smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nccc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1Cl ZINC000159898814 539518720 /nfs/dbraw/zinc/51/87/20/539518720.db2.gz XLUAVIDXFHWVCH-UHFFFAOYSA-N 1 2 348.838 2.127 10 70 EEIELO COc1ccc(CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000160597592 463354202 /nfs/dbraw/zinc/35/42/02/463354202.db2.gz OGKHILYPCNYNMF-OAHLLOKOSA-N 1 2 343.427 2.212 10 70 EEIELO C[C@]1(CNc2nc3[nH]ncc3c(=O)[nH]2)CCC[N@@H+]1Cc1ccccc1 ZINC000160798307 463371382 /nfs/dbraw/zinc/37/13/82/463371382.db2.gz YQZHWTXDCKXMOM-GOSISDBHSA-N 1 2 338.415 2.113 10 70 EEIELO C[C@]1(CNc2nc3[nH]ncc3c(=O)[nH]2)CCC[N@H+]1Cc1ccccc1 ZINC000160798307 463371383 /nfs/dbraw/zinc/37/13/83/463371383.db2.gz YQZHWTXDCKXMOM-GOSISDBHSA-N 1 2 338.415 2.113 10 70 EEIELO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000161148209 463404940 /nfs/dbraw/zinc/40/49/40/463404940.db2.gz BTDRZAFVSZJOHD-QXSJWSMHSA-N 1 2 330.432 2.015 10 70 EEIELO Cc1cc(C[C@H](C)NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1 ZINC000161161294 311362812 /nfs/dbraw/zinc/36/28/12/311362812.db2.gz QLXHUDQPPZQNPW-DZGCQCFKSA-N 1 2 326.444 2.212 10 70 EEIELO Cc1cc(C[C@H](C)NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000161161294 311362813 /nfs/dbraw/zinc/36/28/13/311362813.db2.gz QLXHUDQPPZQNPW-DZGCQCFKSA-N 1 2 326.444 2.212 10 70 EEIELO Cc1nc(C[C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)no1 ZINC000161046610 463393960 /nfs/dbraw/zinc/39/39/60/463393960.db2.gz WCGQCZQFWHWZGP-HNNXBMFYSA-N 1 2 349.456 2.106 10 70 EEIELO Cc1nc(C[C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)no1 ZINC000161046610 463393964 /nfs/dbraw/zinc/39/39/64/463393964.db2.gz WCGQCZQFWHWZGP-HNNXBMFYSA-N 1 2 349.456 2.106 10 70 EEIELO O[C@@H](CN1CC2(CCCC2)c2c1cccc2F)C[NH+]1CCOCC1 ZINC000160878716 463379378 /nfs/dbraw/zinc/37/93/78/463379378.db2.gz NTTNGYRHKCCLLE-OAHLLOKOSA-N 1 2 334.435 2.151 10 70 EEIELO CCN(CC)S(=O)(=O)c1ccc(SCCn2cc[nH+]c2)nc1 ZINC000159733121 311345219 /nfs/dbraw/zinc/34/52/19/311345219.db2.gz DFYHUKCKUXSSLC-UHFFFAOYSA-N 1 2 340.474 2.101 10 70 EEIELO Cc1ccc(N2CCCC2)c(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160413442 463336135 /nfs/dbraw/zinc/33/61/35/463336135.db2.gz UPWPSRWXYBHRGI-KRWDZBQOSA-N 1 2 343.471 2.188 10 70 EEIELO Cc1ccc(N2CCCC2)c(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160413442 463336141 /nfs/dbraw/zinc/33/61/41/463336141.db2.gz UPWPSRWXYBHRGI-KRWDZBQOSA-N 1 2 343.471 2.188 10 70 EEIELO CCCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)OC(C)(C)C ZINC000161103121 463399781 /nfs/dbraw/zinc/39/97/81/463399781.db2.gz MYFYTYKZRFBNPR-ZIAGYGMSSA-N 1 2 344.521 2.440 10 70 EEIELO CCc1cccc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000160630961 311356731 /nfs/dbraw/zinc/35/67/31/311356731.db2.gz NXNCXDIDMSZOMH-IBGZPJMESA-N 1 2 348.512 2.116 10 70 EEIELO CCC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000161121373 311362446 /nfs/dbraw/zinc/36/24/46/311362446.db2.gz HLVJVOHYRHWVBQ-INIZCTEOSA-N 1 2 333.457 2.476 10 70 EEIELO CCC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000161121373 311362447 /nfs/dbraw/zinc/36/24/47/311362447.db2.gz HLVJVOHYRHWVBQ-INIZCTEOSA-N 1 2 333.457 2.476 10 70 EEIELO O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159634335 463296369 /nfs/dbraw/zinc/29/63/69/463296369.db2.gz ITXYBPGJFZVEMC-MOPGFXCFSA-N 1 2 336.439 2.465 10 70 EEIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000161103468 463399477 /nfs/dbraw/zinc/39/94/77/463399477.db2.gz DKROFSIEMKRILG-CABCVRRESA-N 1 2 342.361 2.436 10 70 EEIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000161103468 463399481 /nfs/dbraw/zinc/39/94/81/463399481.db2.gz DKROFSIEMKRILG-CABCVRRESA-N 1 2 342.361 2.436 10 70 EEIELO O=C(CC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1 ZINC000159596026 463294191 /nfs/dbraw/zinc/29/41/91/463294191.db2.gz GCXFFCUTUGKYHZ-SJORKVTESA-N 1 2 344.411 2.433 10 70 EEIELO O=C(CC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1)Nc1ccccc1 ZINC000159596026 463294197 /nfs/dbraw/zinc/29/41/97/463294197.db2.gz GCXFFCUTUGKYHZ-SJORKVTESA-N 1 2 344.411 2.433 10 70 EEIELO CCc1cccc(CC)c1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161183353 463407642 /nfs/dbraw/zinc/40/76/42/463407642.db2.gz WGKXULFILISOQW-UHFFFAOYSA-N 1 2 349.456 2.098 10 70 EEIELO C[C@]1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CCCS1 ZINC000160177015 206283707 /nfs/dbraw/zinc/28/37/07/206283707.db2.gz PYNLIFVUHZMCFS-MRXNPFEDSA-N 1 2 331.445 2.352 10 70 EEIELO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000161177515 311363234 /nfs/dbraw/zinc/36/32/34/311363234.db2.gz HOOQEADSUUXREL-HUUCEWRRSA-N 1 2 342.361 2.434 10 70 EEIELO CN(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000161177515 311363236 /nfs/dbraw/zinc/36/32/36/311363236.db2.gz HOOQEADSUUXREL-HUUCEWRRSA-N 1 2 342.361 2.434 10 70 EEIELO CC(C)n1cc[nH+]c1CS(=O)(=O)CCC(=O)Nc1ccccc1 ZINC000161217095 311363425 /nfs/dbraw/zinc/36/34/25/311363425.db2.gz OGZPJFNPLGPTLN-UHFFFAOYSA-N 1 2 335.429 2.408 10 70 EEIELO CCOC(=O)C[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000159492490 463288416 /nfs/dbraw/zinc/28/84/16/463288416.db2.gz NLRYCLCHCPGQRG-JTQLQIEISA-N 1 2 336.215 2.228 10 70 EEIELO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000159492490 463288421 /nfs/dbraw/zinc/28/84/21/463288421.db2.gz NLRYCLCHCPGQRG-JTQLQIEISA-N 1 2 336.215 2.228 10 70 EEIELO Cc1ccccc1NC(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161213806 463410150 /nfs/dbraw/zinc/41/01/50/463410150.db2.gz PPURZKIFCZMTEC-UHFFFAOYSA-N 1 2 335.429 2.326 10 70 EEIELO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161244751 288392959 /nfs/dbraw/zinc/39/29/59/288392959.db2.gz BNLFOKOHVTYQHP-OIISXLGYSA-N 1 2 325.412 2.434 10 70 EEIELO Cn1c(C[N@@H+]2CCCn3nc(CO)cc3C2)cc2cc(F)ccc21 ZINC000217963855 241288187 /nfs/dbraw/zinc/28/81/87/241288187.db2.gz LWFHNLHDHYWMTA-UHFFFAOYSA-N 1 2 328.391 2.412 10 70 EEIELO Cn1c(C[N@H+]2CCCn3nc(CO)cc3C2)cc2cc(F)ccc21 ZINC000217963855 241288194 /nfs/dbraw/zinc/28/81/94/241288194.db2.gz LWFHNLHDHYWMTA-UHFFFAOYSA-N 1 2 328.391 2.412 10 70 EEIELO c1nn(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161410781 463429017 /nfs/dbraw/zinc/42/90/17/463429017.db2.gz DVVRAFLECHZRIZ-HNNXBMFYSA-N 1 2 349.442 2.185 10 70 EEIELO c1nn(-c2ccccc2)nc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161410781 463429021 /nfs/dbraw/zinc/42/90/21/463429021.db2.gz DVVRAFLECHZRIZ-HNNXBMFYSA-N 1 2 349.442 2.185 10 70 EEIELO COc1ccccc1N1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000161197384 539526305 /nfs/dbraw/zinc/52/63/05/539526305.db2.gz AIIWTRFZBLZROX-HNNXBMFYSA-N 1 2 328.416 2.067 10 70 EEIELO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCOC2(CCCC2)C1 ZINC000159598708 225247308 /nfs/dbraw/zinc/24/73/08/225247308.db2.gz XBNOYLBNNUMSJG-UHFFFAOYSA-N 1 2 341.415 2.122 10 70 EEIELO Cn1c(C[N@H+](CCC(N)=O)Cc2ccccc2)nnc1-c1ccccc1 ZINC000160726786 311357956 /nfs/dbraw/zinc/35/79/56/311357956.db2.gz XQWLJRPHCASRIV-UHFFFAOYSA-N 1 2 349.438 2.360 10 70 EEIELO Cn1c(C[N@@H+](CCC(N)=O)Cc2ccccc2)nnc1-c1ccccc1 ZINC000160726786 311357957 /nfs/dbraw/zinc/35/79/57/311357957.db2.gz XQWLJRPHCASRIV-UHFFFAOYSA-N 1 2 349.438 2.360 10 70 EEIELO COC(=O)c1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000159617896 534112654 /nfs/dbraw/zinc/11/26/54/534112654.db2.gz OMZNUHJAWYBZFQ-SJORKVTESA-N 1 2 345.395 2.391 10 70 EEIELO COC(=O)c1ccc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000159617896 534112662 /nfs/dbraw/zinc/11/26/62/534112662.db2.gz OMZNUHJAWYBZFQ-SJORKVTESA-N 1 2 345.395 2.391 10 70 EEIELO CC[C@@H](C)OCC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000160525680 463347165 /nfs/dbraw/zinc/34/71/65/463347165.db2.gz LSRJZZFQYMAFJI-HUUCEWRRSA-N 1 2 340.489 2.395 10 70 EEIELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160254911 225372375 /nfs/dbraw/zinc/37/23/75/225372375.db2.gz VIIFFBIGBHGASX-UAGQMJEPSA-N 1 2 346.475 2.342 10 70 EEIELO O=C(NCc1ccc(Cl)cn1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161125425 463402479 /nfs/dbraw/zinc/40/24/79/463402479.db2.gz KWRBMOBBUMTDRN-UHFFFAOYSA-N 1 2 345.834 2.157 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000161324708 463421073 /nfs/dbraw/zinc/42/10/73/463421073.db2.gz XETIWILWJQYJIH-LBPRGKRZSA-N 1 2 349.385 2.394 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000161324708 463421076 /nfs/dbraw/zinc/42/10/76/463421076.db2.gz XETIWILWJQYJIH-LBPRGKRZSA-N 1 2 349.385 2.394 10 70 EEIELO Cc1cc(C)c(C)c(OCCC(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160414546 463337279 /nfs/dbraw/zinc/33/72/79/463337279.db2.gz XSXPRGRXLDVQCX-SFHVURJKSA-N 1 2 346.471 2.360 10 70 EEIELO Cc1cc(C)c(C)c(OCCC(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160414546 463337284 /nfs/dbraw/zinc/33/72/84/463337284.db2.gz XSXPRGRXLDVQCX-SFHVURJKSA-N 