smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccc(CNCc2cc(Br)cs2)cc1Cl ZINC000053149315 214166756 /nfs/dbraw/zinc/16/67/56/214166756.db2.gz KBHOAQTXTPVRGO-UHFFFAOYSA-N 0 1 334.641 4.593 20 0 EJADMN COc1ccccc1CNCc1ccc(OCc2cccc(C)c2)cc1 ZINC000040722660 213375724 /nfs/dbraw/zinc/37/57/24/213375724.db2.gz UDWWOCGKRJFAOQ-UHFFFAOYSA-N 0 1 347.458 4.872 20 0 EJADMN Fc1ccc(CNCc2ccccc2Cl)cc1Br ZINC000019908355 202025148 /nfs/dbraw/zinc/02/51/48/202025148.db2.gz SOHZQPFADWZTFS-UHFFFAOYSA-N 0 1 328.612 4.531 20 0 EJADMN C[C@@H]1C[C@@H]1c1ccc(CNCc2ccc(Br)s2)o1 ZINC000037985164 213182989 /nfs/dbraw/zinc/18/29/89/213182989.db2.gz SGJPWLWZEOHONY-SKDRFNHKSA-N 0 1 326.259 4.517 20 0 EJADMN COc1ccc(CN[C@H](C)c2ccc(Cl)cc2Cl)cc1F ZINC000037329290 213140780 /nfs/dbraw/zinc/14/07/80/213140780.db2.gz ZJVMRRSWOLHLCM-SNVBAGLBSA-N 0 1 328.214 4.992 20 0 EJADMN C[C@@H](NCc1ccc(Br)s1)c1ccc(F)cc1F ZINC000035010831 213004154 /nfs/dbraw/zinc/00/41/54/213004154.db2.gz LBLNIFAMLBIBNT-MRVPVSSYSA-N 0 1 332.213 4.640 20 0 EJADMN C[C@H](NCc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000035010099 213003137 /nfs/dbraw/zinc/00/31/37/213003137.db2.gz LHVHJLGGJDXWAT-QMMMGPOBSA-N 0 1 332.213 4.640 20 0 EJADMN CCc1ccc(CNCc2cc(F)ccc2Br)s1 ZINC000038039404 213195795 /nfs/dbraw/zinc/19/57/95/213195795.db2.gz STQKHQGUFWAGIS-UHFFFAOYSA-N 0 1 328.250 4.502 20 0 EJADMN Fc1ccc(CN2CCC[C@@H]3CCCC[C@@H]32)cc1Br ZINC000103980844 204092323 /nfs/dbraw/zinc/09/23/23/204092323.db2.gz LFCUNFQZMFQYMR-BBRMVZONSA-N 0 1 326.253 4.743 20 0 EJADMN C[C@@H](NCc1cc(F)c(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000067946148 525514088 /nfs/dbraw/zinc/51/40/88/525514088.db2.gz ULBGCAVYWQFSJD-SECBINFHSA-N 0 1 331.284 4.556 20 0 EJADMN CCC1(CC)CCN(Cc2ccc(F)c(Br)c2)CC1 ZINC000103984137 219336274 /nfs/dbraw/zinc/33/62/74/219336274.db2.gz GMDPZEHJNAWFBK-UHFFFAOYSA-N 0 1 328.269 4.990 20 0 EJADMN COc1cccc([C@H](C)N[C@@H](C)c2ccccc2Br)c1 ZINC000037507897 213151975 /nfs/dbraw/zinc/15/19/75/213151975.db2.gz QKWSWYVTWIOJMW-STQMWFEESA-N 0 1 334.257 4.870 20 0 EJADMN COc1ccc([C@@H](C)NCc2ccc(Br)s2)cc1F ZINC000035016839 213005794 /nfs/dbraw/zinc/00/57/94/213005794.db2.gz IGZNIHSEOMRMOL-SECBINFHSA-N 0 1 344.249 4.509 20 0 EJADMN C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(Br)s2)o1 ZINC000037985166 202382047 /nfs/dbraw/zinc/38/20/47/202382047.db2.gz SGJPWLWZEOHONY-BXKDBHETSA-N 0 1 326.259 4.517 20 0 EJADMN CC[C@H](NCc1cc(F)ccc1Br)c1cccs1 ZINC000038039042 202389439 /nfs/dbraw/zinc/38/94/39/202389439.db2.gz IAZSAMKRSNEHOO-ZDUSSCGKSA-N 0 1 328.250 4.891 20 0 EJADMN CC[C@H](NCc1ccc(F)cc1Br)c1cccs1 ZINC000049530759 214015422 /nfs/dbraw/zinc/01/54/22/214015422.db2.gz CJCLBGHBTHVFTB-ZDUSSCGKSA-N 0 1 328.250 4.891 20 0 EJADMN COc1cccc([C@@H](C)NCc2ccc(CSC(F)F)o2)c1 ZINC000298709191 524091188 /nfs/dbraw/zinc/09/11/88/524091188.db2.gz UHXLLNQBQHUXPY-LLVKDONJSA-N 0 1 327.396 4.595 20 0 EJADMN COc1ccc([C@@H](C)NCc2ccc(CSC(F)F)o2)cc1 ZINC000299452752 525156099 /nfs/dbraw/zinc/15/60/99/525156099.db2.gz ZTYUNKHMLOODGS-LLVKDONJSA-N 0 1 327.396 4.595 20 0 EJADMN COc1ccc([C@H](C)NCc2ccc(CSC(F)F)o2)cc1 ZINC000299452753 525322828 /nfs/dbraw/zinc/32/28/28/525322828.db2.gz ZTYUNKHMLOODGS-NSHDSACASA-N 0 1 327.396 4.595 20 0 EJADMN COc1cccc([C@H](C)N[C@@H](C)c2sccc2Br)c1 ZINC000037771501 202034960 /nfs/dbraw/zinc/03/49/60/202034960.db2.gz GEHDHEJUUKBIIT-QWRGUYRKSA-N 0 1 340.286 4.931 20 0 EJADMN COc1ccccc1[C@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000038001854 213186279 /nfs/dbraw/zinc/18/62/79/213186279.db2.gz VLJUGJZTZJLCGY-QWRGUYRKSA-N 0 1 340.286 4.931 20 0 EJADMN COc1ccc(F)cc1[C@@H](C)NCc1cc(Br)cs1 ZINC000037090026 213132802 /nfs/dbraw/zinc/13/28/02/213132802.db2.gz MNNIFKLAJJOPIP-SECBINFHSA-N 0 1 344.249 4.509 20 0 EJADMN Cc1ccc([C@@H](C)NCc2cc(F)ccc2Br)s1 ZINC000038038909 213195367 /nfs/dbraw/zinc/19/53/67/213195367.db2.gz QJYXRHDCYFTJLI-SNVBAGLBSA-N 0 1 328.250 4.809 20 0 EJADMN Cc1ccc(-c2n[nH]c(SCc3ccc(F)cc3Cl)n2)cc1 ZINC000021674937 212239379 /nfs/dbraw/zinc/23/93/79/212239379.db2.gz IJJRHCKYFWFHLI-UHFFFAOYSA-N 0 1 333.819 4.865 20 0 EJADMN C[C@@H](N[C@@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235398 525647542 /nfs/dbraw/zinc/64/75/42/525647542.db2.gz QTULPWHTDHXJTH-ZWNOBZJWSA-N 0 1 338.270 4.685 20 0 EJADMN Fc1cccc(Cl)c1CN1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000004315275 210167412 /nfs/dbraw/zinc/16/74/12/210167412.db2.gz DZQSYQUTGDQOKP-UHFFFAOYSA-N 0 1 343.833 4.735 20 0 EJADMN C[C@@H](NCc1cc(F)ccc1Br)c1ccc2c(c1)CCC2 ZINC000038039050 213195325 /nfs/dbraw/zinc/19/53/25/213195325.db2.gz BVFRYOGGWZTSKV-GFCCVEGCSA-N 0 1 348.259 4.928 20 0 EJADMN C[C@@H](NCc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000038012610 213188703 /nfs/dbraw/zinc/18/87/03/213188703.db2.gz WKYOSNANZCIAIS-CYBMUJFWSA-N 0 1 341.252 4.848 20 0 EJADMN C[C@H](NCc1cc(Br)cs1)c1ccc(F)c(F)c1 ZINC000035010084 213003072 /nfs/dbraw/zinc/00/30/72/213003072.db2.gz WDJQSKAACGPTNN-QMMMGPOBSA-N 0 1 332.213 