smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404147 388995981 /nfs/dbraw/zinc/99/59/81/388995981.db2.gz DLSYKIUVRVAZHK-CQSZACIVSA-N 1 3 261.369 0.926 40 0 CCABHO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404147 388995983 /nfs/dbraw/zinc/99/59/83/388995983.db2.gz DLSYKIUVRVAZHK-CQSZACIVSA-N 1 3 261.369 0.926 40 0 CCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[N@H+](C)C2CC2)C1 ZINC000079419638 388997311 /nfs/dbraw/zinc/99/73/11/388997311.db2.gz XFCOQOZEZDEKSP-AAEUAGOBSA-N 1 3 253.390 0.912 40 0 CCABHO CC(C)[C@H](N)C(=O)N1CC[C@@H](C[N@@H+](C)C2CC2)C1 ZINC000079419638 388997312 /nfs/dbraw/zinc/99/73/12/388997312.db2.gz XFCOQOZEZDEKSP-AAEUAGOBSA-N 1 3 253.390 0.912 40 0 CCABHO CN1CC[C@](O)(c2ccccc2)[C@@H](C2(O)CC[NH2+]CC2)C1 ZINC000409444119 283165250 /nfs/dbraw/zinc/16/52/50/283165250.db2.gz IJTAYSRETIZKPK-WBVHZDCISA-N 1 3 290.407 0.940 40 0 CCABHO CCOC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000022015100 171349176 /nfs/dbraw/zinc/34/91/76/171349176.db2.gz UOHHGBLEJSKYTM-UHFFFAOYSA-N 1 3 269.389 0.167 40 0 CCABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[N@H+](C)C2CC2)C1 ZINC000079419634 388997238 /nfs/dbraw/zinc/99/72/38/388997238.db2.gz XFCOQOZEZDEKSP-YPMHNXCESA-N 1 3 253.390 0.912 40 0 CCABHO CC(C)[C@H](N)C(=O)N1CC[C@H](C[N@@H+](C)C2CC2)C1 ZINC000079419634 388997242 /nfs/dbraw/zinc/99/72/42/388997242.db2.gz XFCOQOZEZDEKSP-YPMHNXCESA-N 1 3 253.390 0.912 40 0 CCABHO CN1CC[C@@](O)(c2ccccc2)[C@@H](C2(O)CC[NH2+]CC2)C1 ZINC000409444118 397524423 /nfs/dbraw/zinc/52/44/23/397524423.db2.gz IJTAYSRETIZKPK-NVXWUHKLSA-N 1 3 290.407 0.940 40 0 CCABHO CN(C)C[C@@H]1CC2(C[C@@H](C[NH+](C)C)C1=O)OCCO2 ZINC000001717644 347961588 /nfs/dbraw/zinc/96/15/88/347961588.db2.gz HUKZKSRXCLONOL-RYUDHWBXSA-N 1 3 270.373 0.448 40 0 CCABHO CC[C@H](CNS(C)(=O)=O)N[C@H]1CC[NH2+]CC[C@@H]1C ZINC000331843878 204225459 /nfs/dbraw/zinc/22/54/59/204225459.db2.gz GXBDBNMZBRFNSX-TUAOUCFPSA-N 1 3 277.434 0.292 40 0 CCABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000079407724 388995855 /nfs/dbraw/zinc/99/58/55/388995855.db2.gz IVJZOOBQUCMUAU-YPMHNXCESA-N 1 3 253.390 0.912 40 0 CCABHO CC(C)[C@H](N)C(=O)N(C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000079407724 388995857 /nfs/dbraw/zinc/99/58/57/388995857.db2.gz IVJZOOBQUCMUAU-YPMHNXCESA-N 1 3 253.390 0.912 40 0 CCABHO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404143 177478188 /nfs/dbraw/zinc/47/81/88/177478188.db2.gz DLSYKIUVRVAZHK-AWEZNQCLSA-N 1 3 261.369 0.926 40 0 CCABHO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CN