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@@+]1(Cc2ccccc2Cl)CCc2sccc2C1 ZINC000247638630 717164373 /nfs/dbraw/zinc/16/43/73/717164373.db2.gz FSKOZAUZJCLQHZ-KRWDZBQOSA-N 1 0 278.828 4.104 10 5 CIBERO CCC(CC)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000104448191 186005632 /nfs/dbraw/zinc/00/56/32/186005632.db2.gz KMNFUFCNGMGTQD-JTQLQIEISA-N 1 0 284.787 4.163 10 5 CIBERO CCCC/C(=C\c1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000038273894 174138245 /nfs/dbraw/zinc/13/82/45/174138245.db2.gz VOGMWUXENLJHBT-VAWYXSNFSA-N 1 0 280.393 4.283 10 5 CIBERO CCC[C@H]([NH2+][C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020522517 262245341 /nfs/dbraw/zinc/24/53/41/262245341.db2.gz BQUQZKBPUKMTAU-DOMZBBRYSA-N 1 0 264.369 4.070 10 5 CIBERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526151 262246185 /nfs/dbraw/zinc/24/61/85/262246185.db2.gz OLGKKFOGKSMZJD-QWHCGFSZSA-N 1 0 264.369 4.070 10 5 CIBERO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295350 267137853 /nfs/dbraw/zinc/13/78/53/267137853.db2.gz GJLJEHKPJWLHRD-IUODEOHRSA-N 1 0 286.331 4.086 10 5 CIBERO Cc1ccc2[nH]c3c(c2c1)C[N+](C)(Cc1ccccc1)CC3 ZINC000003665091 717096934 /nfs/dbraw/zinc/09/69/34/717096934.db2.gz WEKBYODVGZLSKM-UHFFFAOYSA-N 1 0 291.418 4.179 10 5 CIBERO C[N+](C)(Cc1cccc2ccccc21)C1CCCC1 ZINC000007760276 717106280 /nfs/dbraw/zinc/10/62/80/717106280.db2.gz MMWJLOLABRWOTQ-UHFFFAOYSA-N 1 0 254.397 4.359 10 5 CIBERO Cc1c(Br)cccc1C[N+](C)(C)C1CCCC1 ZINC000090064756 717137731 /nfs/dbraw/zinc/13/77/31/717137731.db2.gz FIAFFZBMDITVLT-UHFFFAOYSA-N 1 0 297.260 4.277 10 5 CIBERO C[C@H]([NH2+]C1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000021520202 171315489 /nfs/dbraw/zinc/31/54/89/171315489.db2.gz KJYGFPBHOAYCQM-ZDUSSCGKSA-N 1 0 276.380 4.358 10 5 CIBERO CC[C@@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000036960098 260057853 /nfs/dbraw/zinc/05/78/53/260057853.db2.gz NRPXNOYOWRWTQM-IUODEOHRSA-N 1 0 288.347 4.298 10 5 CIBERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000158138267 261159415 /nfs/dbraw/zinc/15/94/15/261159415.db2.gz RMJWNDYEYMJNEZ-QWHCGFSZSA-N 1 0 288.347 4.216 10 5 CIBERO CCC[C@@H]([NH2+][C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020522516 262245292 /nfs/dbraw/zinc/24/52/92/262245292.db2.gz BQUQZKBPUKMTAU-IUODEOHRSA-N 1 0 264.369 4.070 10 5 CIBERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526149 262246058 /nfs/dbraw/zinc/24/60/58/262246058.db2.gz OLGKKFOGKSMZJD-STQMWFEESA-N 1 0 264.369 4.070 10 5 CIBERO CCC(C)(C)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538224663 333580335 /nfs/dbraw/zinc/58/03/35/333580335.db2.gz INZQDFCJCAFDLE-LBPRGKRZSA-N 1 0 264.369 4.072 10 5 CIBERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000037010545 522742693 /nfs/dbraw/zinc/74/26/93/522742693.db2.gz PDLGSVNCFKHBPR-RISCZKNCSA-N 1 0 290.388 4.458 10 5 CIBERO CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(C)CCCCC1 ZINC000003608899 717096223 /nfs/dbraw/zinc/09/62/23/717096223.db2.gz JWSBLTYAQSJNFJ-UHFFFAOYSA-N 1 0 298.491 4.013 10 5 CIBERO CC[N+](C)(CC)CCOC(c1ccccc1)c1ccccc1 ZINC000005651729 717101100 /nfs/dbraw/zinc/10/11/00/717101100.db2.gz IHFMXHPNVAVTCJ-UHFFFAOYSA-N 1 0 298.450 4.279 10 5 CIBERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000104448177 186005795 /nfs/dbraw/zinc/00/57/95/186005795.db2.gz