smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C#CCc1ccccc1)C/C(Cl)=C(/Cl)c1ccccc1 ZINC000001788194 717089940 /nfs/dbraw/zinc/08/99/40/717089940.db2.gz HSRCOCFGKJAWOE-VXPUYCOJSA-N 1 0 345.293 5.113 10 30 EKEERO CC(C)[NH+](CCO/N=C1\CCCCC\C1=C/c1ccccc1)C(C)C ZINC000004214343 519649867 /nfs/dbraw/zinc/64/98/67/519649867.db2.gz VIHOHTOSUXOBSD-SZVLODPRSA-N 1 0 342.527 5.526 10 30 in-man EKEERO C[C@@H](C[N+]1(C)CCCCCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000006487271 717104282 /nfs/dbraw/zinc/10/42/82/717104282.db2.gz URMASWXHWASBOC-NRFANRHFSA-N 1 0 347.526 5.153 10 30 EKEERO C=CCc1cc(C[NH2+]C2CCCCCCC2)cc(OC)c1OCC ZINC000013731273 211623598 /nfs/dbraw/zinc/62/35/98/211623598.db2.gz CRRKFYGXHQAGTL-UHFFFAOYSA-N 1 0 331.500 5.025 10 30 EKEERO CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)[N+](C)(C)C1CCCC1 ZINC000029415057 717118910 /nfs/dbraw/zinc/11/89/10/717118910.db2.gz GSUPILOARJKXEA-QGZVFWFLSA-O 1 0 345.551 5.279 10 30 EKEERO CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)[N+](C)(C)C1CCCC1 ZINC000029415059 717119034 /nfs/dbraw/zinc/11/90/34/717119034.db2.gz GSUPILOARJKXEA-KRWDZBQOSA-O 1 0 345.551 5.279 10 30 EKEERO CCN(CC)c1ccc(/C=[NH+]\N(c2ccccc2)c2ccccc2)cc1 ZINC000031333567 520884421 /nfs/dbraw/zinc/88/44/21/520884421.db2.gz YGBCLRRWZQSURU-CLCOLTQESA-N 1 0 343.474 5.705 10 30 EKEERO C/C(Cl)=C\C[N+]1(CC#Cc2cccc3ccccc23)CCCCC1 ZINC000033579070 717121074 /nfs/dbraw/zinc/12/10/74/717121074.db2.gz ULJOKHHTEHSMCI-XMHGGMMESA-N 1 0 338.902 5.335 10 30 EKEERO O=C1C=CC([N+](=O)[O-])=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1 ZINC000039944684 527368966 /nfs/dbraw/zinc/36/89/66/527368966.db2.gz RJMFWDDINGWTSG-MBRXBUDTSA-N 1 0 346.346 5.466 10 30 EKEERO CCCCCCCCCCCCCCCCOCCC[N+](C)(C)C ZINC000044181724 717129303 /nfs/dbraw/zinc/12/93/03/717129303.db2.gz QKTZVJSRVGCXCJ-UHFFFAOYSA-N 1 0 342.632 6.581 10 30 EKEERO CCCCCCCCCCCCCCCCCC[n+]1ccn(C)c1 ZINC000049756209 519995991 /nfs/dbraw/zinc/99/59/91/519995991.db2.gz MMJMYYUZGLJBST-UHFFFAOYSA-N 1 0 335.600 6.574 10 30 EKEERO CCCCCCCCCCCCCCCC[N+](C)(C)CCCO ZINC000059019957 717131050 /nfs/dbraw/zinc/13/10/50/717131050.db2.gz HQOBEZPLDKALRB-UHFFFAOYSA-N 1 0 328.605 5.927 10 30 EKEERO CCCCCCCCCC[N+](C)(CC)CCCCCCCCCC ZINC000059138150 717130805 /nfs/dbraw/zinc/13/08/05/717130805.db2.gz LMRZMJOPRAIBPR-UHFFFAOYSA-N 1 0 340.660 7.734 10 30 EKEERO C=C(C)C(=O)OCC[N+](C)(C)CCCCCCCCCCCC