4.640 20 0 EJADMN COc1cccc([C@@H](C)N[C@H](C)c2sccc2Br)c1 ZINC000037771504 213166088 /nfs/dbraw/zinc/16/60/88/213166088.db2.gz GEHDHEJUUKBIIT-GHMZBOCLSA-N 0 1 340.286 4.931 20 0 EJADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002153 201082061 /nfs/dbraw/zinc/08/20/61/201082061.db2.gz NOQUUICXGXALBV-MWLCHTKSSA-N 0 1 326.259 4.832 20 0 EJADMN C[C@@H](c1ccccc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000090549209 201371600 /nfs/dbraw/zinc/37/16/00/201371600.db2.gz YWMUEQLXCPKKRF-KBXCAEBGSA-N 0 1 346.268 4.584 20 0 EJADMN FC(F)(F)c1cccc(CNCc2ccccc2Br)c1 ZINC000019906759 212082056 /nfs/dbraw/zinc/08/20/56/212082056.db2.gz IFHZTBYWBDYYAK-UHFFFAOYSA-N 0 1 344.174 4.758 20 0 EJADMN C[C@H](N[C@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235400 525626820 /nfs/dbraw/zinc/62/68/20/525626820.db2.gz QTULPWHTDHXJTH-GWCFXTLKSA-N 0 1 338.270 4.685 20 0 EJADMN Cc1ccc([C@H](C)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)o1 ZINC000067666907 525927377 /nfs/dbraw/zinc/92/73/77/525927377.db2.gz DDLZOKZIPDYFOC-ZDUSSCGKSA-N 0 1 349.356 4.643 20 0 EJADMN COc1ccccc1CNCc1ccc(OCc2ccccc2)cc1 ZINC000013720245 564020638 /nfs/dbraw/zinc/02/06/38/564020638.db2.gz WQZPLBYDGHNVJO-UHFFFAOYSA-N 0 1 333.431 4.564 20 0 EJADMN COc1cccc([C@H](C)N[C@H](C)c2sccc2Br)c1 ZINC000037771503 202035246 /nfs/dbraw/zinc/03/52/46/202035246.db2.gz GEHDHEJUUKBIIT-WDEREUQCSA-N 0 1 340.286 4.931 20 0 EJADMN COc1ccc([C@@H](C)NCc2ccc(Br)s2)c(F)c1 ZINC000038018363 213189927 /nfs/dbraw/zinc/18/99/27/213189927.db2.gz IDAUFMXRZNHINB-SECBINFHSA-N 0 1 344.249 4.509 20 0 EJADMN C[C@H](NCc1ccc2ccccc2n1)c1cccc(Br)c1 ZINC000038012609 213188492 /nfs/dbraw/zinc/18/84/92/213188492.db2.gz WKYOSNANZCIAIS-ZDUSSCGKSA-N 0 1 341.252 4.848 20 0 EJADMN CC(C)Oc1ccccc1CNCc1ccc(Br)s1 ZINC000037985139 213183074 /nfs/dbraw/zinc/18/30/74/213183074.db2.gz BZAAHDSRDHYUPB-UHFFFAOYSA-N 0 1 340.286 4.588 20 0 EJADMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(Br)s1 ZINC000035015256 213004817 /nfs/dbraw/zinc/00/48/17/213004817.db2.gz AONKICKCBWECNP-LLVKDONJSA-N 0 1 340.286 4.678 20 0 EJADMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(Br)s2)o1 ZINC000037985167 202382918 /nfs/dbraw/zinc/38/29/18/202382918.db2.gz SGJPWLWZEOHONY-JOYOIKCWSA-N 0 1 326.259 4.517 20 0 EJADMN COc1cccc([C@H](C)N[C@H](C)c2ccccc2Br)c1 ZINC000037507899 202003494 /nfs/dbraw/zinc/00/34/94/202003494.db2.gz QKWSWYVTWIOJMW-QWHCGFSZSA-N 0 1 334.257 4.870 20 0 EJADMN C[C@H](N[C@@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002152 