ZTDOJVVUXRWBAY-VXGBXAGGSA-N 1 0 264.369 4.070 10 5 CIBERO CCCCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035139861 172008377 /nfs/dbraw/zinc/00/83/77/172008377.db2.gz JBRWHXVFRKTGDE-CHWSQXEVSA-N 1 0 264.369 4.214 10 5 CIBERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526148 262246411 /nfs/dbraw/zinc/24/64/11/262246411.db2.gz OLGKKFOGKSMZJD-OLZOCXBDSA-N 1 0 264.369 4.070 10 5 CIBERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049127398 328341576 /nfs/dbraw/zinc/34/15/76/328341576.db2.gz MQIFUWSMHWQIHR-HUUCEWRRSA-N 1 0 264.369 4.070 10 5 CIBERO CCCCC[C@H]1C[C@@H](c2ccc(C)cc2)[N+](C)(C)O1 ZINC000039407377 717126834 /nfs/dbraw/zinc/12/68/34/717126834.db2.gz XJDLLLUQMVAQFN-IRXDYDNUSA-N 1 0 262.417 4.397 10 5 CIBERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000104438407 186002575 /nfs/dbraw/zinc/00/25/75/186002575.db2.gz OIEOBFSLGZCJHP-RYUDHWBXSA-N 1 0 264.369 4.070 10 5 CIBERO C[C@H](COc1ccc(/C=C/c2ccccc2)cc1)[N+](C)(C)C ZINC000008830559 170357107 /nfs/dbraw/zinc/35/71/07/170357107.db2.gz FFFWNLITWYXBHY-SXSDINLZSA-N 1 0 296.434 4.331 10 5 CIBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000020122015 171002210 /nfs/dbraw/zinc/00/22/10/171002210.db2.gz VYSNTYFJILUTAI-LLVKDONJSA-N 1 0 290.750 4.099 10 5 CIBERO Cc1ccc(C[NH2+][C@@H](C)CCCC(C)C)cc1[N+](=O)[O-] ZINC000034995002 171923235 /nfs/dbraw/zinc/92/32/35/171923235.db2.gz WDJDAESQZCHLQR-AWEZNQCLSA-N 1 0 278.396 4.208 10 5 CIBERO CC[N+](C)(C)CCO[C@H](c1ccccc1)c1ccccc1C ZINC000035567311 172265627 /nfs/dbraw/zinc/26/56/27/172265627.db2.gz GADONUXFKGVEDB-HXUWFJFHSA-N 1 0 298.450 4.197 10 5 CIBERO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037260417 173070683 /nfs/dbraw/zinc/07/06/83/173070683.db2.gz POIMDFBOLUJPGK-IUODEOHRSA-N 1 0 264.369 4.070 10 5 CIBERO C[C@@H]([NH2+]CCCC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000313267596 327105740 /nfs/dbraw/zinc/10/57/40/327105740.db2.gz KUFYCONMXGZGFD-GFCCVEGCSA-N 1 0 264.369 4.072 10 5 CIBERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000157248917 334764630 /nfs/dbraw/zinc/76/46/30/334764630.db2.gz PECHNVLGAXCSLI-KGLIPLIRSA-N 1 0 284.359 4.315 10 5 CIBERO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000037010543 522697404 /nfs/dbraw/zinc/69/74/04/522697404.db2.gz PDLGSVNCFKHBPR-FZMZJTMJSA-N 1 0 290.388 4.458 10 5 CIBERO O=[N+]([O-])c1cc(C[NH2+]C2CCCCCC2)ccc1Cl ZINC000061003595 527329182 /nfs/dbraw/zinc/32/91/82/527329182.db2.gz YSLZPJFWDSKUAG-UHFFFAOYSA-N 1 0 282.771 4.061 10 5 CIBERO CCCCC[C@@H]1C[C@@H](c2ccc(OC)cc2)[N+](C)(C)O1 ZINC000039407384 717126755 /nfs/dbraw/zinc/12/67/55/717126755.db2.gz WFCOCGDWKVDTLK-SJORKVTESA-N 1 0 278.416 4.097 10 5 CIBERO Cc1ccc([C@H]2C[C@H](c3ccccc3)O[N+]2(C)C)cc1 ZINC000039407387 717126795 /nfs/dbraw/zinc/12/67/95/717126795.db2.gz IZHPXHWHVLFNPR-QZTJIDSGSA-N 1 0 268.380 4.189 10 5 CIBERO C[N+]1(CCN(c2ccccc2)c2ccccc2)CCCC1 ZINC000003639082 717096975 /nfs/dbraw/zinc/09/69/75/717096975.db2.gz XZQIGJZMOQLQMT-UHFFFAOYSA-N 1 0 281.423 4.065 10 5 CIBERO Cc1c2[nH]c3ccccc3c2c(C)c2c1CC[N+](C)(C)C2 ZINC000006069174 717104358 /nfs/dbraw/zinc/10/43/58/717104358.db2.gz RVHGCMKLHRBCCL-UHFFFAOYSA-N 1 0 279.407 4.070 10 5 CIBERO C[N+](C)(Cc1csc(Br)c1)C1CCCC1 ZINC000128163812 717150531 /nfs/dbraw/zinc/15/05/31/717150531.db2.gz WOSRWVCCFOHRDK-UHFFFAOYSA-N 1 0 289.262 4.030 10 5 CIBERO