ZINC000059245382 717131576 /nfs/dbraw/zinc/13/15/76/717131576.db2.gz DLHYKNARXXDKMC-UHFFFAOYSA-N 1 0 326.545 5.103 10 30 EKEERO CCCCCCCCCCCCCCCCCC(=O)[N+](C)(C)C ZINC000059302067 717131650 /nfs/dbraw/zinc/13/16/50/717131650.db2.gz HFUMBCROCNBYQL-UHFFFAOYSA-N 1 0 326.589 6.481 10 30 EKEERO CCCCCCCC[NH2+]C(C)(C)c1ccc(Br)cc1 ZINC000059471807 214619771 /nfs/dbraw/zinc/61/97/71/214619771.db2.gz FHABZZNCHMOUAS-UHFFFAOYSA-N 1 0 326.322 5.634 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1 ZINC000078215319 717135299 /nfs/dbraw/zinc/13/52/99/717135299.db2.gz KXLOQZDPPMUHLF-UHFFFAOYSA-N 1 0 332.596 6.746 10 30 EKEERO c1csc(-c2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1 ZINC000095932876 218450625 /nfs/dbraw/zinc/45/06/25/218450625.db2.gz DETLSQFJIKIOJL-UHFFFAOYSA-N 1 0 345.512 6.511 10 30 EKEERO O=C(/C=C/C1=C[C@H]([C@@H]2CCCCC[NH2+]2)c2ccccc21)c1ccccc1 ZINC000097447424 219025508 /nfs/dbraw/zinc/02/55/08/219025508.db2.gz HDTMITJODROCMS-PNVKXUSSSA-N 1 0 343.470 5.139 10 30 EKEERO O=C(/C=C/C1=C[C@@H]([C@@H]2CCCCC[NH2+]2)c2ccccc21)c1ccccc1 ZINC000097447426 219025770 /nfs/dbraw/zinc/02/57/70/219025770.db2.gz HDTMITJODROCMS-WBWJIJALSA-N 1 0 343.470 5.139 10 30 EKEERO O=C(/C=C/C1=C[C@H]([C@H]2CCCCC[NH2+]2)c2ccccc21)c1ccccc1 ZINC000098211560 219087400 /nfs/dbraw/zinc/08/74/00/219087400.db2.gz HDTMITJODROCMS-GZDQNMDPSA-N 1 0 343.470 5.139 10 30 EKEERO O=C(/C=C/C1=C[C@@H]([C@H]2CCCCC[NH2+]2)c2ccccc21)c1ccccc1 ZINC000098211561 219087236 /nfs/dbraw/zinc/08/72/36/219087236.db2.gz HDTMITJODROCMS-VGKGJIMCSA-N 1 0 343.470 5.139 10 30 EKEERO CCCCCCCC[NH+](CCCCCCCC)CCc1ccccc1 ZINC000100001034 219088233 /nfs/dbraw/zinc/08/82/33/219088233.db2.gz BWASLLCDKPHWAK-UHFFFAOYSA-N 1 0 345.615 7.252 10 30 EKEERO CCCCCCCC/C=C/CCCCCCCC1=[NH+]CCN1CCN ZINC000100049457 257914328 /nfs/dbraw/zinc/91/43/28/257914328.db2.gz DLIZJCBWTRNYKF-MDZDMXLPSA-N 1 0 349.607 5.697 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)[C@@H](CC)c1ccccc1 ZINC000100050251 717142426 /nfs/dbraw/zinc/14/24/26/717142426.db2.gz BFPCAQNVHZFIRE-QHCPKHFHSA-N 1 0 332.596 7.135 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)[C@H](CC)c1ccccc1 ZINC000100050253 717142210 /nfs/dbraw/zinc/14/22/10/717142210.db2.gz BFPCAQNVHZFIRE-HSZRJFAPSA-N 1 0 332.596 7.135 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)[C@H](C)[C@H](O)c1ccccc1 ZINC000100072512 717142269 /nfs/dbraw/zinc/14/22/69/717142269.db2.gz