(=O)NCC[C@H](O)C1CCOCC1 ZINC000217922360 189712406 /nfs/dbraw/zinc/71/24/06/189712406.db2.gz IQTBMVIJOQJXLH-LBPRGKRZSA-N 0 0 282.340 1.199 40 70 CDIBRN Cc1csc(CN2CCOC[C@@H]2c2nc(C)no2)n1 ZINC000160934193 323213255 /nfs/dbraw/zinc/21/32/55/323213255.db2.gz GCZVHWVMFBDNMZ-SNVBAGLBSA-N 0 0 280.353 1.716 40 70 CDIBRN O=C(NCC[C@H](O)C1CCOCC1)c1c(F)cccc1F ZINC000217915489 375760481 /nfs/dbraw/zinc/76/04/81/375760481.db2.gz GRBMDDZNYMEJLV-ZDUSSCGKSA-N 0 0 299.317 1.872 40 70 CDIBRN CNC(=O)C(C)(C)CNc1cc(C)nc(COC)n1 ZINC000161092647 188507604 /nfs/dbraw/zinc/50/76/04/188507604.db2.gz NTKQEVPHXZGRTR-UHFFFAOYSA-N 0 0 266.345 1.116 40 70 CDIBRN CC(C)Cc1noc(CN[C@H]2CCCCC[C@H]2C(N)=O)n1 ZINC000159728531 345262158 /nfs/dbraw/zinc/26/21/58/345262158.db2.gz TXXBLQSVDMJJCA-NEPJUHHUSA-N 0 0 294.399 1.792 40 70 CDIBRN Cc1cc(NC(=O)COc2c(C)nn(C)c2C)n[nH]1 ZINC000160863473 364421151 /nfs/dbraw/zinc/42/11/51/364421151.db2.gz BYNMOLQIRNMSQV-UHFFFAOYSA-N 0 0 263.301 1.086 40 70 CDIBRN Cc1cc(C(=O)NCCSC2CCOCC2)no1 ZINC000217699017 375705728 /nfs/dbraw/zinc/70/57/28/375705728.db2.gz DESBBDWSRRFPJI-UHFFFAOYSA-N 0 0 270.354 1.625 40 70 CDIBRN CCCc1nnc2sc(-n3nc(C)cc3C)nn12 ZINC000216756055 364096373 /nfs/dbraw/zinc/09/63/73/364096373.db2.gz FAPGKONEBYKJQP-UHFFFAOYSA-N 0 0 262.342 1.941 40 70 CDIBRN CC(C)c1nsc(N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000160387493 364956531 /nfs/dbraw/zinc/95/65/31/364956531.db2.gz XEXZPWKTZWWABQ-GFCCVEGCSA-N 0 0 296.440 1.963 40 70 CDIBRN CC(=O)N[C@@]12C[C@H]3C[C@@H](C1)C[C@](O[N+](=O)[O-])(C3)C2 ZINC000217342273 277050212 /nfs/dbraw/zinc/05/02/12/277050212.db2.gz DMXFZOUOBPFBEZ-IWDIQUIJSA-N 0 0 254.286 1.422 40 70 CDIBRN COC[C@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217982767 362942425 /nfs/dbraw/zinc/94/24/25/362942425.db2.gz QKBQPEDSYAKSIG-ZYHUDNBSSA-N 0 0 285.390 1.152 40 70 CDIBRN O=C(Nc1ccccc1F)N1CC[C@H](n2ccnn2)C1 ZINC000217689426 189711227 /nfs/dbraw/zinc/71/12/27/189711227.db2.gz SVRNKQXJAGUJMV-JTQLQIEISA-N 0 0 275.287 1.896 40 70 CDIBRN COc1ccc(-n2nnc(N)c2C(F)(F)F)cc1 ZINC000218690154 375671356 /nfs/dbraw/zinc/67/13/56/375671356.db2.gz SNBCOEIUIFGTHE-UHFFFAOYSA-N 0 0 258.203 1.877 40 70 CDIBRN Cc1cc(C(=O)NCC[C@H](O)C2CCOCC2)c(C)o1 ZINC000217913607 375761159 /nfs/dbraw/zinc/76/11/59/375761159.db2.gz GVMVCDVYKHUEAO-AWEZNQCLSA-N 0 0 281.352 1.804 40 70 CDIBRN CC[C@@H](C)NC(=O)Cc1cc(OC)c(OC)cc1N ZINC000217670089 359018047 /nfs/dbraw/zinc/01/80/47/359018047.db2.gz DBCXSFCSMAIYDK-SECBINFHSA-N 0 0 266.341 1.743 40 70 CDIBRN CN1CCN(c2cc(Nc3ccccc3)ncn2)CC1 ZINC000216845846 262341161 /nfs/dbraw/zinc/34/11/61/262341161.db2.gz PXWYROKYCVQDIY-UHFFFAOYSA-N 0 0 269.352 1.972 40 70 CDIBRN NNc1nn2c(COc3ccccc3)nnc2s1 