1 2 346.471 2.360 10 70 EEIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000161221135 463411828 /nfs/dbraw/zinc/41/18/28/463411828.db2.gz YVVOIKVJLJTMDK-UHFFFAOYSA-N 1 2 326.422 2.260 10 70 EEIELO CCCNC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161163749 463405632 /nfs/dbraw/zinc/40/56/32/463405632.db2.gz ZTLLLSFSEVSBAK-UONOGXRCSA-N 1 2 330.350 2.339 10 70 EEIELO CCCNC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161163749 463405636 /nfs/dbraw/zinc/40/56/36/463405636.db2.gz ZTLLLSFSEVSBAK-UONOGXRCSA-N 1 2 330.350 2.339 10 70 EEIELO CNC(=O)c1cccc(CCC(=O)Nc2ccc[nH+]c2N(C)C)c1 ZINC000160441125 311354308 /nfs/dbraw/zinc/35/43/08/311354308.db2.gz KLHNFAPCSOYKJM-UHFFFAOYSA-N 1 2 326.400 2.079 10 70 EEIELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000159492175 311342077 /nfs/dbraw/zinc/34/20/77/311342077.db2.gz HWJBIQUSOCCAAJ-LBPRGKRZSA-N 1 2 347.356 2.183 10 70 EEIELO CC(C)CN(CC(F)(F)F)C(=O)CSCC[NH+]1CCOCC1 ZINC000159815149 311346427 /nfs/dbraw/zinc/34/64/27/311346427.db2.gz PLNPSNSEKCYUDI-UHFFFAOYSA-N 1 2 342.427 2.099 10 70 EEIELO CN(C)c1[nH+]cccc1CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160577791 311355950 /nfs/dbraw/zinc/35/59/50/311355950.db2.gz XBFILCDZNNGEHF-UHFFFAOYSA-N 1 2 342.325 2.228 10 70 EEIELO CC(C)n1cc[nH+]c1CS(=O)(=O)CC(=O)NCC1CCCCC1 ZINC000161211836 463410971 /nfs/dbraw/zinc/41/09/71/463410971.db2.gz JZWRSLFOGNDVBL-UHFFFAOYSA-N 1 2 341.477 2.075 10 70 EEIELO COc1ccc(-c2nc(CSCC[NH+]3CCOCC3)no2)cc1 ZINC000160020895 463315914 /nfs/dbraw/zinc/31/59/14/463315914.db2.gz UHTKJNHTIWHSES-UHFFFAOYSA-N 1 2 335.429 2.311 10 70 EEIELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccccc2)CCCC1 ZINC000160454659 463340076 /nfs/dbraw/zinc/34/00/76/463340076.db2.gz HIUMPXFZRZJOMI-GOSISDBHSA-N 1 2 328.456 2.478 10 70 EEIELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1(c2ccccc2)CCCC1 ZINC000160454659 463340084 /nfs/dbraw/zinc/34/00/84/463340084.db2.gz HIUMPXFZRZJOMI-GOSISDBHSA-N 1 2 328.456 2.478 10 70 EEIELO CC(C)N(C[C@H](C)O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000159472237 311341993 /nfs/dbraw/zinc/34/19/93/311341993.db2.gz YWNPAQDTQKMXSR-XJKSGUPXSA-N 1 2 348.422 2.449 10 70 EEIELO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000160617485 311356603 /nfs/dbraw/zinc/35/66/03/311356603.db2.gz YRQMQHNBCOEIOQ-IAGOWNOFSA-N 1 2 328.416 2.298 10 70 EEIELO Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000160547286 463349166 /nfs/dbraw/zinc/34/91/66/463349166.db2.gz NZJCVBNVFAZHJB-UHFFFAOYSA-N 1 2 337.431 2.382 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000161311370 463418576 /nfs/dbraw/zinc/41/85/76/463418576.db2.gz ZXJLNIRASMPPHY-AWEZNQCLSA-N 1 2 343.431 2.125 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000161311370 463418582 /nfs/dbraw/zinc/41/85/82/463418582.db2.gz ZXJLNIRASMPPHY-AWEZNQCLSA-N 1 2 343.431 2.125 10 70 EEIELO Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C)O2)[NH+]2CCOCC2)s1 ZINC000159588597 539517062 /nfs/dbraw/zinc/51/70/62/539517062.db2.gz XMWLTDDPCMAYKM-QEJZJMRPSA-N 1 2 338.473 2.114 10 70 EEIELO CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159837395 311347086 /nfs/dbraw/zinc/34/70/86/311347086.db2.gz XDHMBFAMOWACPB-OAHLLOKOSA-N 1 2 330.457 2.472 10 70 EEIELO CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)cs1 ZINC000159837395 311347087 /nfs/dbraw/zinc/34/70/87/311347087.db2.gz XDHMBFAMOWACPB-OAHLLOKOSA-N 1 2 330.457 2.472 10 70 EEIELO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000161018945 311361052 /nfs/dbraw/zinc/36/10/52/311361052.db2.gz HHARECXFHSVSCK-IBGZPJMESA-N 1 2 344.455 2.299 10 70 EEIELO COC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160704283 311357940 /nfs/dbraw/zinc/35/79/40/311357940.db2.gz FAGKYPQEUKVMBE-WKPIXPDZSA-N 1 2 327.375 2.044 10 70 EEIELO COC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160704283 311357941 /nfs/dbraw/zinc/35/79/41/311357941.db2.gz FAGKYPQEUKVMBE-WKPIXPDZSA-N 1 2 327.375 2.044 10 70 EEIELO C[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000160461688 463341036 /nfs/dbraw/zinc/34/10/36/463341036.db2.gz AYUNVYKMJRCULJ-NEPJUHHUSA-N 1 2 344.502 2.002 10 70 EEIELO C[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)[N@H+]1CCC[C@@H](C)C1 ZINC000160461688 463341039 /nfs/dbraw/zinc/34/10/39/463341039.db2.gz AYUNVYKMJRCULJ-NEPJUHHUSA-N 1 2 344.502 2.002 10 70 EEIELO CC[C@H](C)OCC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000160529211 