ZINC000079404143 177478190 /nfs/dbraw/zinc/47/81/90/177478190.db2.gz DLSYKIUVRVAZHK-AWEZNQCLSA-N 1 3 261.369 0.926 40 0 CCABHO Cn1ncc(CN)c1COCC[NH+]1CCCCC1 ZINC000408716168 389375913 /nfs/dbraw/zinc/37/59/13/389375913.db2.gz JOJKICCVEQDPDZ-UHFFFAOYSA-N 1 3 252.362 0.881 40 0 CCABHO CN1CCCN2CCN(CC2)CCC[N@H+](C)CC1 ZINC000039318772 348228807 /nfs/dbraw/zinc/22/88/07/348228807.db2.gz QMRWQYZNYCDEBG-UHFFFAOYSA-N 1 3 254.422 0.261 40 0 CCABHO CN1CCCN2CCN(CC2)CCC[N@@H+](C)CC1 ZINC000039318772 348228814 /nfs/dbraw/zinc/22/88/14/348228814.db2.gz QMRWQYZNYCDEBG-UHFFFAOYSA-N 1 3 254.422 0.261 40 0 CCABHO O=Cc1ccc2c(c1)OCC[NH2+]CCOCCNCCO2 ZINC000584905809 359245096 /nfs/dbraw/zinc/24/50/96/359245096.db2.gz CCVOLUDTWQCXKV-UHFFFAOYSA-N 1 3 294.351 0.466 40 0 CCABHO O=Cc1ccc2c(c1)OCCNCCOCC[NH2+]CCO2 ZINC000584905809 359245102 /nfs/dbraw/zinc/24/51/02/359245102.db2.gz CCVOLUDTWQCXKV-UHFFFAOYSA-N 1 3 294.351 0.466 40 0 CCABHO CC[C@H](CNS(C)(=O)=O)N[C@@H]1CC[NH2+]CC[C@H]1C ZINC000331843870 204224450 /nfs/dbraw/zinc/22/44/50/204224450.db2.gz GXBDBNMZBRFNSX-IJLUTSLNSA-N 1 3 277.434 0.292 40 0 CCABHO NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404120 388995941 /nfs/dbraw/zinc/99/59/41/388995941.db2.gz MVJJMNYHHRPZDE-AWEZNQCLSA-N 1 3 261.369 0.974 40 0 CCABHO NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404120 388995943 /nfs/dbraw/zinc/99/59/43/388995943.db2.gz MVJJMNYHHRPZDE-AWEZNQCLSA-N 1 3 261.369 0.974 40 0 CCABHO CN1[Si](C)N(C)[Si](C)[NH+](C)[Si](C)N(C)[Si]1C ZINC000195816383 567945373 /nfs/dbraw/zinc/94/53/73/567945373.db2.gz JDYIHBJBOWFKFW-UHFFFAOYSA-N 1 3 288.652 0.199 40 0 CCABHO CN(C)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1O ZINC000257286241 190026680 /nfs/dbraw/zinc/02/66/80/190026680.db2.gz PKVXFJKKJRWXOZ-HUUCEWRRSA-N 1 3 291.395 0.495 40 0 CCABHO C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404355 388996313 /nfs/dbraw/zinc/99/63/13/388996313.db2.gz HMLKGIKFZLVCOL-JSGCOSHPSA-N 1 3 261.369 0.972 40 0 CCABHO C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404355 388996316 /nfs/dbraw/zinc/99/63/16/388996316.db2.gz HMLKGIKFZLVCOL-JSGCOSHPSA-N 1 3 261.369 0.972 40 0 CCABHO CCN(CC)CCNc1n[n+](=O)c2ccccc2n1O ZINC000104121800 349708508 /nfs/dbraw/zinc/70/85/08/349708508.db2.gz NARXWUUSYNNGFR-UHFFFAOYSA-N 1 3 278.336 0.470 40 0 CCABHO CN1CCc2[nH]nc(-c3n[nH]c4c3C[N@H+](C)CC4)c2C1 ZINC000031772089 283171294 /nfs/dbraw/zinc/17/12/94/283171294.db2.gz UOZUPRXCVLGPLN-UHFFFAOYSA-N 1 3 272.356 0.776 40 0 in-vitro CCABHO