201082953 /nfs/dbraw/zinc/08/29/53/201082953.db2.gz NOQUUICXGXALBV-GXSJLCMTSA-N 0 1 326.259 4.832 20 0 EJADMN CCCOc1ccc(Br)cc1CNCc1ccc(C)cc1 ZINC000020929400 212190066 /nfs/dbraw/zinc/19/00/66/212190066.db2.gz VAAHRFJNGWYOEB-UHFFFAOYSA-N 0 1 348.284 4.836 20 0 EJADMN Fc1ccccc1-c1n[nH]c(SCc2c(F)cccc2Cl)n1 ZINC000004879564 210310697 /nfs/dbraw/zinc/31/06/97/210310697.db2.gz MXYYWWMJJRCPCU-UHFFFAOYSA-N 0 1 337.782 4.696 20 0 EJADMN Cc1ccccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1C(C)C ZINC000097476108 219028103 /nfs/dbraw/zinc/02/81/03/219028103.db2.gz QDMWKYHBKORJII-NRFANRHFSA-N 0 1 336.479 4.894 20 0 EJADMN Cc1nc(C)c([C@H](C)NCc2cc(Br)ccc2F)s1 ZINC000040445875 526753680 /nfs/dbraw/zinc/75/36/80/526753680.db2.gz URJHVZOMCKLDMY-QMMMGPOBSA-N 0 1 343.265 4.512 20 0 EJADMN COc1ccccc1CNCc1c(OC(C)C)ccc2ccccc21 ZINC000040729711 213377664 /nfs/dbraw/zinc/37/76/64/213377664.db2.gz HNUTYUBHPWFUSA-UHFFFAOYSA-N 0 1 335.447 4.925 20 0 EJADMN COc1ccc(OC)c([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000097393682 219022046 /nfs/dbraw/zinc/02/20/46/219022046.db2.gz XBIIXGYVHLEZQO-RYUDHWBXSA-N 0 1 337.822 4.908 20 0 EJADMN Cc1ccccc1[C@H]1CCCN1CC(=O)Nc1ccccc1C(C)C ZINC000097476109 219028751 /nfs/dbraw/zinc/02/87/51/219028751.db2.gz QDMWKYHBKORJII-OAQYLSRUSA-N 0 1 336.479 4.894 20 0 EJADMN COc1cccc([C@H](C)NCc2ccc(CSC(F)F)o2)c1 ZINC000298709193 524153304 /nfs/dbraw/zinc/15/33/04/524153304.db2.gz UHXLLNQBQHUXPY-NSHDSACASA-N 0 1 327.396 4.595 20 0 EJADMN C[C@H](N[C@@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235396 525578190 /nfs/dbraw/zinc/57/81/90/525578190.db2.gz QTULPWHTDHXJTH-GXFFZTMASA-N 0 1 338.270 4.685 20 0 EJADMN C[C@@H](N[C@H]1CCOc2ccc(Br)cc21)c1cccs1 ZINC000037235402 525687937 /nfs/dbraw/zinc/68/79/37/525687937.db2.gz QTULPWHTDHXJTH-MFKMUULPSA-N 0 1 338.270 4.685 20 0 EJADMN COc1ccccc1CNCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000013720712 563716441 /nfs/dbraw/zinc/71/64/41/563716441.db2.gz SHGZYACJNYIEOQ-UHFFFAOYSA-N 0 1 347.458 4.872 20 0 EJADMN C[C@@H]1C[C@@H](C)CN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000066411091 215039435 /nfs/dbraw/zinc/03/94/35/215039435.db2.gz MMQNGFYBCXZTIX-GHMZBOCLSA-N 0 1 340.254 4.521 20 0 EJADMN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc2cn[nH]c21 ZINC000025594617 202134413 /nfs/dbraw/zinc/13/44/13/202134413.db2.gz LTKZCFSZFHLNQA-UHFFFAOYSA-N 0 1 329.359 4.608 20 0 EJADMN Brc1ccc(CN[C@@H]2CSCc3ccccc32)s1 