463346383 /nfs/dbraw/zinc/34/63/83/463346383.db2.gz VGUZSQYWYRIVBG-ZFWWWQNUSA-N 1 2 340.489 2.361 10 70 EEIELO NC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160613945 463355538 /nfs/dbraw/zinc/35/55/38/463355538.db2.gz LHURLSIANMSTLS-MRXNPFEDSA-N 1 2 339.443 2.441 10 70 EEIELO NC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160613945 463355543 /nfs/dbraw/zinc/35/55/43/463355543.db2.gz LHURLSIANMSTLS-MRXNPFEDSA-N 1 2 339.443 2.441 10 70 EEIELO CCCNC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161163611 463405889 /nfs/dbraw/zinc/40/58/89/463405889.db2.gz ZTLLLSFSEVSBAK-ZIAGYGMSSA-N 1 2 330.350 2.339 10 70 EEIELO 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C[C@H]1C[NH+]=C(N2CCN(c3nc(C(C)(C)C)ns3)CC2)S1 ZINC000159658085 463297216 /nfs/dbraw/zinc/29/72/16/463297216.db2.gz SEHOCFFNCRRVDN-JTQLQIEISA-N 1 2 325.507 2.449 10 70 EEIELO NC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160614068 463354887 /nfs/dbraw/zinc/35/48/87/463354887.db2.gz LHURLSIANMSTLS-INIZCTEOSA-N 1 2 339.443 2.441 10 70 EEIELO NC(=O)c1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160614068 463354891 /nfs/dbraw/zinc/35/48/91/463354891.db2.gz LHURLSIANMSTLS-INIZCTEOSA-N 1 2 339.443 2.441 10 70 EEIELO COC(=O)c1ccc(CS(=O)(=O)Cc2[nH+]ccn2C(C)C)cc1 ZINC000161212113 463410614 /nfs/dbraw/zinc/41/06/14/463410614.db2.gz PWTIHBKKSRYQGX-UHFFFAOYSA-N 1 2 336.413 2.366 10 70 EEIELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCc2ccco2)CC1 ZINC000159474088 311342039 /nfs/dbraw/zinc/34/20/39/311342039.db2.gz QRXCROCINQLUBU-OAHLLOKOSA-N 1 2 345.418 2.414 10 70 EEIELO CN(C)c1[nH+]cccc1CNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159834964 463306205 /nfs/dbraw/zinc/30/62/05/463306205.db2.gz VEGLHPUTTAGRSJ-UHFFFAOYSA-N 1 2 341.371 2.040 10 70 EEIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000161103353 463399942 /nfs/dbraw/zinc/39/99/42/463399942.db2.gz DKROFSIEMKRILG-LSDHHAIUSA-N 1 2 342.361 2.436 10 70 EEIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCCC1 ZINC000161103353 463399946 /nfs/dbraw/zinc/39/99/46/463399946.db2.gz DKROFSIEMKRILG-LSDHHAIUSA-N 1 2 342.361 2.436 10 70 EEIELO CC[C@H](C)OCC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000160533760 206301923 /nfs/dbraw/zinc/30/19/23/206301923.db2.gz XVVLWMVDKNOSFN-ZNMIVQPWSA-N 1 2 340.489 2.441 10 70 EEIELO CC[C@H](C)OCC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000160533760 206301928 /nfs/dbraw/zinc/30/19/28/206301928.db2.gz XVVLWMVDKNOSFN-ZNMIVQPWSA-N 1 2 340.489 2.441 10 70 EEIELO CN(C)c1[nH+]cccc1CNS(=O)(=O)Cc1c(F)cccc1F ZINC000160617121 311356472 /nfs/dbraw/zinc/35/64/72/311356472.db2.gz PZLCZDBGJNBTID-UHFFFAOYSA-N 1 2 341.383 2.045 10 70 EEIELO O=C(Cc1c[nH+]c[nH]1)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000217415697 241248386 /nfs/dbraw/zinc/24/83/86/241248386.db2.gz FPZMTCNYTQQPSD-UHFFFAOYSA-N 1 2 327.363 2.374 10 70 EEIELO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000159836142 311347202 /nfs/dbraw/zinc/34/72/02/311347202.db2.gz SDAKGCGRMNKUJL-AWEZNQCLSA-N 1 2 337.468 2.486 10 70 EEIELO CCCn1c(C)nnc1C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000159836142 311347203 /nfs/dbraw/zinc/34/72/03/311347203.db2.gz SDAKGCGRMNKUJL-AWEZNQCLSA-N 1 2 337.468 2.486 10 70 EEIELO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000159492681 463288747 /nfs/dbraw/zinc/28/87/47/463288747.db2.gz NLRYCLCHCPGQRG-SNVBAGLBSA-N 1 2 336.215 2.228 10 70 EEIELO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000159492681 463288752 /nfs/dbraw/zinc/28/87/52/463288752.db2.gz NLRYCLCHCPGQRG-SNVBAGLBSA-N 1 2 336.215 2.228 10 70 EEIELO CN(C)c1[nH+]cccc1CNC(=O)NCc1nc(C2CC2)cs1 ZINC000160244174 311351655 /nfs/dbraw/zinc/35/16/55/311351655.db2.gz AKRIEVMLBGSRIG-UHFFFAOYSA-N 1 2 331.445 2.481 10 70 EEIELO Cc1cc(C[C@H](C)NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1 ZINC000161161487 311362891 /nfs/dbraw/zinc/36/28/91/311362891.db2.gz QLXHUDQPPZQNPW-ZFWWWQNUSA-N 1 2 326.444 2.212 10 70 EEIELO Cc1cc(C[C@H](C)NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000161161487 311362893 /nfs/dbraw/zinc/36/28/93/311362893.db2.gz QLXHUDQPPZQNPW-ZFWWWQNUSA-N 1 2 326.444 2.212 10 70 EEIELO CC(C)N(C[C@@H](C)O)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000159472077 311342153 /nfs/dbraw/zinc/34/21/53/311342153.db2.gz YWNPAQDTQKMXSR-CZUORRHYSA-N 1 2 348.422 2.449 10 70 EEIELO