C[C@@H](COc1ccc(/C=C/c2ccccc2)cc1)[N+](C)(C)C ZINC000002507635 169796758 /nfs/dbraw/zinc/79/67/58/169796758.db2.gz FFFWNLITWYXBHY-DVQDXYAYSA-N 1 0 296.434 4.331 10 5 CIBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000020122018 171002321 /nfs/dbraw/zinc/00/23/21/171002321.db2.gz XXOLNDLGIPMGTN-NSHDSACASA-N 1 0 290.750 4.099 10 5 CIBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000020124311 171006311 /nfs/dbraw/zinc/00/63/11/171006311.db2.gz RWQWSXPZYLPUGJ-NSHDSACASA-N 1 0 290.750 4.099 10 5 CIBERO CC[N+](C)(C)CCO[C@@H](c1ccccc1)c1ccccc1C ZINC000035567309 172265183 /nfs/dbraw/zinc/26/51/83/172265183.db2.gz GADONUXFKGVEDB-FQEVSTJZSA-N 1 0 298.450 4.197 10 5 CIBERO C[N+]1(Cc2ccccc2Cl)CCc2sccc2C1 ZINC000077303441 177250856 /nfs/dbraw/zinc/25/08/56/177250856.db2.gz FSKOZAUZJCLQHZ-UHFFFAOYSA-N 1 0 278.828 4.104 10 5 in-vitro CIBERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000020526209 262246314 /nfs/dbraw/zinc/24/63/14/262246314.db2.gz CSJGOYFWEHQJPQ-ZIAGYGMSSA-N 1 0 284.359 4.049 10 5 CIBERO CCCCC[C@@H]1C[C@H](c2ccc(OC)cc2)[N+](C)(C)O1 ZINC000039407382 717126520 /nfs/dbraw/zinc/12/65/20/717126520.db2.gz WFCOCGDWKVDTLK-IAGOWNOFSA-N 1 0 278.416 4.097 10 5 CIBERO CCC[N+](C)(C)N1c2ccccc2Sc2cccnc21 ZINC000263584256 717179785 /nfs/dbraw/zinc/17/97/85/717179785.db2.gz NWVUIIXNGUSMCE-UHFFFAOYSA-N 1 0 286.424 4.086 10 5 CIBERO CCC[C@@H](C)[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000021007614 171285060 /nfs/dbraw/zinc/28/50/60/171285060.db2.gz RPBRFQFMQIFETL-IUODEOHRSA-N 1 0 264.369 4.214 10 5 CIBERO CC[C@H]([NH2+][C@H](C)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037260415 173070985 /nfs/dbraw/zinc/07/09/85/173070985.db2.gz POIMDFBOLUJPGK-DOMZBBRYSA-N 1 0 264.369 4.070 10 5 CIBERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000158138413 261159184 /nfs/dbraw/zinc/15/91/84/261159184.db2.gz RMJWNDYEYMJNEZ-STQMWFEESA-N 1 0 288.347 4.216 10 5 CIBERO C[C@H]([NH2+]CCC1=CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526127 262245347 /nfs/dbraw/zinc/24/53/47/262245347.db2.gz YCZQBAJZCBKJKS-ZDUSSCGKSA-N 1 0 274.364 4.136 10 5 CIBERO C[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020526208 262246047 /nfs/dbraw/zinc/24/60/47/262246047.db2.gz CSJGOYFWEHQJPQ-UONOGXRCSA-N 1 0 284.359 4.049 10 5 CIBERO C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526291 262246287 /nfs/dbraw/zinc/24/62/87/262246287.db2.gz OOFJHTTXBZHOII-NSHDSACASA-N 1 0 290.750 4.099 10 5 CIBERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049127393 328341569 /nfs/dbraw/zinc/34/15/69/328341569.db2.gz MQIFUWSMHWQIHR-LSDHHAIUSA-N 1 0 264.369 4.070 10 5 CIBERO CCC(C)(C)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538224662 333580328 /nfs/dbraw/zinc/58/03/28/333580328.db2.gz INZQDFCJCAFDLE-GFCCVEGCSA-N 1 0 264.369 4.072 10 5 CIBERO CCCCC[C@H]1C[C@@H](c2ccc(OC)cc2)[N+](C)(C)O1 ZINC000039407385 717126648 /nfs/dbraw/zinc/12/66/48/717126648.db2.gz WFCOCGDWKVDTLK-IRXDYDNUSA-N 1 0 278.416 4.097 10 5 CIBERO CCCCC[C@@H]1C[C@H](c2ccc(C)cc2)[N+](C)(C)O1 ZINC000039407374 717126784 /nfs/dbraw/zinc/12/67/84/717126784.db2.gz XJDLLLUQMVAQFN-IAGOWNOFSA-N 1 0 262.417 4.397 10 5 CIBERO C[N@+]1(Cc2ccccc2Cl)CCc2sccc2C1 ZINC000247638633 189941395 /nfs/dbraw/zinc/94/13/95/189941395.db2.gz FSKOZAUZJCLQHZ-QGZVFWFLSA-N 1 0 278.828 4.104 10 5 CIBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000020122017 171002266 /nfs/dbraw/zinc/00/22/66/171002266.db2.gz XXOLNDLGIPMGTN-LLVKDONJSA-N 1 0 290.750 4.099 10 5 CIBERO CCC[C@@H]([NH2+][C@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738589 172391494 /nfs/dbraw/zinc/39/14/94/172391494.db2.gz YWTNNWFLCMAZQQ-IUODEOHRSA-N 1 0 288.347 4.380 10 5 CIBERO CC[C@H]([NH2+][C@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000036960097 260057889 /nfs/dbraw/zinc/05/78/89/260057889.db2.gz NRPXNOYOWRWTQM-DOMZBBRYSA-N 1 0 288.347 4.298 10 5 CIBERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000158137805 261159294 /nfs/dbraw/zinc/15/92/94/261159294.db2.gz WXMIBLGPPRVXLE-STQMWFEESA-N 1 0 288.347 4.216 10 5 CIBERO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020526207 262246093 /nfs/dbraw/zinc/24/60/93/262246093.db2.gz CSJGOYFWEHQJPQ-KGLIPLIRSA-N 1 0 284.359 4.049 10 5 CIBERO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000049963387 328380092 /nfs/dbraw/zinc/38/00/92/328380092.db2.gz IVNLGSHRIYWERT-SECBINFHSA-N 1 0 296.779 4.161 10 5 CIBERO C[N+]1(CCOC(c2ccccc2)c2ccccc2)CCCC1 ZINC000205012515 717159515 /nfs/dbraw/zinc/15/95/15/717159515.db2.gz PHARDIBEEHELEE-UHFFFAOYSA-N 1 0 296.434 4.033 10 5 CIBERO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000020122016 171001928 /nfs/dbraw/zinc/00/19/28/171001928.db2.gz VYSNTYFJILUTAI-NSHDSACASA-N 1 0 290.750 4.099 10 5 CIBERO CCCCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035139859 172008163 /nfs/dbraw/zinc/00/81/63/172008163.db2.gz JBRWHXVFRKTGDE-STQMWFEESA-N 1 0 264.369 4.214 10 5 CIBERO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037260411 173070571 /nfs/dbraw/zinc/07/05/71/173070571.db2.gz POIMDFBOLUJPGK-WFASDCNBSA-N 1 0 264.369 4.070 10 5 CIBERO CC[C@@H]([NH2+]CCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038093560 174107404 /nfs/dbraw/zinc/10/74/04/174107404.db2.gz VFZDUURZJIFMAV-OAHLLOKOSA-N 1 0 264.369 4.072 10 5 CIBERO CC[N+](CC)(CC)Cc1ccc(C(=O)c2ccccc2)cc1 ZINC000039097282 174162953 /nfs/dbraw/zinc/16/29/53/174162953.db2.gz LJDMTIADXAIYMC-UHFFFAOYSA-N 1 0 296.434 4.294 10 5 CIBERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000158137657 261159309 /nfs/dbraw/zinc/15/93/09/261159309.db2.gz WXMIBLGPPRVXLE-OLZOCXBDSA-N 1 0 288.347 4.216 10 5 CIBERO CC[N+](C)(CC)CCOc1ccccc1-c1ccccc1 ZINC000001998246 717091357 /nfs/dbraw/zinc/09/13/57/717091357.db2.gz YLCLKIIOSQFNNU-UHFFFAOYSA-N 1 0 284.423 4.219 10 5 CIBERO Cc1ccc([C@H]2C[C@@H](c3ccccc3)O[N+]2(C)C)cc1 ZINC000039407389 717126790 /nfs/dbraw/zinc/12/67/90/717126790.db2.gz IZHPXHWHVLFNPR-MSOLQXFVSA-N 1 0 268.380 4.189 10 5 CIBERO C[N+]1(C)CCCC(=C(c2cccs2)c2cccs2)C1 ZINC000002560282 717095508 /nfs/dbraw/zinc/09/55/08/717095508.db2.gz VLYQYGBYQKDJLK-UHFFFAOYSA-N 1 0 290.477 4.482 10 5 CIBERO C[N+](C)(Cc1ccc(Br)s1)C1CCCC1 ZINC000067437855 717133188 /nfs/dbraw/zinc/13/31/88/717133188.db2.gz IKIZCKCYEONKNH-UHFFFAOYSA-N 1 0 289.262 4.030 10 5 CIBERO C[N+]1(CC2(c3ccccc3)CCCC2)CCCCC1 ZINC000136930194 717151037 /nfs/dbraw/zinc/15/10/37/717151037.db2.gz WQMMYWFFZVKYQX-UHFFFAOYSA-N 1 0 258.429 4.129 10 5 CIBERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000104438405 186002376 /nfs/dbraw/zinc/00/23/76/186002376.db2.gz OIEOBFSLGZCJHP-NEPJUHHUSA-N 1 0 264.369 4.070 10 5 CIBERO CCC[C@H]([NH2+][C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738586 