IIMGMWFZVNJXQG-GGAORHGYSA-N 1 0 348.595 6.106 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000100072514 717142388 /nfs/dbraw/zinc/14/23/88/717142388.db2.gz IIMGMWFZVNJXQG-JTHBVZDNSA-N 1 0 348.595 6.106 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)[C@H](C)[C@@H](O)c1ccccc1 ZINC000100072516 717142257 /nfs/dbraw/zinc/14/22/57/717142257.db2.gz IIMGMWFZVNJXQG-FYYLOGMGSA-N 1 0 348.595 6.106 10 30 EKEERO CCCCCCCCCCCCCCCCCC(=O)NCC[NH3+] ZINC000100073325 219091023 /nfs/dbraw/zinc/09/10/23/219091023.db2.gz FZEIBCVEQZOUQH-UHFFFAOYSA-N 1 0 326.569 5.323 10 30 EKEERO CCCCCCCCCCCC[C@@](C)(c1ccccc1)[N+](C)(C)C ZINC000100115486 219091944 /nfs/dbraw/zinc/09/19/44/219091944.db2.gz OXRLDDBYIWCNPB-QHCPKHFHSA-N 1 0 332.596 6.919 10 30 EKEERO CCCCCCCCCCCC[C@](C)(c1ccccc1)[N+](C)(C)C ZINC000100115489 219091888 /nfs/dbraw/zinc/09/18/88/219091888.db2.gz OXRLDDBYIWCNPB-HSZRJFAPSA-N 1 0 332.596 6.919 10 30 EKEERO CCCCC[C@]1(OCCCC)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000100292021 219096222 /nfs/dbraw/zinc/09/62/22/219096222.db2.gz JJJFQWXXDMPENV-PJJVEECESA-N 1 0 325.496 6.085 10 30 EKEERO CCCCCCCCCCOC[N+](C)(C)CCCCCCCC ZINC000100312194 717142947 /nfs/dbraw/zinc/14/29/47/717142947.db2.gz PHCULDKKNGSNJS-UHFFFAOYSA-N 1 0 328.605 6.538 10 30 EKEERO CCOC1=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C=CC1=O ZINC000100486109 219100343 /nfs/dbraw/zinc/10/03/43/219100343.db2.gz DWZCACYMFACXDV-CYXJGXPHSA-N 1 0 345.402 5.957 10 30 EKEERO CCOC1=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C=CC1=O ZINC000100486112 219100318 /nfs/dbraw/zinc/10/03/18/219100318.db2.gz DWZCACYMFACXDV-NMWHAAFCSA-N 1 0 345.402 5.957 10 30 EKEERO COC1=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C=CC1=O ZINC000100486488 203995567 /nfs/dbraw/zinc/99/55/67/203995567.db2.gz BVGWANRPCGIVDO-BZROTZBESA-N 1 0 331.375 5.567 10 30 EKEERO COC1=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C=CC1=O ZINC000100486490 219100390 /nfs/dbraw/zinc/10/03/90/219100390.db2.gz BVGWANRPCGIVDO-FCVKRGBPSA-N 1 0 331.375 5.567 10 30 EKEERO COC1=CC=CC(=C[NH+]=C2C=CC(=NNc3ccccc3)C=C2)C1=O ZINC000100486513 219100493 /nfs/dbraw/zinc/10/04/93/219100493.db2.gz QLUJDEUAQKRBHR-BZROTZBESA-N 1 0 331.375 5.567 10 30 EKEERO O=C1C=CC([N+](=O)[O-])=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1 ZINC000100490644 219100195 /nfs/dbraw/zinc/10/01/95/219100195.db2.gz RJMFWDDINGWTSG-JQYOOHNSSA-N 