Cc1sc2nc(CSCC[NH+]3CCOCC3)nc(N)c2c1C ZINC000159973855 311348396 /nfs/dbraw/zinc/34/83/96/311348396.db2.gz HAYNBMSRZJZTNP-UHFFFAOYSA-N 1 2 338.502 2.456 10 70 EEIELO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)n1 ZINC000160586839 463352827 /nfs/dbraw/zinc/35/28/27/463352827.db2.gz OLUXWTPQYNYILO-UHFFFAOYSA-N 1 2 346.475 2.359 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000161324977 463420364 /nfs/dbraw/zinc/42/03/64/463420364.db2.gz RPIIBWBPPXNKEF-LBPRGKRZSA-N 1 2 349.385 2.394 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000161324977 463420371 /nfs/dbraw/zinc/42/03/71/463420371.db2.gz RPIIBWBPPXNKEF-LBPRGKRZSA-N 1 2 349.385 2.394 10 70 EEIELO C[C@@H]1C[NH+]=C(N2CCN(c3nc(C(C)(C)C)ns3)CC2)S1 ZINC000159657938 463297556 /nfs/dbraw/zinc/29/75/56/463297556.db2.gz SEHOCFFNCRRVDN-SNVBAGLBSA-N 1 2 325.507 2.449 10 70 EEIELO C[C@H](CS(C)(=O)=O)N(CC[N@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000159674129 463299085 /nfs/dbraw/zinc/29/90/85/463299085.db2.gz JMONLJQDWOQWGI-CQSZACIVSA-N 1 2 342.480 2.155 10 70 EEIELO C[C@H](CS(C)(=O)=O)N(CC[N@@H+](C)Cc1ccc(F)cc1)C1CC1 ZINC000159674129 463299088 /nfs/dbraw/zinc/29/90/88/463299088.db2.gz JMONLJQDWOQWGI-CQSZACIVSA-N 1 2 342.480 2.155 10 70 EEIELO C[C@H](CS(C)(=O)=O)[N@H+](CCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000159674129 463299092 /nfs/dbraw/zinc/29/90/92/463299092.db2.gz JMONLJQDWOQWGI-CQSZACIVSA-N 1 2 342.480 2.155 10 70 EEIELO C[C@H](CS(C)(=O)=O)[N@@H+](CCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000159674129 463299097 /nfs/dbraw/zinc/29/90/97/463299097.db2.gz JMONLJQDWOQWGI-CQSZACIVSA-N 1 2 342.480 2.155 10 70 EEIELO CN(C)c1[nH+]cccc1CNC(=O)CCCc1nc(C2CC2)no1 ZINC000159836476 463306689 /nfs/dbraw/zinc/30/66/89/463306689.db2.gz POXNZNUIMVYBOF-UHFFFAOYSA-N 1 2 329.404 2.047 10 70 EEIELO CCCN(CCC)C(=O)CS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161219928 463411503 /nfs/dbraw/zinc/41/15/03/463411503.db2.gz UFNDFCKDFJWUBR-UHFFFAOYSA-N 1 2 329.466 2.027 10 70 EEIELO CC[C@@H](C)OCC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000160525450 463346999 /nfs/dbraw/zinc/34/69/99/463346999.db2.gz LSRJZZFQYMAFJI-CABCVRRESA-N 1 2 340.489 2.395 10 70 EEIELO CCc1nn(C)c(Cl)c1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160478033 463340893 /nfs/dbraw/zinc/34/08/93/463340893.db2.gz ZNKBZFMYPWAHOI-UHFFFAOYSA-N 1 2 347.850 2.430 10 70 EEIELO Cc1nc(C[C@H]2CCC[N@H+](CCS(=O)(=O)c3ccccc3)C2)no1 ZINC000161046734 463394131 /nfs/dbraw/zinc/39/41/31/463394131.db2.gz WCGQCZQFWHWZGP-OAHLLOKOSA-N 1 2 349.456 2.106 10 70 EEIELO Cc1nc(C[C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccccc3)C2)no1 ZINC000161046734 463394137 /nfs/dbraw/zinc/39/41/37/463394137.db2.gz WCGQCZQFWHWZGP-OAHLLOKOSA-N 1 2 349.456 2.106 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000161324591 463421111 /nfs/dbraw/zinc/42/11/11/463421111.db2.gz XETIWILWJQYJIH-GFCCVEGCSA-N 1 2 349.385 2.394 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000161324591 463421115 /nfs/dbraw/zinc/42/11/15/463421115.db2.gz XETIWILWJQYJIH-GFCCVEGCSA-N 1 2 349.385 2.394 10 70 EEIELO O=C(NCC1(Cc2ccccc2)CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000160774447 463369191 /nfs/dbraw/zinc/36/91/91/463369191.db2.gz NVXYUEAKQYFEDJ-GOSISDBHSA-N 1 2 343.471 2.125 10 70 EEIELO C[C@@]1(CNC(=O)NCc2cccnc2-n2cc[nH+]c2)CCCS1 ZINC000160177118 534266595 /nfs/dbraw/zinc/26/65/95/534266595.db2.gz PYNLIFVUHZMCFS-INIZCTEOSA-N 1 2 331.445 2.352 10 70 EEIELO O=C(CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1 ZINC000159595886 463293504 /nfs/dbraw/zinc/29/35/04/463293504.db2.gz GCXFFCUTUGKYHZ-IRXDYDNUSA-N 1 2 344.411 2.433 10 70 EEIELO O=C(CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1)Nc1ccccc1 ZINC000159595886 463293506 /nfs/dbraw/zinc/29/35/06/463293506.db2.gz GCXFFCUTUGKYHZ-IRXDYDNUSA-N 1 2 344.411 2.433 10 70 EEIELO O=C(NCC1(Cc2ccccc2)CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000160774324 463369443 /nfs/dbraw/zinc/36/94/43/463369443.db2.gz NVXYUEAKQYFEDJ-SFHVURJKSA-N 1 2 343.471 2.125 10 70 EEIELO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161245011 463413226 /nfs/dbraw/zinc/41/32/26/463413226.db2.gz BNLFOKOHVTYQHP-DJIMGWMZSA-N 1 2 325.412 2.434 10 70 EEIELO CC(C)OC(=O)CCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000160141087 463320494 /nfs/dbraw/zinc/32/04/94/463320494.db2.gz BNSCBVABVMGXAD-UHFFFAOYSA-N 1 2 348.447 2.035 