172391380 /nfs/dbraw/zinc/39/13/80/172391380.db2.gz YWTNNWFLCMAZQQ-WFASDCNBSA-N 1 0 288.347 4.380 10 5 CIBERO CC[C@H]([NH2+]CCCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000038093559 174107508 /nfs/dbraw/zinc/10/75/08/174107508.db2.gz VFZDUURZJIFMAV-HNNXBMFYSA-N 1 0 264.369 4.072 10 5 CIBERO CCC[C@H]([NH2+][C@@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020522515 262245084 /nfs/dbraw/zinc/24/50/84/262245084.db2.gz BQUQZKBPUKMTAU-WFASDCNBSA-N 1 0 264.369 4.070 10 5 CIBERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526150 262246076 /nfs/dbraw/zinc/24/60/76/262246076.db2.gz OLGKKFOGKSMZJD-CHWSQXEVSA-N 1 0 264.369 4.070 10 5 CIBERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000037010544 522913087 /nfs/dbraw/zinc/91/30/87/522913087.db2.gz PDLGSVNCFKHBPR-SMDDNHRTSA-N 1 0 290.388 4.458 10 5 CIBERO C[N+](C)(CCCCCO)C(c1ccccc1)c1ccccc1 ZINC000003176029 567851949 /nfs/dbraw/zinc/85/19/49/567851949.db2.gz YFXPVKBIVLOYJV-UHFFFAOYSA-N 1 0 298.450 4.015 10 5 CIBERO CC[N+](CC)(Cc1ccccc1)Cc1ccccc1 ZINC000060205644 717132071 /nfs/dbraw/zinc/13/20/71/717132071.db2.gz RBUJTRYJXATERJ-UHFFFAOYSA-N 1 0 254.397 4.243 10 5 CIBERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000104448181 186006152 /nfs/dbraw/zinc/00/61/52/186006152.db2.gz ZTDOJVVUXRWBAY-NWDGAFQWSA-N 1 0 264.369 4.070 10 5 CIBERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000158138697 261159331 /nfs/dbraw/zinc/15/93/31/261159331.db2.gz RMJWNDYEYMJNEZ-OLZOCXBDSA-N 1 0 288.347 4.216 10 5 CIBERO C[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020526206 262246430 /nfs/dbraw/zinc/24/64/30/262246430.db2.gz CSJGOYFWEHQJPQ-KBPBESRZSA-N 1 0 284.359 4.049 10 5 CIBERO CC[C@H]([NH2+]Cc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000050225182 522646629 /nfs/dbraw/zinc/64/66/29/522646629.db2.gz XMSBPZSELHBNDF-HNNXBMFYSA-N 1 0 290.388 4.206 10 5 CIBERO CC[N+](C)(C)CCOCc1ccccc1-c1ccccc1C ZINC000033611211 717121580 /nfs/dbraw/zinc/12/15/80/717121580.db2.gz AZAMGFSOBMTZJT-UHFFFAOYSA-N 1 0 298.450 4.275 10 5 CIBERO CCC(CC)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000104448187 186005737 /nfs/dbraw/zinc/00/57/37/186005737.db2.gz KMNFUFCNGMGTQD-SNVBAGLBSA-N 1 0 284.787 4.163 10 5 CIBERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000104448172 186005936 /nfs/dbraw/zinc/00/59/36/186005936.db2.gz ZTDOJVVUXRWBAY-RYUDHWBXSA-N 1 0 264.369 4.070 10 5 CIBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000020124313 171006544 /nfs/dbraw/zinc/00/65/44/171006544.db2.gz QHODSLPCFKFCKE-NSHDSACASA-N 1 0 290.750 4.099 10 5 CIBERO CCC[C@@H](C)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000021007610 171284923 /nfs/dbraw/zinc/28/49/23/171284923.db2.gz RPBRFQFMQIFETL-DOMZBBRYSA-N 1 0 264.369 4.214 10 5 CIBERO CCC[C@H]([NH2+]C(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000021013933 171288781 /nfs/dbraw/zinc/28/87/81/171288781.db2.gz YQOINDHICYMBBF-HNNXBMFYSA-N 1 0 264.369 4.214 10 5 CIBERO CC[C@H]([NH2+][C@@H](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000049127390 328341723 /nfs/dbraw/zinc/34/17/23/328341723.db2.gz MQIFUWSMHWQIHR-GJZGRUSLSA-N 1 0 264.369 4.070 10 5 CIBERO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000049963386 328380043 /nfs/dbraw/zinc/38/00/43/328380043.db2.gz IVNLGSHRIYWERT-VIFPVBQESA-N 1 0 296.779 4.161 10 5 