1 0 346.346 5.466 10 30 EKEERO O=C1C=CC([N+](=O)[O-])=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1 ZINC000100490647 219100407 /nfs/dbraw/zinc/10/04/07/219100407.db2.gz RJMFWDDINGWTSG-AUOXKNKGSA-N 1 0 346.346 5.466 10 30 EKEERO CCCCCCCCC[NH+](CCS)CCCCCCCCC ZINC000100753753 219105489 /nfs/dbraw/zinc/10/54/89/219105489.db2.gz AMGTWFLDYOEJCC-UHFFFAOYSA-N 1 0 329.638 6.719 10 30 EKEERO CCCCCCC[C@@H]([NH2+]C)c1ccc(OC)cc1Br ZINC000102941236 219242459 /nfs/dbraw/zinc/24/24/59/219242459.db2.gz QHAOPIYESURPLY-MRXNPFEDSA-N 1 0 328.294 5.079 10 30 EKEERO CC(C)(C)/[NH+]=C\N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000102942644 204056802 /nfs/dbraw/zinc/05/68/02/204056802.db2.gz YPQCXKVDLZKFSM-MOHJPFBDSA-N 1 0 334.507 5.357 10 30 EKEERO CCCCCCCC[NH+](CCCCCCCC)Cc1ccccc1 ZINC000103009733 219247638 /nfs/dbraw/zinc/24/76/38/219247638.db2.gz FXMGLWYTXDUDLS-UHFFFAOYSA-N 1 0 331.588 7.210 10 30 EKEERO C=CCc1cc(C[NH2+]CCCCCCCC)cc(OC)c1OCC ZINC000103593507 219315588 /nfs/dbraw/zinc/31/55/88/219315588.db2.gz HEDCFIJXSAWOMF-UHFFFAOYSA-N 1 0 333.516 5.273 10 30 EKEERO CCCCCCCCCCCCCCCCCC(=O)NC(N)=[NH2+] ZINC000103600373 219315858 /nfs/dbraw/zinc/31/58/58/219315858.db2.gz WFUQYEXDJIJMAA-UHFFFAOYSA-N 1 0 325.541 5.258 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)[C@H](C)C(=O)c1ccccc1 ZINC000103665806 717146939 /nfs/dbraw/zinc/14/69/39/717146939.db2.gz ZAVUNLZUHRJJNW-OAQYLSRUSA-N 1 0 346.579 6.255 10 30 EKEERO CCCCCCC[C@]1(OCC)C=CC(/[NH+]=C\c2ccccc2)=CC1 ZINC000103706094 219319488 /nfs/dbraw/zinc/31/94/88/219319488.db2.gz KFBNVXPALZXHFT-PJJVEECESA-N 1 0 325.496 6.085 10 30 EKEERO CCCCCCCCCCCCCCCC[NH2+]C[C@@H](C)C(N)=O ZINC000103782742 219325191 /nfs/dbraw/zinc/32/51/91/219325191.db2.gz ZSLOZKLDVWTSIA-LJQANCHMSA-N 1 0 326.569 5.179 10 30 EKEERO CCCCCCCCCCCCCCCC[NH2+]C[C@H](C)C(N)=O ZINC000103782745 204086680 /nfs/dbraw/zinc/08/66/80/204086680.db2.gz ZSLOZKLDVWTSIA-IBGZPJMESA-N 1 0 326.569 5.179 10 30 EKEERO CCCCCCCCCCCCCCCC[NH2+]C[C@@H](CC)C(N)=O ZINC000103782762 204086129 /nfs/dbraw/zinc/08/61/29/204086129.db2.gz HUILEKDPVMREBQ-HXUWFJFHSA-N 1 0 340.596 5.569 10 30 EKEERO CCCCCCCCCCCCCCCC[NH2+]C[C@H](CC)C(N)=O ZINC000103782766 219324747 /nfs/dbraw/zinc/32/47/47/219324747.db2.gz HUILEKDPVMREBQ-FQEVSTJZSA-N 1 0 340.596 5.569 10 30 EKEERO CCCCCCCC[PH+](CCCCCCCC)C1CCCCC1 ZINC000103833047 219326197 /nfs/dbraw/zinc/32/61/97/219326197.db2.gz