ZINC000216760817 189706454 /nfs/dbraw/zinc/70/64/54/189706454.db2.gz AEFXRIKIKQIERW-UHFFFAOYSA-N 0 0 262.298 1.050 40 70 CDIBRN Cn1cccc1[C@@H](O)CCNC(=O)[C@@H]1CC=CCC1 ZINC000217938021 189712801 /nfs/dbraw/zinc/71/28/01/189712801.db2.gz NXIKQKVWWDJEAH-OCCSQVGLSA-N 0 0 262.353 1.921 40 70 CDIBRN O=C(NC1CCCCC1)N1CC[C@H](n2ccnn2)C1 ZINC000217688921 375704124 /nfs/dbraw/zinc/70/41/24/375704124.db2.gz NCWHDIDBJLERQE-LBPRGKRZSA-N 0 0 263.345 1.567 40 70 CDIBRN C[C@@](O)(CNS(=O)(=O)C1CC1)c1cc2ccccc2o1 ZINC000217996519 375775054 /nfs/dbraw/zinc/77/50/54/375775054.db2.gz VQMDQHUANKALOD-CQSZACIVSA-N 0 0 295.360 1.722 40 70 CDIBRN CCc1nsc(N2CCC[C@@H]2CN2CCOCC2)n1 ZINC000160403239 365000275 /nfs/dbraw/zinc/00/02/75/365000275.db2.gz GEAFTCLNNQUNIV-LLVKDONJSA-N 0 0 282.413 1.402 40 70 CDIBRN C[C@@H](NC(=O)C=C(N)N)c1ccc(Br)cc1 ZINC000217753915 359025149 /nfs/dbraw/zinc/02/51/49/359025149.db2.gz XOIDFGCERKJGDQ-SSDOTTSWSA-N 0 0 284.157 1.952 40 70 CDIBRN COc1cc(N)c(CC(=O)NC(C)(C)C)cc1OC ZINC000217669982 359017871 /nfs/dbraw/zinc/01/78/71/359017871.db2.gz JAAZGWPHGAGYBM-UHFFFAOYSA-N 0 0 266.341 1.743 40 70 CDIBRN CCc1nnc(Cn2cc(NC(=O)C(C)(C)C)cn2)o1 ZINC000160897480 364423581 /nfs/dbraw/zinc/42/35/81/364423581.db2.gz PAWBSERAVBWMPD-UHFFFAOYSA-N 0 0 277.328 1.861 40 70 CDIBRN Cc1cccc(Cn2cc([C@@H]3SCC(=O)N3C)nn2)c1 ZINC000216751168 358961459 /nfs/dbraw/zinc/96/14/59/358961459.db2.gz WAKJGGYVZGASQB-AWEZNQCLSA-N 0 0 288.376 1.839 40 70 CDIBRN COc1cc(NC(=O)C=C(N)N)c(OC)cc1Cl ZINC000217753033 359024875 /nfs/dbraw/zinc/02/48/75/359024875.db2.gz ZLHXKTRVCPSMFU-UHFFFAOYSA-N 0 0 271.704 1.622 40 70 CDIBRN CCc1ncnc(N2CCC[C@H]2CN2CCOCC2)c1F ZINC000160423388 369299499 /nfs/dbraw/zinc/29/94/99/369299499.db2.gz MUJXOFPSIQPULA-LBPRGKRZSA-N 0 0 294.374 1.479 40 70 CDIBRN C[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2s1 ZINC000217510340 375660398 /nfs/dbraw/zinc/66/03/98/375660398.db2.gz DSFWZYQKRDYJFE-GFCCVEGCSA-N 0 0 285.390 1.658 40 70 CDIBRN C[C@](O)(CNS(=O)(=O)C1CC1)c1cc2ccccc2o1 ZINC000217996609 375774704 /nfs/dbraw/zinc/77/47/04/375774704.db2.gz VQMDQHUANKALOD-AWEZNQCLSA-N 0 0 295.360 1.722 40 70 CDIBRN CCCNC(=O)Cc1cc(OC)c(OC)cc1N ZINC000217669646 359017961 /nfs/dbraw/zinc/01/79/61/359017961.db2.gz VUPOSDXVLXBYPL-UHFFFAOYSA-N 0 0 252.314 1.355 40 70 CDIBRN CCc1ncnc(N2CCC[C@@H]2CN2CCOCC2)c1F ZINC000160423259 369298830 /nfs/dbraw/zinc/29/88/30/369298830.db2.gz MUJXOFPSIQPULA-GFCCVEGCSA-N 0 0 294.374 1.479 40 70 CDIBRN O=C(c1ccccc1F)N1CC[C@H](n2ccnn2)C1 ZINC000217685828 375704977 /nfs/dbraw/zinc/70/49/77/375704977.db2.gz LZMCOHHHZNSURT-JTQLQIEISA-N 0 0 260.272 1.504 40 70 CDIBRN Cc1cc(N2CCC[C@H]2CN2CCOCC2)ncn1 ZINC000160400438 391380370 /nfs/dbraw/zinc/38/03/70/391380370.db2.gz