10 70 EEIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175495 463406746 /nfs/dbraw/zinc/40/67/46/463406746.db2.gz STBYBLWWFQMKRU-UONOGXRCSA-N 1 2 328.334 2.092 10 70 EEIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175495 463406752 /nfs/dbraw/zinc/40/67/52/463406752.db2.gz STBYBLWWFQMKRU-UONOGXRCSA-N 1 2 328.334 2.092 10 70 EEIELO CCC[C@@H](C)NC(=O)[C@@H](C)S(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000161212864 463410925 /nfs/dbraw/zinc/41/09/25/463410925.db2.gz KTNPQHZUPWOVRE-CHWSQXEVSA-N 1 2 329.466 2.072 10 70 EEIELO CCOc1ccccc1N1CC[NH+](CCCCS(C)(=O)=O)CC1 ZINC000161087092 539525096 /nfs/dbraw/zinc/52/50/96/539525096.db2.gz CHCJNISXMKPUDO-UHFFFAOYSA-N 1 2 340.489 2.032 10 70 EEIELO Cc1cccc2[nH+]c(CNC(=O)N3CCC(c4cc[nH]n4)CC3)cn21 ZINC000159544502 463291279 /nfs/dbraw/zinc/29/12/79/463291279.db2.gz SJDLBFQHURTHPB-UHFFFAOYSA-N 1 2 338.415 2.455 10 70 EEIELO CCOC(=O)c1c[nH+]c2ccccc2c1N1CCS(=O)(=O)[C@@H](C)C1 ZINC000160737620 463366875 /nfs/dbraw/zinc/36/68/75/463366875.db2.gz NNZGJCRYCFTBCN-LBPRGKRZSA-N 1 2 348.424 2.035 10 70 EEIELO CN(C)c1[nH+]cccc1CNC(=O)N(C)CCC(=O)OC(C)(C)C ZINC000160250984 311351707 /nfs/dbraw/zinc/35/17/07/311351707.db2.gz UPZYGZKTXNNTCC-UHFFFAOYSA-N 1 2 336.436 2.021 10 70 EEIELO C[C@H](CNC(=O)Cc1c[nH]c2ccc(Cl)cc12)[NH+]1CCOCC1 ZINC000159642464 463296254 /nfs/dbraw/zinc/29/62/54/463296254.db2.gz ULJMEGSMYUMJNQ-GFCCVEGCSA-N 1 2 335.835 2.201 10 70 EEIELO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)c1ccc2c(c1)CCC2 ZINC000161347063 463423387 /nfs/dbraw/zinc/42/33/87/463423387.db2.gz KQOCQRFOQZLQSO-KRWDZBQOSA-N 1 2 335.407 2.148 10 70 EEIELO CCc1nc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cs1 ZINC000160104575 311350045 /nfs/dbraw/zinc/35/00/45/311350045.db2.gz SMNGVFMCKRSNPM-UHFFFAOYSA-N 1 2 345.472 2.128 10 70 EEIELO COCCOc1cccc(CC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000160094928 237231653 /nfs/dbraw/zinc/23/16/53/237231653.db2.gz NDZMERYDOKLQRS-QGZVFWFLSA-N 1 2 343.427 2.142 10 70 EEIELO COc1c(C[NH+]2CCN(c3cccc(OC)c3)CC2)c(C)nn1C ZINC000160690010 311357232 /nfs/dbraw/zinc/35/72/32/311357232.db2.gz QBHOEIDLJSDTMR-UHFFFAOYSA-N 1 2 330.432 2.068 10 70 EEIELO CCCC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)OC(C)(C)C ZINC000161103030 463399913 /nfs/dbraw/zinc/39/99/13/463399913.db2.gz MYFYTYKZRFBNPR-KGLIPLIRSA-N 1 2 344.521 2.440 10 70 EEIELO c1nn(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161410935 463428865 /nfs/dbraw/zinc/42/88/65/463428865.db2.gz DVVRAFLECHZRIZ-OAHLLOKOSA-N 1 2 349.442 2.185 10 70 EEIELO c1nn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161410935 463428869 /nfs/dbraw/zinc/42/88/69/463428869.db2.gz DVVRAFLECHZRIZ-OAHLLOKOSA-N 1 2 349.442 2.185 10 70 EEIELO Cn1ncc2c1nc[nH+]c2SCc1nnc(-c2ccccc2)n1C ZINC000161017488 463391762 /nfs/dbraw/zinc/39/17/62/463391762.db2.gz YSKCOGIOXPLSED-UHFFFAOYSA-N 1 2 337.412 2.451 10 70 EEIELO CN(C)C(=O)C(C)(C)[NH2+]Cc1nc2ccc(Br)cc2[nH]1 ZINC000160557804 311355630 /nfs/dbraw/zinc/35/56/30/311355630.db2.gz HRNNHGAJMCNDQS-UHFFFAOYSA-N 1 2 339.237 2.282 10 70 EEIELO CC(C)(C)OC(=O)CC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159370897 526355168 /nfs/dbraw/zinc/35/51/68/526355168.db2.gz MUXLRSOYNYXGEM-KBPBESRZSA-N 1 2 325.405 2.136 10 70 EEIELO CC(C)(C)OC(=O)CC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159370897 526355174 /nfs/dbraw/zinc/35/51/74/526355174.db2.gz MUXLRSOYNYXGEM-KBPBESRZSA-N 1 2 325.405 2.136 10 70 EEIELO CC[C@H](C)OCC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000160529479 463346452 /nfs/dbraw/zinc/34/64/52/463346452.db2.gz VGUZSQYWYRIVBG-DZGCQCFKSA-N 1 2 340.489 2.361 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2csc(NC(C)=O)n2)C1 ZINC000161326476 463420915 /nfs/dbraw/zinc/42/09/15/463420915.db2.gz FLHKOSYVRBXYMZ-GFCCVEGCSA-N 1 2 334.449 2.093 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2csc(NC(C)=O)n2)C1 ZINC000161326476 463420920 /nfs/dbraw/zinc/42/09/20/463420920.db2.gz FLHKOSYVRBXYMZ-GFCCVEGCSA-N 1 2 334.449 2.093 10 70 EEIELO O=C(CCOc1ccccc1Cl)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160443051 463340491 /nfs/dbraw/zinc/34/04/91/463340491.db2.gz HKSFWJGHRPSJTL-CQSZACIVSA-N 1 2 338.835 2.088 10 70 EEIELO O=C(CCOc1ccccc1Cl)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160443051 463340496 /nfs/dbraw/zinc/34/04/96/463340496.db2.gz HKSFWJGHRPSJTL-CQSZACIVSA-N 1 2 338.835 2.088 10 70 EEIELO