CN1CCc2[nH]nc(-c3n[nH]c4c3C[N@@H+](C)CC4)c2C1 ZINC000031772089 283171298 /nfs/dbraw/zinc/17/12/98/283171298.db2.gz UOZUPRXCVLGPLN-UHFFFAOYSA-N 1 3 272.356 0.776 40 0 in-vitro CCABHO NCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079404116 388995835 /nfs/dbraw/zinc/99/58/35/388995835.db2.gz MVJJMNYHHRPZDE-CQSZACIVSA-N 1 3 261.369 0.974 40 0 CCABHO NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079404116 388995837 /nfs/dbraw/zinc/99/58/37/388995837.db2.gz MVJJMNYHHRPZDE-CQSZACIVSA-N 1 3 261.369 0.974 40 0 CCABHO CN(C)c1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000017040306 348052883 /nfs/dbraw/zinc/05/28/83/348052883.db2.gz KSAUAMZGQWQPHW-UHFFFAOYSA-N 1 3 260.345 0.938 40 0 CCABHO CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585290576 359262107 /nfs/dbraw/zinc/26/21/07/359262107.db2.gz YNOCFJXSYSFCJR-QGDIRPMESA-N 1 3 295.427 0.598 40 0 CCABHO CN1CC[C@@](O)(c2ccccc2)[C@H](C2(O)CC[NH2+]CC2)C1 ZINC000104840349 389084781 /nfs/dbraw/zinc/08/47/81/389084781.db2.gz IJTAYSRETIZKPK-DOTOQJQBSA-N 1 3 290.407 0.940 40 0 CCABHO C[C@H](N)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079404365 388996233 /nfs/dbraw/zinc/99/62/33/388996233.db2.gz HMLKGIKFZLVCOL-GXTWGEPZSA-N 1 3 261.369 0.972 40 0 CCABHO C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079404365 388996236 /nfs/dbraw/zinc/99/62/36/388996236.db2.gz HMLKGIKFZLVCOL-GXTWGEPZSA-N 1 3 261.369 0.972 40 0 CCABHO CC1(C)C[C@@H]2CN(C(=O)[C@H](N)CCCC[NH3+])CC[C@@H]2O1 ZINC000585286479 359260861 /nfs/dbraw/zinc/26/08/61/359260861.db2.gz YQEWOUPFEMWATQ-UPJWGTAASA-N 1 3 283.416 0.859 40 0 CCABHO CN(C)C/C=C/C(=O)N[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585290025 359261433 /nfs/dbraw/zinc/26/14/33/359261433.db2.gz PYMIZLASYXUINN-YSKMUTQESA-N 1 3 281.400 0.208 40 0 CCABHO [NH2+]=C1NC(N2CCCCC2)=N[C@@]2(N1)c1ccccc1NC2=O ZINC000019330888 388792192 /nfs/dbraw/zinc/79/21/92/388792192.db2.gz OWEZPHZWKBVRCY-HNNXBMFYSA-N 1 3 298.350 0.551 40 0 CCABHO CN(C)C[C@H]1CC2(C[C@H](C[NH+](C)C)C1=O)OCCO2 ZINC000004962009 282133512 /nfs/dbraw/zinc/13/35/12/282133512.db2.gz HUKZKSRXCLONOL-VXGBXAGGSA-N 1 3 270.373 0.448 40 0 CCABHO CC1(C)C[C@@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])CC[C@@H]2O1 ZINC000585286988 359260607 /nfs/dbraw/zinc/26/06/07/359260607.db2.gz YQEWOUPFEMWATQ-AGIUHOORSA-N 1 3 283.416 0.859 40 0 CCABHO CCN(CC)C[C@@H]1OC[C@@H]([NH2+]C2CCCC2)[C@H]1O ZINC000514288889 390466105 /nfs/dbraw/zinc/46/61/05/390466105.db2.gz LAPGNLHGNJDNMQ-HZSPNIEDSA-N 1 3 256.390 0.989 40 0 biogenic,in-vitro CCABHO