CLPYXGCTDFDVPG-ZDUSSCGKSA-N 0 0 262.357 1.086 40 70 CDIBRN COC[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000159541701 188431327 /nfs/dbraw/zinc/43/13/27/188431327.db2.gz KHQYRFMWRNDQGS-VIFPVBQESA-N 0 0 268.263 1.932 40 70 CDIBRN CN1c2ccc(C(N)=O)cc2-c2ccccc2S1(=O)=O ZINC000216890205 283263211 /nfs/dbraw/zinc/26/32/11/283263211.db2.gz YYAZOKVWYCVAEG-UHFFFAOYSA-N 0 0 288.328 1.591 40 70 CDIBRN Cn1cccc1[C@H](O)CCNC(=O)c1cc(C2CC2)on1 ZINC000217937603 375764118 /nfs/dbraw/zinc/76/41/18/375764118.db2.gz URQOOWGEXLXSLQ-CYBMUJFWSA-N 0 0 289.335 1.744 40 70 CDIBRN COC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217982616 375771791 /nfs/dbraw/zinc/77/17/91/375771791.db2.gz QKBQPEDSYAKSIG-CMPLNLGQSA-N 0 0 285.390 1.152 40 70 CDIBRN Cc1ccc(N)c(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000217785841 262344395 /nfs/dbraw/zinc/34/43/95/262344395.db2.gz BUOIMWRTUAOBJQ-RYUDHWBXSA-N 0 0 262.353 1.756 40 70 CDIBRN O=C(Nc1nccs1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218111144 262345711 /nfs/dbraw/zinc/34/57/11/262345711.db2.gz MBZBMMXUDQABEI-AOOOYVTPSA-N 0 0 292.368 1.575 40 70 CDIBRN CN1C(=O)CS[C@H]1c1cn(Cc2ccccc2F)nn1 ZINC000216751749 358961411 /nfs/dbraw/zinc/96/14/11/358961411.db2.gz AFEQZDPVTYWIRM-ZDUSSCGKSA-N 0 0 292.339 1.669 40 70 CDIBRN O=C(CCNC(=O)Nc1ncco1)N1CCCCCC1 ZINC000160028273 345570012 /nfs/dbraw/zinc/57/00/12/345570012.db2.gz FMPIQMAQPPKLGY-UHFFFAOYSA-N 0 0 280.328 1.589 40 70 CDIBRN CCN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2)nn1 ZINC000216752822 358961299 /nfs/dbraw/zinc/96/12/99/358961299.db2.gz PXLKQYABNNAWEQ-CQSZACIVSA-N 0 0 288.376 1.920 40 70 CDIBRN C[C@H](NC(=O)C=C(N)N)c1ccc(Br)cc1 ZINC000217754011 359025241 /nfs/dbraw/zinc/02/52/41/359025241.db2.gz XOIDFGCERKJGDQ-ZETCQYMHSA-N 0 0 284.157 1.952 40 70 CDIBRN COc1cc(N)c(CC(=O)NC(C)C)cc1OC ZINC000217669754 189710964 /nfs/dbraw/zinc/71/09/64/189710964.db2.gz OHHWADZCASYOTQ-UHFFFAOYSA-N 0 0 252.314 1.353 40 70 CDIBRN CCOC(=O)c1n[nH]c2c1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000217917723 375762622 /nfs/dbraw/zinc/76/26/22/375762622.db2.gz LWSVFVANDQKWQI-QMMMGPOBSA-N 0 0 295.339 1.578 40 70 CDIBRN CN1C(=O)CS[C@@H]1c1cn(Cc2ccccc2)nn1 ZINC000216750962 358961354 /nfs/dbraw/zinc/96/13/54/358961354.db2.gz NYMIBFQYUBXKRY-CYBMUJFWSA-N 0 0 274.349 1.530 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccno1 ZINC000218196194 364457370 /nfs/dbraw/zinc/45/73/70/364457370.db2.gz FDPGOXWDRARUFK-UHFFFAOYSA-N 0 0 276.296 1.550 40 70 CDIBRN O=C(NCCSC1CCOCC1)c1ccco1 ZINC000217698778 189711426 /nfs/dbraw/zinc/71/14/26/189711426.db2.gz NTIMMCTVZMXGEE-UHFFFAOYSA-N 0 0 255.339 1.922 40 70 CDIBRN O=C(COc1ccccc1F)N1CCc2oncc2C1 