ZINC000038018321 213190692 /nfs/dbraw/zinc/19/06/92/213190692.db2.gz OMTQBERYPQAQRR-CYBMUJFWSA-N 0 1 340.311 4.588 20 0 EJADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccc(Br)s1 ZINC000038003239 202385746 /nfs/dbraw/zinc/38/57/46/202385746.db2.gz SBHMNUPTWKLVFJ-VHSXEESVSA-N 0 1 326.259 4.628 20 0 EJADMN COc1ccc(OC)c([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)c1 ZINC000097393685 219022182 /nfs/dbraw/zinc/02/21/82/219022182.db2.gz XBIIXGYVHLEZQO-VXGBXAGGSA-N 0 1 337.822 4.908 20 0 EJADMN COc1ccc(C)cc1[C@H](C)NCc1ccc(Br)s1 ZINC000035015257 213005311 /nfs/dbraw/zinc/00/53/11/213005311.db2.gz AONKICKCBWECNP-NSHDSACASA-N 0 1 340.286 4.678 20 0 EJADMN Cc1ccc([C@H](C)NCc2cc(F)ccc2Br)s1 ZINC000038038910 213196210 /nfs/dbraw/zinc/19/62/10/213196210.db2.gz QJYXRHDCYFTJLI-JTQLQIEISA-N 0 1 328.250 4.809 20 0 EJADMN COc1cc(CNC(c2ccccc2)c2ccccc2)cc(OC)c1 ZINC000022772520 212323161 /nfs/dbraw/zinc/32/31/61/212323161.db2.gz HKSMXSANSLDYAY-UHFFFAOYSA-N 0 1 333.431 4.583 20 0 EJADMN Fc1cccc(Cl)c1COc1ccc(CNCc2ccco2)cc1 ZINC000040722898 213376524 /nfs/dbraw/zinc/37/65/24/213376524.db2.gz IMMVDZWVRYZMQP-UHFFFAOYSA-N 0 1 345.801 4.941 20 0 EJADMN COc1ccc([C@H](C)NCc2ccc(Br)s2)c(F)c1 ZINC000038018362 213190399 /nfs/dbraw/zinc/19/03/99/213190399.db2.gz IDAUFMXRZNHINB-VIFPVBQESA-N 0 1 344.249 4.509 20 0 EJADMN C[C@@H](N[C@@H](C)c1ccc(Br)s1)c1cccc(O)c1 ZINC000038003238 213187706 /nfs/dbraw/zinc/18/77/06/213187706.db2.gz SBHMNUPTWKLVFJ-ZJUUUORDSA-N 0 1 326.259 4.628 20 0 EJADMN C[C@H](N[C@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002154 213187042 /nfs/dbraw/zinc/18/70/42/213187042.db2.gz NOQUUICXGXALBV-ONGXEEELSA-N 0 1 326.259 4.832 20 0 EJADMN COc1cccc([C@@H](C)N[C@H](C)c2ccccc2Br)c1 ZINC000037507900 213152004 /nfs/dbraw/zinc/15/20/04/213152004.db2.gz QKWSWYVTWIOJMW-CHWSQXEVSA-N 0 1 334.257 4.870 20 0 EJADMN C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(Br)s1 ZINC000038003237 213187722 /nfs/dbraw/zinc/18/77/22/213187722.db2.gz SBHMNUPTWKLVFJ-UWVGGRQHSA-N 0 1 326.259 4.628 20 0 EJADMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(Br)s1 ZINC000038001856 202081520 /nfs/dbraw/zinc/08/15/20/202081520.db2.gz VLJUGJZTZJLCGY-WDEREUQCSA-N 0 1 340.286 4.931 20 0 EJADMN Brc1ccc(CN[C@H]2CSCc3ccccc32)s1 ZINC000038018320 213190172 /nfs/dbraw/zinc/19/01/72/213190172.db2.gz OMTQBERYPQAQRR-ZDUSSCGKSA-N 0 1 340.311 4.588 20 0 EJADMN COc1ccccc1[C@@H](C)N[C@@H](C)c1ccc(Br)s1 ZINC000038001855 213186192 /nfs/dbraw/zinc/18/61/92/213186192.db2.gz