CC[C@H](C)OCC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000160534037 463347557 /nfs/dbraw/zinc/34/75/57/463347557.db2.gz XVVLWMVDKNOSFN-RRFJBIMHSA-N 1 2 340.489 2.441 10 70 EEIELO CC[C@H](C)OCC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000160534037 463347563 /nfs/dbraw/zinc/34/75/63/463347563.db2.gz XVVLWMVDKNOSFN-RRFJBIMHSA-N 1 2 340.489 2.441 10 70 EEIELO COc1ncnc2c1C[N@H+](CCC(=O)Nc1cccc(F)c1)CC2 ZINC000160627373 463355974 /nfs/dbraw/zinc/35/59/74/463355974.db2.gz IZACTKBVZZPTNK-UHFFFAOYSA-N 1 2 330.363 2.011 10 70 EEIELO COc1ncnc2c1C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC2 ZINC000160627373 463355977 /nfs/dbraw/zinc/35/59/77/463355977.db2.gz IZACTKBVZZPTNK-UHFFFAOYSA-N 1 2 330.363 2.011 10 70 EEIELO CC[C@@H](C)OCC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000160529347 463346766 /nfs/dbraw/zinc/34/67/66/463346766.db2.gz VGUZSQYWYRIVBG-UKRRQHHQSA-N 1 2 340.489 2.361 10 70 EEIELO CCc1c(C(=O)Nc2ccccc2-n2cc[nH+]c2)[nH]c(C)c1C(N)=O ZINC000161159941 463405878 /nfs/dbraw/zinc/40/58/78/463405878.db2.gz CHAAYYNNXATGGE-UHFFFAOYSA-N 1 2 337.383 2.422 10 70 EEIELO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175605 463407165 /nfs/dbraw/zinc/40/71/65/463407165.db2.gz STBYBLWWFQMKRU-KGLIPLIRSA-N 1 2 328.334 2.092 10 70 EEIELO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175605 463407168 /nfs/dbraw/zinc/40/71/68/463407168.db2.gz STBYBLWWFQMKRU-KGLIPLIRSA-N 1 2 328.334 2.092 10 70 EEIELO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000161148094 463404465 /nfs/dbraw/zinc/40/44/65/463404465.db2.gz BTDRZAFVSZJOHD-JONQDZQNSA-N 1 2 330.432 2.015 10 70 EEIELO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CC1 ZINC000161164821 463405610 /nfs/dbraw/zinc/40/56/10/463405610.db2.gz JVYVTRIJXWLMSH-LSDHHAIUSA-N 1 2 342.361 2.339 10 70 EEIELO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CC1 ZINC000161164821 463405616 /nfs/dbraw/zinc/40/56/16/463405616.db2.gz JVYVTRIJXWLMSH-LSDHHAIUSA-N 1 2 342.361 2.339 10 70 EEIELO CC(C)NC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161164020 206333177 /nfs/dbraw/zinc/33/31/77/206333177.db2.gz FYGPCFPWAHMVIZ-UONOGXRCSA-N 1 2 330.350 2.338 10 70 EEIELO CC(C)NC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161164020 206333180 /nfs/dbraw/zinc/33/31/80/206333180.db2.gz FYGPCFPWAHMVIZ-UONOGXRCSA-N 1 2 330.350 2.338 10 70 EEIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CC1 ZINC000161165064 206333555 /nfs/dbraw/zinc/33/35/55/206333555.db2.gz JVYVTRIJXWLMSH-HUUCEWRRSA-N 1 2 342.361 2.339 10 70 EEIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NCC1CC1 ZINC000161165064 206333559 /nfs/dbraw/zinc/33/35/59/206333559.db2.gz JVYVTRIJXWLMSH-HUUCEWRRSA-N 1 2 342.361 2.339 10 70 EEIELO C[N@H+](C[C@H]1CCCO1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000160274046 463325605 /nfs/dbraw/zinc/32/56/05/463325605.db2.gz HYAXIHHDUSXWBP-MFKMUULPSA-N 1 2 345.212 2.225 10 70 EEIELO C[N@@H+](C[C@H]1CCCO1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000160274046 463325608 /nfs/dbraw/zinc/32/56/08/463325608.db2.gz HYAXIHHDUSXWBP-MFKMUULPSA-N 1 2 345.212 2.225 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@H+](Cc2csc(NC(C)=O)n2)C1 ZINC000161326594 463420638 /nfs/dbraw/zinc/42/06/38/463420638.db2.gz FLHKOSYVRBXYMZ-LBPRGKRZSA-N 1 2 334.449 2.093 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2csc(NC(C)=O)n2)C1 ZINC000161326594 463420645 /nfs/dbraw/zinc/42/06/45/463420645.db2.gz FLHKOSYVRBXYMZ-LBPRGKRZSA-N 1 2 334.449 2.093 10 70 EEIELO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175709 463406867 /nfs/dbraw/zinc/40/68/67/463406867.db2.gz STBYBLWWFQMKRU-ZIAGYGMSSA-N 1 2 328.334 2.092 10 70 EEIELO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175709 463406871 /nfs/dbraw/zinc/40/68/71/463406871.db2.gz STBYBLWWFQMKRU-ZIAGYGMSSA-N 1 2 328.334 2.092 10 70 EEIELO Cc1cccc2c(CCC(=O)NC[C@H](C)[NH+]3CCOCC3)c[nH]c21 ZINC000160209814 206284637 /nfs/dbraw/zinc/28/46/37/206284637.db2.gz QMGYFJOEYNPTBD-HNNXBMFYSA-N 1 2 329.444 2.246 10 70 EEIELO Cc1ccc(C)c(OCCC(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)c1 ZINC000160411857 463336096 /nfs/dbraw/zinc/33/60/96/463336096.db2.gz PLJOVHDIGIZFFY-QGZVFWFLSA-N 1 2 332.444 2.052 10 70 EEIELO Cc1ccc(C)c(OCCC(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)c1 ZINC000160411857 463336102 /nfs/dbraw/zinc/33/61/02/463336102.db2.gz PLJOVHDIGIZFFY-QGZVFWFLSA-N 1 2 332.444 