WADVNZNSZFGMMN-UHFFFAOYSA-N 1 0 340.576 8.522 10 30 EKEERO C=CC[C@H]([NH2+]CCC)c1ccc(Br)cc1C(F)(F)F ZINC000103942210 219331348 /nfs/dbraw/zinc/33/13/48/219331348.db2.gz ZRIAMMOWCGLOIO-ZDUSSCGKSA-N 1 0 336.195 5.085 10 30 EKEERO C=CC[C@@H]([NH2+]CCC)c1ccc(Br)cc1C(F)(F)F ZINC000103942214 219331557 /nfs/dbraw/zinc/33/15/57/219331557.db2.gz ZRIAMMOWCGLOIO-CYBMUJFWSA-N 1 0 336.195 5.085 10 30 EKEERO CCCCCCC[C@H]([NH2+]CCC)c1ccc(Br)s1 ZINC000103996685 219337481 /nfs/dbraw/zinc/33/74/81/219337481.db2.gz NIBBSHXDTNTAMA-ZDUSSCGKSA-N 1 0 332.351 5.912 10 30 EKEERO CCCCCCC[C@@H]([NH2+]CCC)c1ccc(Br)s1 ZINC000103996687 219337174 /nfs/dbraw/zinc/33/71/74/219337174.db2.gz NIBBSHXDTNTAMA-CYBMUJFWSA-N 1 0 332.351 5.912 10 30 EKEERO CCCCCCCCOc1ccc([C@H](C)[NH3+])cc1Br ZINC000104172384 219354617 /nfs/dbraw/zinc/35/46/17/219354617.db2.gz DZCWCDLLFAKIDL-ZDUSSCGKSA-N 1 0 328.294 5.208 10 30 EKEERO CCCCCCCCC[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000109705833 219982489 /nfs/dbraw/zinc/98/24/89/219982489.db2.gz USTKUSCDARGLBF-QGZVFWFLSA-N 1 0 326.322 5.764 10 30 EKEERO CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl ZINC000111390053 717148290 /nfs/dbraw/zinc/14/82/90/717148290.db2.gz MPFGBTBBXXRJCD-UHFFFAOYSA-N 1 0 333.323 5.767 10 30 EKEERO CCCCCCCCCCCCCC[N+](C)(C)[C@@H](C)c1ccccc1 ZINC000111454368 717148618 /nfs/dbraw/zinc/14/86/18/717148618.db2.gz WBKIUMDYEQHIPQ-QHCPKHFHSA-N 1 0 346.623 7.525 10 30 EKEERO CCCCCCCC[N+](C)(CCCCCCCC)Cc1ccccc1 ZINC000111863970 717148626 /nfs/dbraw/zinc/14/86/26/717148626.db2.gz GYLOAECYLJGUMM-UHFFFAOYSA-N 1 0 346.623 7.354 10 30 EKEERO CCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1 ZINC000111864123 717148649 /nfs/dbraw/zinc/14/86/49/717148649.db2.gz RUCNOJUDUJFCBD-UHFFFAOYSA-N 1 0 346.623 7.354 10 30 EKEERO CCCCCCCCCCCCc1ccc(C[N+](C)(C)CCO)cc1 ZINC000111895777 717148702 /nfs/dbraw/zinc/14/87/02/717148702.db2.gz DCHSIOHSTYBWHA-UHFFFAOYSA-N 1 0 348.595 5.719 10 30 EKEERO C=C(C)C(=O)NCCC[N+](C)(C)CCCCCCCCCCCC ZINC000113495617 717149578 /nfs/dbraw/zinc/14/95/78/717149578.db2.gz NEURGJZJDGOFSJ-UHFFFAOYSA-O 1 0 339.588 5.066 10 30 EKEERO CCCCCCCCCCCCC[C@@H](c1ccccc1)[N+](C)(C)C ZINC000114364394 717149703 /nfs/dbraw/zinc/14/97/03/717149703.db2.gz DYWJDHAGWCLRER-QHCPKHFHSA-N 1 0 332.596 7.135 10 30 EKEERO CCCCCCCCCCCCC[C@H](c1ccccc1)[N+](C)(C)C ZINC000114364396 717149587 /nfs/dbraw/zinc/14/95/87/717149587.db2.gz DYWJDHAGWCLRER-HSZRJFAPSA-N 