VLJUGJZTZJLCGY-MNOVXSKESA-N 0 1 340.286 4.931 20 0 EJADMN COc1cccc([C@@H](C)N[C@@H](C)c2ccccc2Br)c1 ZINC000037507898 213151619 /nfs/dbraw/zinc/15/16/19/213151619.db2.gz QKWSWYVTWIOJMW-OLZOCXBDSA-N 0 1 334.257 4.870 20 0 EJADMN C[C@@H](NCc1ccc(Br)s1)c1ccc(F)c(F)c1 ZINC000035010101 213003962 /nfs/dbraw/zinc/00/39/62/213003962.db2.gz LHVHJLGGJDXWAT-MRVPVSSYSA-N 0 1 332.213 4.640 20 0 EJADMN COc1cccc([C@@H](C)N[C@@H](C)c2sccc2Br)c1 ZINC000037771502 213165685 /nfs/dbraw/zinc/16/56/85/213165685.db2.gz GEHDHEJUUKBIIT-MNOVXSKESA-N 0 1 340.286 4.931 20 0 EJADMN CCCOc1ccc(Br)cc1CNCc1ccccc1 ZINC000020929111 212187981 /nfs/dbraw/zinc/18/79/81/212187981.db2.gz FZRPDBWCGVSBQY-UHFFFAOYSA-N 0 1 334.257 4.528 20 0 EJADMN Fc1ccc(CSc2nc(-c3ccccc3F)n[nH]2)c(Cl)c1 ZINC000009836953 211127559 /nfs/dbraw/zinc/12/75/59/211127559.db2.gz CRWJFPLAEPFUMC-UHFFFAOYSA-N 0 1 337.782 4.696 20 0 EJADMN CC[C@@H](NCc1cc(F)ccc1Br)c1cccs1 ZINC000038039043 213195934 /nfs/dbraw/zinc/19/59/34/213195934.db2.gz IAZSAMKRSNEHOO-CYBMUJFWSA-N 0 1 328.250 4.891 20 0 EJADMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)c(Br)c2)o1 ZINC000037280751 213137620 /nfs/dbraw/zinc/13/76/20/213137620.db2.gz IIWHVCDPROGKCZ-GHMZBOCLSA-N 0 1 326.209 4.901 20 0 EJADMN Cc1cc(C(F)(F)F)ccc1CNCc1ccc2c(n1)CCCC2 ZINC000444012511 370692313 /nfs/dbraw/zinc/69/23/13/370692313.db2.gz SNUPFPPTWSSXIC-UHFFFAOYSA-N 0 1 334.385 4.577 20 0 EJADMN Fc1ccc(CNCc2csc(Br)c2)cc1Cl ZINC000053149214 214165865 /nfs/dbraw/zinc/16/58/65/214165865.db2.gz DEJJOYDBCSGZCW-UHFFFAOYSA-N 0 1 334.641 4.593 20 0 EJADMN Fc1ccc(Br)c(CN[C@@H]2CCCc3sccc32)c1 ZINC000061328587 214659936 /nfs/dbraw/zinc/65/99/36/214659936.db2.gz WSSSPUNMWWFPEU-CQSZACIVSA-N 0 1 340.261 4.817 20 0 EJADMN C[C@@H]1C[C@H](C)CN(Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000066411090 215039429 /nfs/dbraw/zinc/03/94/29/215039429.db2.gz MMQNGFYBCXZTIX-PHIMTYICSA-N 0 1 340.254 4.521 20 0 EJADMN Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(C)c1 ZINC000040478249 213314486 /nfs/dbraw/zinc/31/44/86/213314486.db2.gz NMDHJAQOJWILCQ-UHFFFAOYSA-N 0 1 339.826 4.908 20 0 EJADMN C[C@H](NCc1cccc(F)c1F)c1cccc(Br)c1 ZINC000038012453 213188632 /nfs/dbraw/zinc/18/86/32/213188632.db2.gz GWLFXLJDIXXNCA-JTQLQIEISA-N 0 1 326.184 4.578 20 0 EJADMN COc1ccc(Br)cc1CN[C@@H](C)c1ccc(C)cc1 ZINC000037770771 213165880 /nfs/dbraw/zinc/16/58/80/213165880.db2.gz FYZZFACNUCDSNC-ZDUSSCGKSA-N 0 1 334.257 4.617 20 0 EJADMN C[C@H](NCc1ccc(Br)s1)c1ccc(F)cc1F