ZINC000217691805 375706332 /nfs/dbraw/zinc/70/63/32/375706332.db2.gz ZWVAMUNAKNFVSX-UHFFFAOYSA-N 0 0 276.267 1.777 40 70 CDIBRN CC(C)NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000217962888 359033535 /nfs/dbraw/zinc/03/35/35/359033535.db2.gz WRKZVRMCCXKXIY-PHIMTYICSA-N 0 0 251.334 1.004 40 70 CDIBRN CC(C)(C)c1nsc(NCC2(C(N)=O)CCOCC2)n1 ZINC000159435258 359134537 /nfs/dbraw/zinc/13/45/37/359134537.db2.gz LEZUDWNWEASQTR-UHFFFAOYSA-N 0 0 298.412 1.530 40 70 CDIBRN COc1cccc(CN2CCOC[C@H]2c2nc(C)no2)n1 ZINC000161205225 367603928 /nfs/dbraw/zinc/60/39/28/367603928.db2.gz CXRHAHXMFOTXNS-LBPRGKRZSA-N 0 0 290.323 1.355 40 70 CDIBRN Cn1ccc(NC(=O)Nc2ccnn2CC2CC2)n1 ZINC000160045079 375442199 /nfs/dbraw/zinc/44/21/99/375442199.db2.gz ABPBSIJYVWCORM-UHFFFAOYSA-N 0 0 260.301 1.671 40 70 CDIBRN Cc1cc(O[C@H]2CCN(C(=O)c3ccco3)C2)cc(=O)o1 ZINC000217770086 391920412 /nfs/dbraw/zinc/92/04/12/391920412.db2.gz ZLHNOKPRKQQUNZ-NSHDSACASA-N 0 0 289.287 1.835 40 70 CDIBRN CCCCNC(=O)Cc1cc(OC)c(OC)cc1N ZINC000217669872 359018011 /nfs/dbraw/zinc/01/80/11/359018011.db2.gz AUVQMEARGNFJTM-UHFFFAOYSA-N 0 0 266.341 1.745 40 70 CDIBRN NC(N)=CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000217749588 359024414 /nfs/dbraw/zinc/02/44/14/359024414.db2.gz AOWYJKLBOXXUNO-UHFFFAOYSA-N 0 0 259.353 1.794 40 70 CDIBRN CCc1nnc(CN2C(=O)C[C@@](C)(C(C)C)C2=O)o1 ZINC000160883252 364424537 /nfs/dbraw/zinc/42/45/37/364424537.db2.gz XUQVIVRIFKDXPG-ZDUSSCGKSA-N 0 0 265.313 1.553 40 70 CDIBRN COc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)n1 ZINC000161205314 188514573 /nfs/dbraw/zinc/51/45/73/188514573.db2.gz CXRHAHXMFOTXNS-GFCCVEGCSA-N 0 0 290.323 1.355 40 70 CDIBRN Cc1ccccc1Cc1nnc2sc(NN)nn12 ZINC000216755369 364095884 /nfs/dbraw/zinc/09/58/84/364095884.db2.gz BRTDYZJZTUYPEO-UHFFFAOYSA-N 0 0 260.326 1.371 40 70 CDIBRN CCS(=O)(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217819670 375742828 /nfs/dbraw/zinc/74/28/28/375742828.db2.gz HWRUGMBAMDNOLO-JTQLQIEISA-N 0 0 299.396 1.551 40 70 CDIBRN Cc1ccc(Cn2cc([C@H]3SCC(=O)N3C)nn2)cc1 ZINC000216751325 358961430 /nfs/dbraw/zinc/96/14/30/358961430.db2.gz KHUJAMUDXNMGIM-CQSZACIVSA-N 0 0 288.376 1.839 40 70 CDIBRN COc1ccc([C@H](C)NC(=O)C=C(N)N)cc1OC ZINC000217754383 359024960 /nfs/dbraw/zinc/02/49/60/359024960.db2.gz CXUQONGPULHSQK-QMMMGPOBSA-N 0 0 265.313 1.207 40 70 CDIBRN O=S(=O)(c1ccccc1Cl)N1CC(n2ccnn2)C1 ZINC000217714033 359087359 /nfs/dbraw/zinc/08/73/59/359087359.db2.gz IKZVMZOQBIMJIX-UHFFFAOYSA-N 0 0 298.755 1.177 40 70 CDIBRN Cc1noc(C)c1Cn1ncn2nc3c(c2c1=O)CCCC3 ZINC000217495461 375659685 /nfs/dbraw/zinc/65/96/85/375659685.db2.gz QOJYFNVKXOUZIC-UHFFFAOYSA-N 0 0 299.334 1.423 40 70 CDIBRN CCS(=O)(=O)NCCn1nc(-c2cccs2)cc1C