CIBERO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000050443436 328439829 /nfs/dbraw/zinc/43/98/29/328439829.db2.gz NFQWUEMUUCCOOH-VIFPVBQESA-N 1 0 296.779 4.161 10 5 CIBERO Cc1ccc([C@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000037772191 525930972 /nfs/dbraw/zinc/93/09/72/525930972.db2.gz JZGMJRHFRCKQJY-LBPRGKRZSA-N 1 0 290.388 4.124 10 5 CIBERO CC[N+](CC)(CC)Cc1cccc(C(F)(F)F)c1 ZINC000034198831 717124223 /nfs/dbraw/zinc/12/42/23/717124223.db2.gz XHZGKDXJEIOBPO-UHFFFAOYSA-N 1 0 260.323 4.082 10 5 CIBERO C[N+](C)(Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000125334735 717150682 /nfs/dbraw/zinc/15/06/82/717150682.db2.gz CACPQTFXYQHQAJ-UHFFFAOYSA-N 1 0 272.334 4.224 10 5 CIBERO COc1ccc(-c2[nH]c3ccccc3c2C[N+](C)(C)C)cc1 ZINC000514252366 717183405 /nfs/dbraw/zinc/18/34/05/717183405.db2.gz LKFUBTVMXLXLTI-UHFFFAOYSA-N 1 0 295.406 4.050 10 5 CIBERO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000036960096 260057878 /nfs/dbraw/zinc/05/78/78/260057878.db2.gz NRPXNOYOWRWTQM-SWLSCSKDSA-N 1 0 288.347 4.298 10 5 CIBERO CC(C)CCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020560255 171251491 /nfs/dbraw/zinc/25/14/91/171251491.db2.gz XSXBJPLLKMZTMZ-UONOGXRCSA-N 1 0 278.396 4.460 10 5 CIBERO CCC[C@@H]([NH2+]C(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000021013932 171288905 /nfs/dbraw/zinc/28/89/05/171288905.db2.gz YQOINDHICYMBBF-OAHLLOKOSA-N 1 0 264.369 4.214 10 5 CIBERO Nc1ccc2c(c1)[nH+]c1cc(N)ccc1c2-c1ccccc1 ZINC000027103027 171507576 /nfs/dbraw/zinc/50/75/76/171507576.db2.gz WTUUMEGFSMFEKZ-UHFFFAOYSA-N 1 0 285.350 4.219 10 5 CIBERO CC(C)C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000042582379 174806347 /nfs/dbraw/zinc/80/63/47/174806347.db2.gz VXGGPMZWFXWKOD-UHFFFAOYSA-N 1 0 284.787 4.115 10 5 CIBERO CC[C@H]([NH2+]Cc1sccc1C)c1cccc([N+](=O)[O-])c1 ZINC000090224570 260240098 /nfs/dbraw/zinc/24/00/98/260240098.db2.gz BVLNEOGVGRYRII-AWEZNQCLSA-N 1 0 290.388 4.206 10 5 CIBERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000158138122 261158948 /nfs/dbraw/zinc/15/89/48/261158948.db2.gz WXMIBLGPPRVXLE-QWHCGFSZSA-N 1 0 288.347 4.216 10 5 CIBERO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000178175659 261731022 /nfs/dbraw/zinc/73/10/22/261731022.db2.gz SBYABLOJYBKFGN-NWDGAFQWSA-N 1 0 290.388 4.377 10 5 CIBERO C[C@H](NCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000020525988 262245168 /nfs/dbraw/zinc/24/51/68/262245168.db2.gz IKDAYDUBNNQCPP-NSHDSACASA-N 1 0 290.750 4.099 10 5 CIBERO C[C@@H](NCc1ccccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000020525987 262245343 /nfs/dbraw/zinc/24/53/43/262245343.db2.gz IKDAYDUBNNQCPP-LLVKDONJSA-N 1 0 290.750 4.099 10 5 CIBERO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000049127396 328341697 /nfs/dbraw/zinc/34/16/97/328341697.db2.gz MQIFUWSMHWQIHR-CABCVRRESA-N 1 0 264.369 4.070 10 5 CIBERO C[N+](C)(C)CC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000003634465 717096902 /nfs/dbraw/zinc/09/69/02/717096902.db2.gz PLKZMNMTJGTBQF-TVRCVXMWSA-N 1 0 292.446 4.380 10 5 CIBERO C[N+](C)(Cc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000057939885 717130963 /nfs/dbraw/zinc/13/09/63/717130963.db2.gz ZNIZUYCUVFMLMW-UHFFFAOYSA-N 1 0 272.334 4.224 10 5 CIBERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000104438409 186002577 /nfs/dbraw/zinc/00/25/77/186002577.db2.gz OIEOBFSLGZCJHP-VXGBXAGGSA-N 1 0 264.369 4.070 10 5 CIBERO CCC[C@H](C)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000021007612 171285045 /nfs/dbraw/zinc/28/50/45/171285045.db2.gz RPBRFQFMQIFETL-WFASDCNBSA-N 1 0 264.369 4.214 10 5 CIBERO CC[N@H+](CCCO)Cc1c2ccccc2cc2ccccc21 ZINC000021994735 171347394 /nfs/dbraw/zinc/34/73/94/171347394.db2.gz NDOSNEOXZGVPCN-UHFFFAOYSA-N 1 0 293.410 4.197 10 5 CIBERO C[C@@H](O)C[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34 ZINC000026469180 171486196 /nfs/dbraw/zinc/48/61/96/171486196.db2.gz LQTHAZYQBCEYFW-CYBMUJFWSA-N 1 0 289.378 4.054 10 5 CIBERO CCC[C@@H]([NH2+][C@@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020522513 262245268 /nfs/dbraw/zinc/24/52/68/262245268.db2.gz BQUQZKBPUKMTAU-SWLSCSKDSA-N 1 0 264.369 4.070 10 5 CIBERO CC[C@@H]([NH2+]Cc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000050225183 522874166 /nfs/dbraw/zinc/87/41/66/522874166.db2.gz XMSBPZSELHBNDF-OAHLLOKOSA-N 1 0 290.388 4.206 10 5 CIBERO CCCC[C@](C)(CC)C(=O)OCCC[N+]1(C)CCCCC1 ZINC000003624306 717096419 /nfs/dbraw/zinc/09/64/19/717096419.db2.gz GUJMHPVZQNGGIU-SFHVURJKSA-N 1 0 298.491 4.157 10 5 CIBERO C[N+](C)(Cc1ccccc1)Cc1cc(Cl)nc(Cl)c1 ZINC000000163062 717087847 /nfs/dbraw/zinc/08/78/47/717087847.db2.gz AGNBQBDOYZWSKF-UHFFFAOYSA-N 1 0 296.221 4.165 10 5 CIBERO C[N+](C)(C)CCCN1c2ccccc2CCc2ccccc21 ZINC000005159398 717099197 /nfs/dbraw/zinc/09/91/97/717099197.db2.gz KUBAYUCQNCPIHS-UHFFFAOYSA-N 1 0 295.450 4.020 10 5 CIBERO c1ccc(C[N+]2(Cc3ccccc3)CCCCC2)cc1 ZINC000140417353 717151976 /nfs/dbraw/zinc/15/19/76/717151976.db2.gz GPPHKQHTVOACJB-UHFFFAOYSA-N 1 0 266.408 4.388 10 5 CIBERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000104438411 186002120 /nfs/dbraw/zinc/00/21/20/186002120.db2.gz OIEOBFSLGZCJHP-NWDGAFQWSA-N 1 0 264.369 4.070 10 5 CIBERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000104448167 186005575 /nfs/dbraw/zinc/00/55/75/186005575.db2.gz ZTDOJVVUXRWBAY-NEPJUHHUSA-N 1 0 264.369 4.070 10 5 CIBERO C[C@@H]([NH2+]C1CCCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000021520201 171315599 /nfs/dbraw/zinc/31/55/99/171315599.db2.gz KJYGFPBHOAYCQM-CYBMUJFWSA-N 1 0 276.380 4.358 10 5 CIBERO CCCCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000035139864 172008437 /nfs/dbraw/zinc/00/84/37/172008437.db2.gz JBRWHXVFRKTGDE-QWHCGFSZSA-N 1 0 264.369 4.214 10 5 CIBERO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116295348 267138200 /nfs/dbraw/zinc/13/82/00/267138200.db2.gz GJLJEHKPJWLHRD-SWLSCSKDSA-N 1 0 286.331 4.086 10 5 CIBERO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000035253674 330244588 /nfs/dbraw/zinc/24/45/88/330244588.db2.gz LORQWSUHMYLXQO-SECBINFHSA-N 1 0 296.779 4.161 10 5 CIBERO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000071307132 330370020 /nfs/dbraw/zinc/37/00/20/330370020.db2.gz HCJRREMVUGGQDI-SECBINFHSA-N 1 0 296.779 4.161 10 5 CIBERO Cc1ccc([C@@H](C)[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000037772190 525737058 /nfs/dbraw/zinc/73/70/58/525737058.db2.gz JZGMJRHFRCKQJY-GFCCVEGCSA-N 1 0 290.388 4.124 10 5 CIBERO CCCC[C@@](C)(CC)C(=O)OCCC[N+]1(C)CCCCC1 ZINC000003624304 717096155 /nfs/dbraw/zinc/09/61/55/717096155.db2.gz GUJMHPVZQNGGIU-GOSISDBHSA-N 1 0 298.491 4.157 10 5 CIBERO CCCCC[C@@H]1C[C@@H](c2ccc(C)cc2)[N+](C)(C)O1 