ZINC000035010830 213004454 /nfs/dbraw/zinc/00/44/54/213004454.db2.gz LBLNIFAMLBIBNT-QMMMGPOBSA-N 0 1 332.213 4.640 20 0 EJADMN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c(Br)c2)o1 ZINC000037280748 213138205 /nfs/dbraw/zinc/13/82/05/213138205.db2.gz IIWHVCDPROGKCZ-WDEREUQCSA-N 0 1 326.209 4.901 20 0 EJADMN C[C@H](NCc1cc(F)c(F)c(F)c1)c1cccc(OC(F)F)c1 ZINC000067946147 525431140 /nfs/dbraw/zinc/43/11/40/525431140.db2.gz ULBGCAVYWQFSJD-VIFPVBQESA-N 0 1 331.284 4.556 20 0 EJADMN COc1ccc2c(c1)nccc2Nc1cc(NC(C)=O)ccc1Cl ZINC000054202383 214223400 /nfs/dbraw/zinc/22/34/00/214223400.db2.gz JFKGWDLLNXPDSU-UHFFFAOYSA-N 0 1 341.798 4.599 20 0 EJADMN C[C@H](NCc1ccc(F)c(F)c1)c1ccc(Br)s1 ZINC000049577562 214019858 /nfs/dbraw/zinc/01/98/58/214019858.db2.gz IAEGGBVBHRDQJL-QMMMGPOBSA-N 0 1 332.213 4.640 20 0 EJADMN CC(C)c1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000069110881 215360353 /nfs/dbraw/zinc/36/03/53/215360353.db2.gz BQPKIVPFSVADLX-UHFFFAOYSA-N 0 1 343.370 4.630 20 0 EJADMN C[C@@H](NCc1cccc(F)c1F)c1cccc(Br)c1 ZINC000038012454 202084166 /nfs/dbraw/zinc/08/41/66/202084166.db2.gz GWLFXLJDIXXNCA-SNVBAGLBSA-N 0 1 326.184 4.578 20 0 EJADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccc(Br)s1 ZINC000038001857 213186406 /nfs/dbraw/zinc/18/64/06/213186406.db2.gz VLJUGJZTZJLCGY-GHMZBOCLSA-N 0 1 340.286 4.931 20 0 EJADMN C[C@H]1C[C@@H]1c1ccc(CNCc2ccc(Br)s2)o1 ZINC000037985165 213184036 /nfs/dbraw/zinc/18/40/36/213184036.db2.gz SGJPWLWZEOHONY-CABZTGNLSA-N 0 1 326.259 4.517 20 0 EJADMN C[C@@H](NCc1cc(Br)cs1)c1ccc(F)c(F)c1 ZINC000035010086 213003819 /nfs/dbraw/zinc/00/38/19/213003819.db2.gz WDJQSKAACGPTNN-MRVPVSSYSA-N 0 1 332.213 4.640 20 0 EJADMN Fc1ccc(CNCc2ccc(Br)s2)c(Cl)c1 ZINC000038018667 202386966 /nfs/dbraw/zinc/38/69/66/202386966.db2.gz HSTKHMOMNLHWMF-UHFFFAOYSA-N 0 1 334.641 4.593 20 0 EJADMN COc1ccc(F)cc1[C@H](C)NCc1cc(Br)cs1 ZINC000037090025 213132943 /nfs/dbraw/zinc/13/29/43/213132943.db2.gz MNNIFKLAJJOPIP-VIFPVBQESA-N 0 1 344.249 4.509 20 0 EJADMN CCCOc1ccc(Br)cc1CNCc1cccs1 ZINC000020929233 212190339 /nfs/dbraw/zinc/19/03/39/212190339.db2.gz DLPOVEOOYZNGKR-UHFFFAOYSA-N 0 1 340.286 4.589 20 0 EJADMN COc1ccc([C@H]2CCCN2Cc2ccccc2Cl)cc1OC ZINC000071854583 203128998 /nfs/dbraw/zinc/12/89/98/203128998.db2.gz LDTZKOACKDDCPU-QGZVFWFLSA-N 0 1 331.843 4.694 20 0 EJADMN Cc1ccc([C@@H](C)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)o1 ZINC000067666906 525734797 /nfs/dbraw/zinc/73/47/97/525734797.db2.gz