O=C(C1CC[NH+](C2CCNCC2)CC1)N1CCOCC1 ZINC000040428027 174258692 /nfs/dbraw/zinc/25/86/92/174258692.db2.gz WDRCEKCBFAZFGX-UHFFFAOYSA-N 1 3 281.400 0.309 40 0 CCABHO CN1CCC2(C[N@H+](CC3CC3)C[C@@]23CCNC3=O)CC1 ZINC000096080179 185091084 /nfs/dbraw/zinc/09/10/84/185091084.db2.gz JGSPIQUSCLQKED-MRXNPFEDSA-N 1 3 277.412 0.930 40 0 CCABHO CN1CCC2(C[N@@H+](CC3CC3)C[C@@]23CCNC3=O)CC1 ZINC000096080179 185091085 /nfs/dbraw/zinc/09/10/85/185091085.db2.gz JGSPIQUSCLQKED-MRXNPFEDSA-N 1 3 277.412 0.930 40 0 CCABHO C[NH+](C)CCNC(=O)C1CCN(Cc2ccccn2)CC1 ZINC000171656361 350925230 /nfs/dbraw/zinc/92/52/30/350925230.db2.gz WPZLRWBQWOTDEY-UHFFFAOYSA-N 1 3 290.411 0.971 40 0 CCABHO CN(C)CCNC(=O)c1ccccc1-n1cc(C[NH3+])cn1 ZINC000257201699 190010881 /nfs/dbraw/zinc/01/08/81/190010881.db2.gz AIPXOFCCFFFZRC-UHFFFAOYSA-N 1 3 287.367 0.622 40 0 CCABHO CN1CCCC[C@@]1(C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000257329035 289223490 /nfs/dbraw/zinc/22/34/90/289223490.db2.gz XICQKKIWHGZFEN-LSDHHAIUSA-N 1 3 283.416 0.386 40 0 CCABHO CN1CCCC[C@]1(C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000257329032 282130619 /nfs/dbraw/zinc/13/06/19/282130619.db2.gz XICQKKIWHGZFEN-CABCVRRESA-N 1 3 283.416 0.386 40 0 CCABHO C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079415171 388995897 /nfs/dbraw/zinc/99/58/97/388995897.db2.gz TWFWCBXXWVZHKB-AWEZNQCLSA-N 1 3 261.369 0.926 40 0 CCABHO C[N@H+](Cc1ccccc1)C[C@@H]1CCN(C(=O)CN)C1 ZINC000079415171 388995900 /nfs/dbraw/zinc/99/59/00/388995900.db2.gz TWFWCBXXWVZHKB-AWEZNQCLSA-N 1 3 261.369 0.926 40 0 CCABHO C[N@@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN)C1 ZINC000079415174 388996021 /nfs/dbraw/zinc/99/60/21/388996021.db2.gz TWFWCBXXWVZHKB-CQSZACIVSA-N 1 3 261.369 0.926 40 0 CCABHO C[N@H+](Cc1ccccc1)C[C@H]1CCN(C(=O)CN)C1 ZINC000079415174 388996023 /nfs/dbraw/zinc/99/60/23/388996023.db2.gz TWFWCBXXWVZHKB-CQSZACIVSA-N 1 3 261.369 0.926 40 0 CCABHO [NH3+][C@@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC000306137861 279680390 /nfs/dbraw/zinc/68/03/90/279680390.db2.gz RIMMTULTJWUTEG-CYBMUJFWSA-N 1 3 261.369 0.760 40 0 CCABHO CN1CCC2(C[N@H+](CC3CC3)C[C@]23CCNC3=O)CC1 ZINC000096080180 185090518 /nfs/dbraw/zinc/09/05/18/185090518.db2.gz JGSPIQUSCLQKED-INIZCTEOSA-N 1 3 277.412 0.930 40 0 CCABHO CN1CCC2(C[N@@H+](CC3CC3)C[C@]23CCNC3=O)CC1 ZINC000096080180 185090520 /nfs/dbraw/zinc/09/05/20/185090520.db2.gz JGSPIQUSCLQKED-INIZCTEOSA-N 1 3 277.412 0.930 40 0 CCABHO CC[C@H](CNS(C)(=O)=O)N[C@H]1CC[NH2+]CC[C@H]1C ZINC000331843883 287863894 /nfs/dbraw/zinc/86/38/94/287863894.db2.gz GXBDBNMZBRFNSX-UTUOFQBUSA-N 1 3 277.434 0.292 40 0 CCABHO CN1CCCC[C@@]1(C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC000257329033 282130862 /nfs/dbraw/zinc/13/08/62/282130862.db2.gz XICQKKIWHGZFEN-GJZGRUSLSA-N 1 3 283.416 0.386 40 0 CCABHO CC[C@H](CNS(C)(=O)=O)N[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000331843875 389314437 /nfs/dbraw/zinc/31/44/37/389314437.db2.gz GXBDBNMZBRFNSX-QJPTWQEYSA-N 1 3 277.434 0.292 40 0 CCABHO [NH2+]=C1NC(N2CCCCC2)=N[C@]2(N1)c1ccccc1NC2=O ZINC000019330884 388791927 /nfs/dbraw/zinc/79/19/27/388791927.db2.gz OWEZPHZWKBVRCY-OAHLLOKOSA-N 1 3 298.350 0.551 40 0 CCABHO C[NH+](C)CCOCc1nnn2c1CN(CC1CC1)CCC2 ZINC000096058835 185078812 /nfs/dbraw/zinc/07/88/12/185078812.db2.gz BHZAFUCUGJJWIY-UHFFFAOYSA-N 1 3 293.415 0.972 40 0 CCABHO C(C[NH+]1CCCC1)OCc1nnn2c1CNCCC2 ZINC000096258989 389057886 /nfs/dbraw/zinc/05/78/86/389057886.db2.gz VBPLTDQLONSXLJ-UHFFFAOYSA-N 1 3 265.361 0.384 40 0 CCABHO CN(C)C/C=C/C(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000585289659 359261835 /nfs/dbraw/zinc/26/18/35/359261835.db2.gz LPKXBQHWBZUNAI-UBTNOTLOSA-N 1 3 295.427 0.550 40 0 CCABHO NCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000079404125 388995953 /nfs/dbraw/zinc/99/59/53/388995953.db2.gz SRNZTJJGKJEUNF-UHFFFAOYSA-N 1 3 261.369 0.974 40 0 CCABHO COCC[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186302 389048289 /nfs/dbraw/zinc/04/82/89/389048289.db2.gz KHXZEQUDVDMPKG-GJZGRUSLSA-N 1 3 295.427 0.794 40 0 CCABHO COCC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096186302 389048291 /nfs/dbraw/zinc/04/82/91/389048291.db2.gz KHXZEQUDVDMPKG-GJZGRUSLSA-N 1 3 295.427 0.794 40 0 CCABHO CN(C)C[C@@H]1CC2(C[C@H](C[NH+](C)C)C1=O)OCCO2 ZINC000001717643 289209740 /nfs/dbraw/zinc/20/97/40/289209740.db2.gz HUKZKSRXCLONOL-TXEJJXNPSA-N 1 3 270.373 0.448 40 0 CCABHO CN(C)C[C@H]1CC2(C[C@@H](C[NH+](C)C)C1=O)OCCO2 ZINC000001717643 289209743 /nfs/dbraw/zinc/20/97/43/289209743.db2.gz HUKZKSRXCLONOL-TXEJJXNPSA-N 1 3 270.373 0.448 40 0 CCABHO C[NH+](C)C[C@@]1(O)CCN(C(=O)CN2CCCCCC2)C1 ZINC000257294594 282130957 /nfs/dbraw/zinc/13/09/57/282130957.db2.gz QUVJNWTYNFDBEV-HNNXBMFYSA-N 1 3 283.416 0.387 40 0 CCABHO CN1CCCC[C@]1(C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC000257329034 282144243 /nfs/dbraw/zinc/14/42/43/282144243.db2.gz XICQKKIWHGZFEN-HUUCEWRRSA-N 1 3 283.416 0.386 40 0 CCABHO C[NH+](C)C[C@]1(O)CCN(C(=O)CN2CCCCCC2)C1 ZINC000257294595 190028165 /nfs/dbraw/zinc/02/81/65/190028165.db2.gz QUVJNWTYNFDBEV-OAHLLOKOSA-N 