1 0 332.596 7.135 10 30 EKEERO C=Cc1ccc(C[N+](C)(C)CCCCCCCCCCCC)cc1 ZINC000114412364 717149603 /nfs/dbraw/zinc/14/96/03/717149603.db2.gz SXDSTRMQTDDQJE-UHFFFAOYSA-N 1 0 330.580 6.827 10 30 EKEERO CCCCCCCCCCCC[N+](CC)(CC)Cc1ccccc1 ZINC000115287344 717149601 /nfs/dbraw/zinc/14/96/01/717149601.db2.gz ABTPXCYMQJLEKE-UHFFFAOYSA-N 1 0 332.596 6.964 10 30 EKEERO C=CC[N+](C)(C)CCCCCCCCCCCCCCCCCC ZINC000115674987 717149725 /nfs/dbraw/zinc/14/97/25/717149725.db2.gz VJQXGLURRBPAJH-UHFFFAOYSA-N 1 0 338.644 7.510 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)CCCCCCCCC ZINC000118808840 717150232 /nfs/dbraw/zinc/15/02/32/717150232.db2.gz GANLNQDYYUZXTF-UHFFFAOYSA-N 1 0 340.660 7.734 10 30 EKEERO CCCC[N+](CCCC)(CCCC)CC(=O)c1cc2ccccc2o1 ZINC000136828101 717150773 /nfs/dbraw/zinc/15/07/73/717150773.db2.gz NVJDZWHHVCDOHH-UHFFFAOYSA-N 1 0 344.519 5.833 10 30 EKEERO CCCCCCCCC[N+](C)(C)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000137256564 717151401 /nfs/dbraw/zinc/15/14/01/717151401.db2.gz VFYUVMGJOFRPRT-UHFFFAOYSA-N 1 0 326.569 5.181 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)CC(=O)c1ccccc1 ZINC000137306977 717151436 /nfs/dbraw/zinc/15/14/36/717151436.db2.gz WZYFNJQHCZKMIL-UHFFFAOYSA-N 1 0 332.552 5.867 10 30 EKEERO CCCCCCCCCCCC(=O)O[C@@H](C)[N+](CC)(CC)CC ZINC000139422904 717151889 /nfs/dbraw/zinc/15/18/89/717151889.db2.gz OWMXERWGICMHQD-IBGZPJMESA-N 1 0 328.561 5.673 10 30 EKEERO CCCCCCCCCCCC(=O)O[C@H](C)[N+](CC)(CC)CC ZINC000139423029 717151808 /nfs/dbraw/zinc/15/18/08/717151808.db2.gz OWMXERWGICMHQD-LJQANCHMSA-N 1 0 328.561 5.673 10 30 EKEERO CCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H](C)O ZINC000139792552 717151738 /nfs/dbraw/zinc/15/17/38/717151738.db2.gz RTCOJGFBQMDFKO-OAQYLSRUSA-N 1 0 328.605 5.925 10 30 EKEERO CCCCCCCCCCCCCCCC[N+](C)(C)C[C@H](C)O ZINC000139792690 717151884 /nfs/dbraw/zinc/15/18/84/717151884.db2.gz RTCOJGFBQMDFKO-NRFANRHFSA-N 1 0 328.605 5.925 10 30 EKEERO CCCCCCCCCCCC[N+](C)(C)Cc1cc(C)c(C)cc1C ZINC000140755267 717151824 /nfs/dbraw/zinc/15/18/24/717151824.db2.gz NZVVECSIMPDROJ-UHFFFAOYSA-N 1 0 346.623 7.109 10 30 EKEERO CCCCCC/C=C\CCCCCCCC(=O)OCC[N+](C)(C)C ZINC000141426136 717152340 /nfs/dbraw/zinc/15/23/40/717152340.db2.gz KZSMYKYPFGHWQV-KHPPLWFESA-N 1 0 340.572 5.493 10 30 EKEERO CCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1 ZINC000169337893 717155776 /nfs/dbraw/zinc/15/57/76/717155776.db2.gz