DDLZOKZIPDYFOC-CYBMUJFWSA-N 0 1 349.356 4.643 20 0 EJADMN COc1ccccc1CNCc1cccc(OCc2ccccc2)c1 ZINC000013720359 564020643 /nfs/dbraw/zinc/02/06/43/564020643.db2.gz LDROPVNBCQBKRA-UHFFFAOYSA-N 0 1 333.431 4.564 20 0 EJADMN CC[C@H](NCc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000038038997 213195178 /nfs/dbraw/zinc/19/51/78/213195178.db2.gz WKUCMKCSSXXEML-INIZCTEOSA-N 0 1 340.211 4.968 20 0 EJADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)c(Br)c2)o1 ZINC000037280749 213138262 /nfs/dbraw/zinc/13/82/62/213138262.db2.gz IIWHVCDPROGKCZ-QWRGUYRKSA-N 0 1 326.209 4.901 20 0 EJADMN C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(Br)s1 ZINC000038003240 213187811 /nfs/dbraw/zinc/18/78/11/213187811.db2.gz SBHMNUPTWKLVFJ-NXEZZACHSA-N 0 1 326.259 4.628 20 0 EJADMN CCCOc1ccc(CNCc2ccccc2Cl)cc1OCC ZINC000020933219 212189966 /nfs/dbraw/zinc/18/99/66/212189966.db2.gz HTKJENJCTUAERH-UHFFFAOYSA-N 0 1 333.859 4.817 20 0 EJADMN C[C@H](NCc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000298685058 525479282 /nfs/dbraw/zinc/47/92/82/525479282.db2.gz HCAJJOKHLKRNGZ-LBPRGKRZSA-N 0 1 325.378 4.508 20 0 EJADMN C[C@@H](NCc1cnn(C(C)(C)C)c1)c1cccc(C(F)(F)F)c1 ZINC000298685054 525553229 /nfs/dbraw/zinc/55/32/29/525553229.db2.gz HCAJJOKHLKRNGZ-GFCCVEGCSA-N 0 1 325.378 4.508 20 0 EJADMN Cc1nc(C)c([C@@H](C)NCc2cc(Br)ccc2F)s1 ZINC000040445874 526746068 /nfs/dbraw/zinc/74/60/68/526746068.db2.gz URJHVZOMCKLDMY-MRVPVSSYSA-N 0 1 343.265 4.512 20 0 EJADMN CC[C@@H](NCc1cc(F)ccc1Br)c1ccc(F)cc1 ZINC000038038998 213195925 /nfs/dbraw/zinc/19/59/25/213195925.db2.gz WKUCMKCSSXXEML-MRXNPFEDSA-N 0 1 340.211 4.968 20 0 EJADMN COc1ccc(Br)cc1CN[C@H](C)c1ccc(C)cc1 ZINC000037770770 213165492 /nfs/dbraw/zinc/16/54/92/213165492.db2.gz FYZZFACNUCDSNC-CYBMUJFWSA-N 0 1 334.257 4.617 20 0 EJADMN COc1ccc(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc1F ZINC000037329288 213140254 /nfs/dbraw/zinc/14/02/54/213140254.db2.gz ZJVMRRSWOLHLCM-JTQLQIEISA-N 0 1 328.214 4.992 20 0 EJADMN C[C@@H](N[C@H]1CCCc2occc21)c1ccc(Br)s1 ZINC000038002155 213187140 /nfs/dbraw/zinc/18/71/40/213187140.db2.gz NOQUUICXGXALBV-KOLCDFICSA-N 0 1 326.259 4.832 20 0 EJADMN c1csc(CNCc2cc3ccccc3nc2N2CCCCC2)c1 ZINC000067718619 526581156 /nfs/dbraw/zinc/58/11/56/526581156.db2.gz ZAKJTNQAHRWLFO-UHFFFAOYSA-N 0 1 337.492 4.576 20 0 EJADMN CC(C)(c1ccnc(Cl)c1)N1CCC2(CC(OCC3CC3)C2)CC1 ZINC001164986244 722173081 /nfs/dbraw/zinc/17/30/81/722173081.db2.gz JIQWWSDGEKCZEM-UHFFFAOYSA-N 0 1 348.918 4.641 20 0 EJADMN