2.052 10 70 EEIELO CC(C)c1nc(N(C)C)nc(N[C@@H](C)c2nnc3n2CCCC3)[nH+]1 ZINC000160601804 463353959 /nfs/dbraw/zinc/35/39/59/463353959.db2.gz XJYVYUDFEDYZHV-NSHDSACASA-N 1 2 330.440 2.162 10 70 EEIELO CC(C)c1nc(N[C@@H](C)c2nnc3n2CCCC3)nc(N(C)C)[nH+]1 ZINC000160601804 463353964 /nfs/dbraw/zinc/35/39/64/463353964.db2.gz XJYVYUDFEDYZHV-NSHDSACASA-N 1 2 330.440 2.162 10 70 EEIELO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175380 463406985 /nfs/dbraw/zinc/40/69/85/463406985.db2.gz STBYBLWWFQMKRU-KBPBESRZSA-N 1 2 328.334 2.092 10 70 EEIELO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC1CC1 ZINC000161175380 463406988 /nfs/dbraw/zinc/40/69/88/463406988.db2.gz STBYBLWWFQMKRU-KBPBESRZSA-N 1 2 328.334 2.092 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000161306425 463417680 /nfs/dbraw/zinc/41/76/80/463417680.db2.gz DJMYKULZBKIHQV-GFCCVEGCSA-N 1 2 348.838 2.165 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000161306425 463417685 /nfs/dbraw/zinc/41/76/85/463417685.db2.gz DJMYKULZBKIHQV-GFCCVEGCSA-N 1 2 348.838 2.165 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000161309018 463418402 /nfs/dbraw/zinc/41/84/02/463418402.db2.gz NWLSTXJMNCWJEN-ZDUSSCGKSA-N 1 2 331.395 2.255 10 70 EEIELO CCn1cnnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000161309018 463418408 /nfs/dbraw/zinc/41/84/08/463418408.db2.gz NWLSTXJMNCWJEN-ZDUSSCGKSA-N 1 2 331.395 2.255 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000161324860 463420495 /nfs/dbraw/zinc/42/04/95/463420495.db2.gz RPIIBWBPPXNKEF-GFCCVEGCSA-N 1 2 349.385 2.394 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000161324860 463420499 /nfs/dbraw/zinc/42/04/99/463420499.db2.gz RPIIBWBPPXNKEF-GFCCVEGCSA-N 1 2 349.385 2.394 10 70 EEIELO CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1[nH+]ccn1C ZINC000160724012 311357826 /nfs/dbraw/zinc/35/78/26/311357826.db2.gz LPZDQBUMUTVUTK-UHFFFAOYSA-N 1 2 348.472 2.013 10 70 EEIELO Cc1cc(C[C@@H](C)NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)n[nH]1 ZINC000161161383 311362783 /nfs/dbraw/zinc/36/27/83/311362783.db2.gz QLXHUDQPPZQNPW-HIFRSBDPSA-N 1 2 326.444 2.212 10 70 EEIELO Cc1cc(C[C@@H](C)NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)n[nH]1 ZINC000161161383 311362784 /nfs/dbraw/zinc/36/27/84/311362784.db2.gz QLXHUDQPPZQNPW-HIFRSBDPSA-N 1 2 326.444 2.212 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000161309415 463418601 /nfs/dbraw/zinc/41/86/01/463418601.db2.gz ANIAULYUBHUFGM-CYBMUJFWSA-N 1 2 331.395 2.255 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000161309415 463418604 /nfs/dbraw/zinc/41/86/04/463418604.db2.gz ANIAULYUBHUFGM-CYBMUJFWSA-N 1 2 331.395 2.255 10 70 EEIELO CCC[C@H]1CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC000160331360 159708708 /nfs/dbraw/zinc/70/87/08/159708708.db2.gz UPBMASZEUZUOKE-INIZCTEOSA-N 1 2 332.448 2.261 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000161269184 463414647 /nfs/dbraw/zinc/41/46/47/463414647.db2.gz IXUSURBDDBOSEA-OAHLLOKOSA-N 1 2 337.431 2.258 10 70 EEIELO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000161269184 463414653 /nfs/dbraw/zinc/41/46/53/463414653.db2.gz IXUSURBDDBOSEA-OAHLLOKOSA-N 1 2 337.431 2.258 10 70 EEIELO COc1ccccc1N1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000161197499 539526317 /nfs/dbraw/zinc/52/63/17/539526317.db2.gz AIIWTRFZBLZROX-OAHLLOKOSA-N 1 2 328.416 2.067 10 70 EEIELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)NCC(F)(F)F)CC1 ZINC000159492313 311342090 /nfs/dbraw/zinc/34/20/90/311342090.db2.gz HWJBIQUSOCCAAJ-GFCCVEGCSA-N 1 2 347.356 2.183 10 70 EEIELO CCc1ncc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cn1 ZINC000161195485 159720711 /nfs/dbraw/zinc/72/07/11/159720711.db2.gz YBNZVCJWRQCNQK-ZDUSSCGKSA-N 1 2 328.420 2.259 10 70 EEIELO C[C@H](CCO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161421996 463429580 /nfs/dbraw/zinc/42/95/80/463429580.db2.gz CDKJZNDQFRAPJQ-VCTAVGKDSA-N 1 2 343.830 2.294 10 70 EEIELO C[C@H](CCO)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161421996 463429585 /nfs/dbraw/zinc/42/95/85/463429585.db2.gz CDKJZNDQFRAPJQ-VCTAVGKDSA-N 1 2 343.830 2.294 10 70 EEIELO CCc1c(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)[nH]c(C)c1C(N)=O ZINC000160632342 463357379 /nfs/dbraw/zinc/35/73/79/463357379.db2.gz VTZBRLUSCXFUOC-UHFFFAOYSA-N 1 2 337.383 2.422 10 70 EEIELO 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