JNGRAKVXDOYPGA-UHFFFAOYSA-N 1 0 345.378 6.711 10 30 EKEERO CCCCCCCCCCCCCCC[N+]1(CC)CCOCC1 ZINC000204881332 717159444 /nfs/dbraw/zinc/15/94/44/717159444.db2.gz JZFGVSPKARFBFH-UHFFFAOYSA-N 1 0 326.589 5.945 10 30 EKEERO CCCCCCCCCCCCCCCC[N+](C)(C)C[C@H](O)CC ZINC000205073247 717159317 /nfs/dbraw/zinc/15/93/17/717159317.db2.gz SCPDJYPLQUYFTI-JOCHJYFZSA-N 1 0 342.632 6.315 10 30 EKEERO CCCCCCCCCCCCCCCC[N+](C)(C)C[C@@H](O)CC ZINC000205073262 717159259 /nfs/dbraw/zinc/15/92/59/717159259.db2.gz SCPDJYPLQUYFTI-QFIPXVFZSA-N 1 0 342.632 6.315 10 30 EKEERO CCCCCCCCCCCCCCCCC(=O)OC[N+](C)(C)C ZINC000205111696 717159397 /nfs/dbraw/zinc/15/93/97/717159397.db2.gz IHXLBHQDXLTPEL-UHFFFAOYSA-N 1 0 342.588 6.065 10 30 EKEERO CCCCCCCCCCCC[C@H](O)C[N+](C)(C)c1ccccc1 ZINC000205166345 717159501 /nfs/dbraw/zinc/15/95/01/717159501.db2.gz XSPQFMOZOUPRSU-QFIPXVFZSA-N 1 0 334.568 5.925 10 30 EKEERO CCCCCCCCCCCC[C@@H](O)C[N+](C)(C)c1ccccc1 ZINC000205166359 717159278 /nfs/dbraw/zinc/15/92/78/717159278.db2.gz XSPQFMOZOUPRSU-JOCHJYFZSA-N 1 0 334.568 5.925 10 30 EKEERO CCCCCCC[C@@H](CCCCC)C[N+](C)(C)Cc1ccccc1 ZINC000205184841 717159384 /nfs/dbraw/zinc/15/93/84/717159384.db2.gz LVLLUSINFGPSLT-JOCHJYFZSA-N 1 0 332.596 6.820 10 30 EKEERO CCCCCCC[C@H](CCCCC)C[N+](C)(C)Cc1ccccc1 ZINC000205184853 717159895 /nfs/dbraw/zinc/15/98/95/717159895.db2.gz LVLLUSINFGPSLT-QFIPXVFZSA-N 1 0 332.596 6.820 10 30 EKEERO CCCCCCCCCCCC(=O)C[C@H](O)C[N+](CC)(CC)CC ZINC000205219364 717159675 /nfs/dbraw/zinc/15/96/75/717159675.db2.gz HXMYVMOOJHQOPV-NRFANRHFSA-N 1 0 342.588 5.104 10 30 EKEERO CCCCCCCCCCCC(=O)C[C@@H](O)C[N+](CC)(CC)CC ZINC000205219381 717159889 /nfs/dbraw/zinc/15/98/89/717159889.db2.gz HXMYVMOOJHQOPV-OAQYLSRUSA-N 1 0 342.588 5.104 10 30 EKEERO CCCCCCCCCCCCOC[C@H](O)C[N+](CC)(CC)CC ZINC000205394797 717159775 /nfs/dbraw/zinc/15/97/75/717159775.db2.gz BKWDNJLUMKPXHV-OAQYLSRUSA-N 1 0 344.604 5.161 10 30 EKEERO CCCCCCCCCCCCOC[C@@H](O)C[N+](CC)(CC)CC ZINC000205394810 717159942 /nfs/dbraw/zinc/15/99/42/717159942.db2.gz BKWDNJLUMKPXHV-NRFANRHFSA-N 1 0 344.604 5.161 10 30 EKEERO CCCCCCCCCCCCCCCCCCOC[N+](C)(C)C ZINC000205616233 717160162 /nfs/dbraw/zinc/16/01/62/717160162.db2.gz XQMLJLZBUGUYBP-UHFFFAOYSA-N 1 0 342.632 6.928 10 30 EKEERO CCCCCCCCCCCCC[N+](C)(C)CCC[Si](C)(C)C ZINC000207553296 717160743 /nfs/dbraw/zinc/16/07/43/717160743.db2.gz HOEDPXQCTWGMED-UHFFFAOYSA-N 1 0 342.708 7.102 10 30 EKEERO