ZINC000039407376 717126718 /nfs/dbraw/zinc/12/67/18/717126718.db2.gz XJDLLLUQMVAQFN-SJORKVTESA-N 1 0 262.417 4.397 10 5 CIBERO CCCCC[C@H]1C[C@H](c2ccc(OC)cc2)[N+](C)(C)O1 ZINC000039407383 717126789 /nfs/dbraw/zinc/12/67/89/717126789.db2.gz WFCOCGDWKVDTLK-DLBZAZTESA-N 1 0 278.416 4.097 10 5 CIBERO C[N+](C)(Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000072894233 717133840 /nfs/dbraw/zinc/13/38/40/717133840.db2.gz UFDPGLGESNGTFY-UHFFFAOYSA-N 1 0 272.334 4.224 10 5 CIBERO C[N+]1(C2(c3ccccc3)CCCCC2)CCCCC1 ZINC000006068240 170173895 /nfs/dbraw/zinc/17/38/95/170173895.db2.gz QGYQRMGRVDVCFM-UHFFFAOYSA-N 1 0 258.429 4.477 10 5 CIBERO CCC[C@@H]([NH2+][C@@H](C)CCC)c1cccc([N+](=O)[O-])c1 ZINC000021007616 171284958 /nfs/dbraw/zinc/28/49/58/171284958.db2.gz RPBRFQFMQIFETL-SWLSCSKDSA-N 1 0 264.369 4.214 10 5 CIBERO CCC[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738587 172391830 /nfs/dbraw/zinc/39/18/30/172391830.db2.gz YWTNNWFLCMAZQQ-SWLSCSKDSA-N 1 0 288.347 4.380 10 5 CIBERO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037260413 173070872 /nfs/dbraw/zinc/07/08/72/173070872.db2.gz POIMDFBOLUJPGK-SWLSCSKDSA-N 1 0 264.369 4.070 10 5 CIBERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000158137958 261159445 /nfs/dbraw/zinc/15/94/45/261159445.db2.gz WXMIBLGPPRVXLE-CHWSQXEVSA-N 1 0 288.347 4.216 10 5 CIBERO Cc1ccc([C@@H]2C[C@@H](c3ccccc3)O[N+]2(C)C)cc1 ZINC000039407388 717126513 /nfs/dbraw/zinc/12/65/13/717126513.db2.gz IZHPXHWHVLFNPR-ROUUACIJSA-N 1 0 268.380 4.189 10 5 CIBERO CCCCC[C@H]1C[C@H](c2ccc(C)cc2)[N+](C)(C)O1 ZINC000039407375 717126578 /nfs/dbraw/zinc/12/65/78/717126578.db2.gz XJDLLLUQMVAQFN-DLBZAZTESA-N 1 0 262.417 4.397 10 5 CIBERO Cc1ccc([C@@H]2C[C@H](c3ccccc3)O[N+]2(C)C)cc1 ZINC000039407386 717126745 /nfs/dbraw/zinc/12/67/45/717126745.db2.gz IZHPXHWHVLFNPR-ZWKOTPCHSA-N 1 0 268.380 4.189 10 5 CIBERO C[N+]1(CCN(c2ccccc2)c2ccccc2)CCCCC1 ZINC000003642218 717097197 /nfs/dbraw/zinc/09/71/97/717097197.db2.gz NLZPIOVHCSIGLO-UHFFFAOYSA-N 1 0 295.450 4.455 10 5 CIBERO C[N+](C)(C)CC[C@H]1CC2c3ccccc3C1c1ccccc12 ZINC000003634464 717097302 /nfs/dbraw/zinc/09/73/02/717097302.db2.gz PLKZMNMTJGTBQF-VUZGARFFSA-N 1 0 292.446 4.380 10 5 CIBERO CC[C@H]([NH2+][C@@H](C)c1ccc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000036960095 260057495 /nfs/dbraw/zinc/05/74/95/260057495.db2.gz NRPXNOYOWRWTQM-WFASDCNBSA-N 1 0 288.347 4.298 10 5 CIBERO CCC[C@H]([NH2+][C@H](C)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035738588 172391674 /nfs/dbraw/zinc/39/16/74/172391674.db2.gz YWTNNWFLCMAZQQ-DOMZBBRYSA-N 1 0 288.347 4.380 10 5 CIBERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)o1 ZINC000158138547 261159283 /nfs/dbraw/zinc/15/92/83/261159283.db2.gz RMJWNDYEYMJNEZ-CHWSQXEVSA-N 1 0 288.347 4.216 10 5 CIBERO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-] ZINC000020526290 262246390 /nfs/dbraw/zinc/24/63/90/262246390.db2.gz OOFJHTTXBZHOII-LLVKDONJSA-N 1 0 290.750 4.099 10 5 CIBERO CC[C@H]([NH2+][C@@H](C)c1cncc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000184381037 327827493 /nfs/dbraw/zinc/82/74/93/327827493.db2.gz ICUBJGPBWDPHDQ-GUYCJALGSA-N 1 0 299.374 4.100 10 5 CIBERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000037010546 522937736 /nfs/dbraw/zinc/93/77/36/522937736.db2.gz PDLGSVNCFKHBPR-BXUZGUMPSA-N 1 0 290.388 4.458 10 5 CIBERO