1 3 283.416 0.387 40 0 CCABHO C[NH+](C)CCN1CCc2ncc(CN3CCCC3)n2CC1 ZINC000096100084 185097958 /nfs/dbraw/zinc/09/79/58/185097958.db2.gz RQHVRXBEMVBXLP-UHFFFAOYSA-N 1 3 291.443 0.899 40 0 CCABHO CCN(CC)C[C@@H]1OC[C@H]([NH2+]C2CCCC2)[C@H]1O ZINC000514288892 330463033 /nfs/dbraw/zinc/46/30/33/330463033.db2.gz LAPGNLHGNJDNMQ-MELADBBJSA-N 1 3 256.390 0.989 40 0 biogenic,in-vitro CCABHO CN1CC[C@](O)(c2ccccc2)[C@H](C2(O)CC[NH2+]CC2)C1 ZINC000104840344 389084772 /nfs/dbraw/zinc/08/47/72/389084772.db2.gz IJTAYSRETIZKPK-RDJZCZTQSA-N 1 3 290.407 0.940 40 0 CCABHO c1ncn(C[C@@H]2C[C@@H]3CNCC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC000306124048 354172765 /nfs/dbraw/zinc/17/27/65/354172765.db2.gz BEEASDCYHIOUQS-RDBSUJKOSA-N 1 3 261.373 0.741 40 0 CCABHO c1ncn(C[C@@H]2C[C@@H]3CNCC[C@@H]3[N@H+]2CC2CC2)n1 ZINC000306124048 354172767 /nfs/dbraw/zinc/17/27/67/354172767.db2.gz BEEASDCYHIOUQS-RDBSUJKOSA-N 1 3 261.373 0.741 40 0 CCABHO c1ncn(C[C@@H]2C[C@@H]3C[NH2+]CC[C@@H]3N2CC2CC2)n1 ZINC000306124048 354172769 /nfs/dbraw/zinc/17/27/69/354172769.db2.gz BEEASDCYHIOUQS-RDBSUJKOSA-N 1 3 261.373 0.741 40 0 CCABHO CN1CCC(CN2C(=O)CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000306124515 389090282 /nfs/dbraw/zinc/09/02/82/389090282.db2.gz BSJCYLDUMFZRMY-CHWSQXEVSA-N 1 3 251.374 0.681 40 0 CCABHO CCN1CCN([C@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC000020062114 279373354 /nfs/dbraw/zinc/37/33/54/279373354.db2.gz XEMRDGWIXULDQK-CYBMUJFWSA-N 1 3 253.390 0.535 40 0 CCABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000079407729 388996072 /nfs/dbraw/zinc/99/60/72/388996072.db2.gz IVJZOOBQUCMUAU-AAEUAGOBSA-N 1 3 253.390 0.912 40 0 CCABHO CC(C)[C@H](N)C(=O)N(C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000079407729 388996073 /nfs/dbraw/zinc/99/60/73/388996073.db2.gz IVJZOOBQUCMUAU-AAEUAGOBSA-N 1 3 253.390 0.912 40 0 CCABHO [NH3+][C@H]1CCc2c(ccc(=O)n2CCN2CCCC2)C1 ZINC000306137862 295341481 /nfs/dbraw/zinc/34/14/81/295341481.db2.gz RIMMTULTJWUTEG-ZDUSSCGKSA-N 1 3 261.369 0.760 40 0 CCABHO CCN1CCN([C@@H]2COC3(C2)CC[NH2+]CC3)CC1 ZINC000020062112 285334658 /nfs/dbraw/zinc/33/46/58/285334658.db2.gz XEMRDGWIXULDQK-ZDUSSCGKSA-N 1 3 253.390 0.535 40 0 CCABHO C[NH+](C)CCOCc1nnc2n1CCN(CC1CC1)CC2 ZINC000096058872 282109254 /nfs/dbraw/zinc/10/92/54/282109254.db2.gz ZUUAVLVJMBNPRP-UHFFFAOYSA-N 1 3 293.415 0.624 40 0 CCABHO CCS(=O)(=O)C1(CN2CCCC2)CC[NH2+]CC1 ZINC000217930674 351952517 /nfs/dbraw/zinc/95/25/17/351952517.db2.gz QQHSVBITKWUEAD-UHFFFAOYSA-N 1 3 260.403 0.639 40 0 CCABHO