ZINC000217876536 375756064 /nfs/dbraw/zinc/75/60/64/375756064.db2.gz YXVOVGQPBBSLOE-UHFFFAOYSA-N 0 0 299.421 1.859 40 70 CDIBRN CC(C)(C)c1nsc(N[C@H]2CCCN(C(N)=O)C2)n1 ZINC000159762379 188440472 /nfs/dbraw/zinc/44/04/72/188440472.db2.gz GBBLJNCYHBVRKJ-QMMMGPOBSA-N 0 0 283.401 1.791 40 70 CDIBRN NNc1nn2c(CSc3ccccc3)nnc2s1 ZINC000216760879 364096840 /nfs/dbraw/zinc/09/68/40/364096840.db2.gz QKKSAMMEYRVCAO-UHFFFAOYSA-N 0 0 278.366 1.764 40 70 CDIBRN O=C(c1cc(=O)c2ccccc2o1)N1CC(n2ccnn2)C1 ZINC000217713164 189711508 /nfs/dbraw/zinc/71/15/08/189711508.db2.gz IHFXWMHVQFSMKR-UHFFFAOYSA-N 0 0 296.286 1.082 40 70 CDIBRN Cc1cc2ncc3c(n2n1)CCN(C(=O)c1ccoc1)C3 ZINC000217711789 391920274 /nfs/dbraw/zinc/92/02/74/391920274.db2.gz ZCPBBPUWGCVICO-UHFFFAOYSA-N 0 0 282.303 1.829 40 70 CDIBRN O=C(Nc1cccnc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000218239436 359046638 /nfs/dbraw/zinc/04/66/38/359046638.db2.gz IZAJWUWGYQWARY-TXEJJXNPSA-N 0 0 286.339 1.513 40 70 CDIBRN Cc1cc(NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)no1 ZINC000161505905 392730840 /nfs/dbraw/zinc/73/08/40/392730840.db2.gz PVBFERFUHKONIR-VIFPVBQESA-N 0 0 260.297 1.758 40 70 CDIBRN COc1cc(N)c(CC(=O)N2CCCC2)cc1OC ZINC000217670718 359017792 /nfs/dbraw/zinc/01/77/92/359017792.db2.gz VXXXMRKZRKRYHA-UHFFFAOYSA-N 0 0 264.325 1.451 40 70 CDIBRN C[C@H](NC(=O)C=C(N)N)c1cccc(Br)c1 ZINC000217754989 327925551 /nfs/dbraw/zinc/92/55/51/327925551.db2.gz ZLTRYYWRQLEADG-ZETCQYMHSA-N 0 0 284.157 1.952 40 70 CDIBRN Cc1nc(CN2CCCc3cc(C(N)=O)ccc32)no1 ZINC000160770597 346581482 /nfs/dbraw/zinc/58/14/82/346581482.db2.gz ATUOLECILJJMIV-UHFFFAOYSA-N 0 0 272.308 1.430 40 70 CDIBRN CCOCC(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218206079 364931852 /nfs/dbraw/zinc/93/18/52/364931852.db2.gz KGNMJQHMGROQHT-UHFFFAOYSA-N 0 0 267.329 1.285 40 70 CDIBRN Cc1cc(C(=O)NCC[C@H](O)c2cccn2C)no1 ZINC000217931331 424560068 /nfs/dbraw/zinc/56/00/68/424560068.db2.gz KBDVRBOPNHVAEP-LBPRGKRZSA-N 0 0 263.297 1.175 40 70 CDIBRN O=C(NCC[C@@H](O)C1CCOCC1)NCc1ccccc1 ZINC000217928570 189713115 /nfs/dbraw/zinc/71/31/15/189713115.db2.gz VUOXNDXUHAJMHS-OAHLLOKOSA-N 0 0 292.379 1.663 40 70 CDIBRN O=C(Nc1ccccc1F)N1CC[C@@H](n2ccnn2)C1 ZINC000217689507 375704307 /nfs/dbraw/zinc/70/43/07/375704307.db2.gz SVRNKQXJAGUJMV-SNVBAGLBSA-N 0 0 275.287 1.896 40 70 CDIBRN C[C@@H]1CCc2cc(C(=O)N3CCOCC3)ccc2N1 ZINC000217516461 130761367 /nfs/dbraw/zinc/76/13/67/130761367.db2.gz XVOWBKZLHFPIBR-LLVKDONJSA-N 0 0 260.337 1.906 40 70 CDIBRN COCC(=O)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217518608 348744614 /nfs/dbraw/zinc/74/46/14/348744614.db2.gz OHCZVRRFHWULRY-UHFFFAOYSA-N 0 0 275.304 1.321 40 70 CDIBRN CCCc1nnsc1C(=O)N1CC[C@@H](n2ccnn2)C1 ZINC000217686660 189711512 /nfs/dbraw/zinc/71/15/12/189711512.db2.gz RIDXPJFDHLFJAF-SECBINFHSA-N 0 0 292.368 1.169 40 70 CDIBRN CC(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839359 189712650 /nfs/dbraw/zinc/71/26/50/189712650.db2.gz VAKKJMDZAXJHBW-LLVKDONJSA-N 0 0 287.323 1.328 40 70 CDIBRN COC(=O)c1c(C(F)(F)F)nn(C)c1C(=O)OC ZINC000217739805 375719989 /nfs/dbraw/zinc/71/99/89/375719989.db2.gz GDYVZLCHFUMMAY-UHFFFAOYSA-N 0 0 266.175 1.012 40 70 CDIBRN COc1ccc(Nc2cc(N3CCN(C)CC3)ncn2)cc1 ZINC000216847339 262341385 /nfs/dbraw/zinc/34/13/85/262341385.db2.gz IPUOHLYSFIESKX-UHFFFAOYSA-N 0 0 299.378 1.981 40 70 CDIBRN COc1ccc(NC(=O)c2cc(=O)[nH]cn2)c(OC)c1 ZINC000217792459 534167320 /nfs/dbraw/zinc/16/73/20/534167320.db2.gz VGYBSXNAUMIEPQ-UHFFFAOYSA-N 0 0 275.264 1.039 40 70 CDIBRN O=C([C@H]1COc2ccccc2O1)N1CCc2oncc2C1 ZINC000217692007 375705860 /nfs/dbraw/zinc/70/58/60/375705860.db2.gz OFBGEJVACIBQAX-CQSZACIVSA-N 0 0 286.287 1.399 40 70 CDIBRN Cc1ccc(S(=O)(=O)[C@@H]2C[C@H]2C(N)=S)cc1 ZINC000217994874 375773293 /nfs/dbraw/zinc/77/32/93/375773293.db2.gz UDBGWPCFMTXLGP-NXEZZACHSA-N 0 0 255.364 1.443 40 70 CDIBRN Cc1ncncc1-c1nnc(C2CCN(C=O)CC2)o1 ZINC000216641182 358954937 /nfs/dbraw/zinc/95/49/37/358954937.db2.gz RXDOFRYSFYLCRO-UHFFFAOYSA-N 0 0 273.296 1.171 40 70 CDIBRN CC[C@H](Nc1ccc(Cn2cncn2)cc1)C(=O)OC ZINC000159488400 360461439 /nfs/dbraw/zinc/46/14/39/360461439.db2.gz FGPHOPVKARCFEH-ZDUSSCGKSA-N 0 0 274.324 1.690 40 70 CDIBRN COC(CN1CCO[C@@H](c2ccccc2C)C1)OC ZINC000161245160 367805970 /nfs/dbraw/zinc/80/59/70/367805970.db2.gz GALMQZHJWJLNAJ-CQSZACIVSA-N 0 0 265.353 1.987 40 70 CDIBRN CC(C)(C)c1nsc(N[C@@H]2CCCN(C(N)=O)C2)n1 ZINC000159762282 188440537 /nfs/dbraw/zinc/44/05/37/188440537.db2.gz GBBLJNCYHBVRKJ-MRVPVSSYSA-N 0 0 283.401 1.791 40 70 CDIBRN Cc1csc(C(=O)NCC[C@H](O)C2CCOCC2)c1 ZINC000217913791 375761190 /nfs/dbraw/zinc/76/11/90/375761190.db2.gz GJJLVFXHRVTEOW-LBPRGKRZSA-N 0 0 283.393 1.964 40 70 CDIBRN Cc1oncc1C(=O)Nc1cnn(CC2CCOCC2)c1 ZINC000218231939 348744646 /nfs/dbraw/zinc/74/46/46/348744646.db2.gz WSNWFARPHGVJKW-UHFFFAOYSA-N 0 0 290.323 1.858 40 70 CDIBRN CC(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217839435 375746698 /nfs/dbraw/zinc/74/66/98/375746698.db2.gz VAKKJMDZAXJHBW-NSHDSACASA-N 0 0 287.323 1.328 40 70 CDIBRN O=C(NCC[C@H](O)C1CCOCC1)Nc1ccccc1 ZINC000217928077 189712466 /nfs/dbraw/zinc/71/24/66/189712466.db2.gz KQKBWRIVMKUHMK-AWEZNQCLSA-N 0 0 278.352 1.986 40 70 CDIBRN C[C@@](O)(CNS(C)(=O)=O)c1cc2ccccc2o1 ZINC000217996091 375773746 /nfs/dbraw/zinc/77/37/46/375773746.db2.gz HRNKFTSBJWTYLJ-GFCCVEGCSA-N 0 0 269.322 1.190 40 70 CDIBRN OCCOCCNc1ncc(Cl)cc1Br ZINC000159587528 362382837 /nfs/dbraw/zinc/38/28/37/362382837.db2.gz GPKSXEQZCBAJNU-UHFFFAOYSA-N 0 0 295.564 1.918 40 70 CDIBRN Cc1noc(C)c1CC(=O)NCCSC1CCOCC1 ZINC000217705552 375711743 /nfs/dbraw/zinc/71/17/43/375711743.db2.gz UZHJBQYTNPAHIG-UHFFFAOYSA-N 0 0 298.408 1.862 40 70 CDIBRN CC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)[nH]n2)CC1 ZINC000217857070 375750295 /nfs/dbraw/zinc/75/02/95/375750295.db2.gz WATSEQRHHHNFLR-UHFFFAOYSA-N 0 0 294.355 1.623 40 70 CDIBRN Cc1cc(C)nc(NCC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000218218856 189713752 /nfs/dbraw/zinc/71/37/52/189713752.db2.gz BCFLKCXIGKONEL-HZSPNIEDSA-N 0 0 286.379 1.834 40 70 CDIBRN CN(C)C(=O)Cc1c(N)n[nH]c1-c1cccs1 ZINC000217815826 375742159 /nfs/dbraw/zinc/74/21/59/375742159.db2.gz UOVSOOMQYQUEJF-UHFFFAOYSA-N 0 0 250.327 1.351 40 70 CDIBRN Cc1ncncc1-c1nnc([C@H]2CCCN(C=O)C2)o1 ZINC000216664513 189705660 /nfs/dbraw/zinc/70/56/60/189705660.db2.gz YBDMPPDULYYLKS-JTQLQIEISA-N 0 0 273.296 1.171 40 70 CDIBRN Cc1cc(NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)no1 ZINC000161505807 392730803 /nfs/dbraw/zinc/73/08/03/392730803.db2.gz PVBFERFUHKONIR-SECBINFHSA-N 0 0 260.297 1.758 40 70 CDIBRN Cc1ccc([C@H]2CN(CCOC(=O)N(C)C)CCO2)o1 ZINC000159528195 345202185 /nfs/dbraw/zinc/20/21/85/345202185.db2.gz ZJLLRZXJDGNISJ-CYBMUJFWSA-N 0 0 282.340 1.660 40 70 CDIBRN Cc1cc(C(=O)Nc2cnn(CC3CCOCC3)c2)no1 ZINC000218221467 364983796 /nfs/dbraw/zinc/98/37/96/364983796.db2.gz NDXVKALQBRKHPC-UHFFFAOYSA-N 0 0 290.323 1.858 40 70 CDIBRN Cn1cccc1[C@@H](O)CCNC(=O)COc1ccccc1 ZINC000217932888 189712721 /nfs/dbraw/zinc/71/27/21/189712721.db2.gz JJTFZWXCRDAKSO-HNNXBMFYSA-N 0 0 288.347 1.644 40 70 CDIBRN CCc1ncnc(N[C@@H](C)CN2CCOCC2)c1F ZINC000217974413 367259432 /nfs/dbraw/zinc/25/94/32/367259432.db2.gz JNKIONWTKAABBE-JTQLQIEISA-N 0 0 268.336 1.311 40 70 CDIBRN CCn1nccc1CNc1ccc2oc(=O)[nH]c2c1 ZINC000160075019 375656244 /nfs/dbraw/zinc/65/62/44/375656244.db2.gz ZONYIILYBVYJFB-UHFFFAOYSA-N 0 0 258.281 1.950 40 70 CDIBRN Cc1cc2ncc3c(n2n1)CCN(C(=O)c1cnoc1C)C3 ZINC000217711903 375714015 /nfs/dbraw/zinc/71/40/15/375714015.db2.gz OVZNYLWWCCRGDD-UHFFFAOYSA-N 0 0 297.318 1.533 40 70 CDIBRN CCS(=O)(=O)NC[C@](C)(O)c1cc2ccccc2o1 ZINC000217996317 375773685 /nfs/dbraw/zinc/77/36/85/375773685.db2.gz FNLKRAXZZGBAIW-ZDUSSCGKSA-N 0 0 283.349 1.580 40 70 CDIBRN NC(N)=CC(=O)NCc1ccc(Cl)cc1Cl ZINC000217740749 359024488 /nfs/dbraw/zinc/02/44/88/359024488.db2.gz APTZOPQPMYLVGB-UHFFFAOYSA-N 0 0 260.124 1.936 40 70 CDIBRN CCOCC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217807369 189711867 /nfs/dbraw/zinc/71/18/67/189711867.db2.gz OPYKVWVMPKHEFK-NSHDSACASA-N 0 0 293.367 1.765 40 70 CDIBRN CC(C)CC(=O)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217613456 375686603 /nfs/dbraw/zinc/68/66/03/375686603.db2.gz JQQDCIGXDFYEQR-UHFFFAOYSA-N 0 0 290.367 1.202 40 70 CDIBRN COC[C@@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217982693 375772149 /nfs/dbraw/zinc/77/21/49/375772149.db2.gz QKBQPEDSYAKSIG-JQWIXIFHSA-N 0 0 285.390 1.152 40 70 CDIBRN COC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217994284 375773506 /nfs/dbraw/zinc/77/35/06/375773506.db2.gz VKYBKTUPRKTLQH-YPMHNXCESA-N 0 0 299.417 1.460 40 70 CDIBRN Cc1ccc(N)c(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000217785913 262344356 /nfs/dbraw/zinc/34/43/56/262344356.db2.gz BUOIMWRTUAOBJQ-VXGBXAGGSA-N 0 0 262.353 1.756 40 70 CDIBRN NC(=O)c1cc(C(F)(F)F)n(-c2ccccc2)n1 ZINC000217599709 375683314 /nfs/dbraw/zinc/68/33/14/375683314.db2.gz SPPPJUBNJHASSR-UHFFFAOYSA-N 0 0 255.199 1.990 40 70 CDIBRN Cn1cccc1[C@@H](O)CCNC(=O)[C@H]1CC=CCC1 ZINC000217937850 375763960 /nfs/dbraw/zinc/76/39/60/375763960.db2.gz NXIKQKVWWDJEAH-JSGCOSHPSA-N 0 0 262.353 1.921 40 70 CDIBRN Cc1cc(O[C@@H]2CCN(C(=O)c3ccco3)C2)cc(=O)o1 ZINC000217769997 391920255 /nfs/dbraw/zinc/92/02/55/391920255.db2.gz ZLHNOKPRKQQUNZ-LLVKDONJSA-N 0 0 289.287 1.835 40 70 CDIBRN Nc1n[nH]c(-c2ccccc2)c1CC(=O)N1CCOCC1 ZINC000217815557 130763846 /nfs/dbraw/zinc/76/38/46/130763846.db2.gz UYBDJZSXAJQWQF-UHFFFAOYSA-N 0 0 286.335 1.060 40 70 CDIBRN O=C(Nc1cnn(CC2CCOCC2)c1)[C@H]1CCOC1 ZINC000218233455 348744605 /nfs/dbraw/zinc/74/46/05/348744605.db2.gz SFEYAXWVTWWEHF-LBPRGKRZSA-N 0 0 279.340 1.285 40 70 CDIBRN NC(N)=CC(=O)Nc1ccc(Br)cc1 ZINC000217744426 359024078 /nfs/dbraw/zinc/02/40/78/359024078.db2.gz PNCVSSNGVSQARE-UHFFFAOYSA-N 0 0 256.103 1.714 40 70 CDIBRN O=S(=O)(c1ccccc1F)N1CCc2oncc2C1 ZINC000217694090 375706297 /nfs/dbraw/zinc/70/62/97/375706297.db2.gz GQGIQFPQQXYTSW-UHFFFAOYSA-N 0 0 282.296 1.561 40 70 CDIBRN COC[C@@]1(C(N)=S)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217982841 130764704 /nfs/dbraw/zinc/76/47/04/130764704.db2.gz QKBQPEDSYAKSIG-PWSUYJOCSA-N 0 0 285.390 1.152 40 70 CDIBRN CC(=O)N1CCC[C@H](c2nnc(-c3cnc(C)nc3)o2)C1 ZINC000216658046 358956062 /nfs/dbraw/zinc/95/60/62/358956062.db2.gz XHPBINPGLWADDK-NSHDSACASA-N 0 0 287.323 1.561 40 70 CDIBRN NC(N)=CC(=O)Nc1ccc(Br)cc1F ZINC000217746100 359024620 /nfs/dbraw/zinc/02/46/20/359024620.db2.gz ODIFRMBILJYFNS-UHFFFAOYSA-N 0 0 274.093 1.853 40 70 CDIBRN Cn1cccc1[C@H](O)CCNC(=O)[C@H]1CC=CCC1 ZINC000217937778 375764601 /nfs/dbraw/zinc/76/46/01/375764601.db2.gz NXIKQKVWWDJEAH-GXTWGEPZSA-N 0 0 262.353 1.921 40 70 CDIBRN COC[C@]1(C(N)=S)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217994055 375772896 /nfs/dbraw/zinc/77/28/96/375772896.db2.gz VKYBKTUPRKTLQH-WCQYABFASA-N 0 0 299.417 1.460 40 70 CDIBRN