smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164705326 719847599 /nfs/dbraw/zinc/84/75/99/719847599.db2.gz VCGMTPIHFROHDT-JLTOFOAXSA-N 1 2 449.895 2.424 20 5 IEBDLO CC(C)Oc1nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913745 721796065 /nfs/dbraw/zinc/79/60/65/721796065.db2.gz GSKHKJUKOUXGNV-QFIPXVFZSA-N 1 2 443.504 2.280 20 5 IEBDLO CC(C)Oc1nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913745 721796067 /nfs/dbraw/zinc/79/60/67/721796067.db2.gz GSKHKJUKOUXGNV-QFIPXVFZSA-N 1 2 443.504 2.280 20 5 IEBDLO CCOc1nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001164946794 721977201 /nfs/dbraw/zinc/97/72/01/721977201.db2.gz KYCMFQKXQPBTAA-UHFFFAOYSA-N 1 2 425.489 2.360 20 5 IEBDLO CCOc1nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC001164946794 721977203 /nfs/dbraw/zinc/97/72/03/721977203.db2.gz KYCMFQKXQPBTAA-UHFFFAOYSA-N 1 2 425.489 2.360 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164706820 719872270 /nfs/dbraw/zinc/87/22/70/719872270.db2.gz QRFQGVAZZKRBTF-OPAMFIHVSA-N 1 2 441.488 2.285 20 5 IEBDLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718373 720242567 /nfs/dbraw/zinc/24/25/67/720242567.db2.gz FNMMOZUWPYONQU-OAQYLSRUSA-N 1 2 447.923 2.461 20 5 IEBDLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718373 720242583 /nfs/dbraw/zinc/24/25/83/720242583.db2.gz FNMMOZUWPYONQU-OAQYLSRUSA-N 1 2 447.923 2.461 20 5 IEBDLO Cc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164913316 721777259 /nfs/dbraw/zinc/77/72/59/721777259.db2.gz WKQLWTQWDYXJFJ-FQEVSTJZSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc(Cl)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164913316 721777261 /nfs/dbraw/zinc/77/72/61/721777261.db2.gz WKQLWTQWDYXJFJ-FQEVSTJZSA-N 1 2 433.896 2.454 20 5 IEBDLO CCOC(=O)c1nc(Cl)nc(N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1[N+](=O)[O-] ZINC001164919575 721812489 /nfs/dbraw/zinc/81/24/89/721812489.db2.gz ZMTSSJYEDORYJQ-UHFFFAOYSA-N 1 2 449.899 2.161 20 5 IEBDLO COCCN1CC[N@H+](C)C2(CCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC2)C1=O ZINC001164633890 719270637 /nfs/dbraw/zinc/27/06/37/719270637.db2.gz JJVUNXKAQYWUFC-UHFFFAOYSA-N 1 2 427.505 2.211 20 5 IEBDLO COCCN1CC[N@@H+](C)C2(CCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)CC2)C1=O ZINC001164633890 719270638 /nfs/dbraw/zinc/27/06/38/719270638.db2.gz JJVUNXKAQYWUFC-UHFFFAOYSA-N 1 2 427.505 2.211 20 5 IEBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164637065 719273030 /nfs/dbraw/zinc/27/30/30/719273030.db2.gz ZZBXMSDZGVSVIP-UHFFFAOYSA-N 1 2 432.308 2.056 20 5 IEBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1=O ZINC001164637065 719273035 /nfs/dbraw/zinc/27/30/35/719273035.db2.gz ZZBXMSDZGVSVIP-UHFFFAOYSA-N 1 2 432.308 2.056 20 5 IEBDLO O=[N+]([O-])c1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912886 721771828 /nfs/dbraw/zinc/77/18/28/721771828.db2.gz RENYJNHTTIOXIW-QFIPXVFZSA-N 1 2 436.472 2.041 20 5 IEBDLO O=[N+]([O-])c1ccc2ncc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912886 721771831 /nfs/dbraw/zinc/77/18/31/721771831.db2.gz RENYJNHTTIOXIW-QFIPXVFZSA-N 1 2 436.472 2.041 20 5 IEBDLO Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164946337 721969179 /nfs/dbraw/zinc/96/91/79/721969179.db2.gz NJGXNOWMVNCHMZ-UHFFFAOYSA-N 1 2 430.896 2.318 20 5 IEBDLO Cc1nc(Cl)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164946337 721969181 /nfs/dbraw/zinc/96/91/81/721969181.db2.gz NJGXNOWMVNCHMZ-UHFFFAOYSA-N 1 2 430.896 2.318 20 5 IEBDLO COc1nc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc(OC)c1[N+](=O)[O-] ZINC001164673168 719508865 /nfs/dbraw/zinc/50/88/65/719508865.db2.gz OXOZFZMUPKVDQW-UHFFFAOYSA-N 1 2 447.467 2.413 20 5 IEBDLO COc1nc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc(OC)c1[N+](=O)[O-] ZINC001164673168 719508870 /nfs/dbraw/zinc/50/88/70/719508870.db2.gz OXOZFZMUPKVDQW-UHFFFAOYSA-N 1 2 447.467 2.413 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164703310 719847508 /nfs/dbraw/zinc/84/75/08/719847508.db2.gz QFMMMUJBTUILIQ-ZUOKHONESA-N 1 2 449.895 2.424 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164705327 719847737 /nfs/dbraw/zinc/84/77/37/719847737.db2.gz VCGMTPIHFROHDT-VBKZILBWSA-N 1 2 449.895 2.424 20 5 IEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164706823 719872138 /nfs/dbraw/zinc/87/21/38/719872138.db2.gz QRFQGVAZZKRBTF-ZHRRBRCNSA-N 1 2 441.488 2.285 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164706818 719872281 /nfs/dbraw/zinc/87/22/81/719872281.db2.gz QRFQGVAZZKRBTF-KSFYIVLOSA-N 1 2 441.488 2.285 20 5 IEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)C2=O)cs1 ZINC001164826514 720358847 /nfs/dbraw/zinc/35/88/47/720358847.db2.gz WOGCANOOACGKDY-UHFFFAOYSA-N 1 2 430.534 2.376 20 5 IEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc([N+](=O)[O-])cc4C)CC3)C2=O)cs1 ZINC001164826514 720358854 /nfs/dbraw/zinc/35/88/54/720358854.db2.gz WOGCANOOACGKDY-UHFFFAOYSA-N 1 2 430.534 2.376 20 5 IEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164705328 719847622 /nfs/dbraw/zinc/84/76/22/719847622.db2.gz VCGMTPIHFROHDT-VLIAUNLRSA-N 1 2 449.895 2.424 20 5 IEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164707980 719867556 /nfs/dbraw/zinc/86/75/56/719867556.db2.gz XAZHAQNSKVRYQP-GCJKJVERSA-N 1 2 441.488 2.285 20 5 IEBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912463 721778376 /nfs/dbraw/zinc/77/83/76/721778376.db2.gz MCQANRZVGKPMCP-HXUWFJFHSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912463 721778377 /nfs/dbraw/zinc/77/83/77/721778377.db2.gz MCQANRZVGKPMCP-HXUWFJFHSA-N 1 2 433.896 2.454 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164703308 719847769 /nfs/dbraw/zinc/84/77/69/719847769.db2.gz QFMMMUJBTUILIQ-RNODOKPDSA-N 1 2 449.895 2.424 20 5 IEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164825641 720359802 /nfs/dbraw/zinc/35/98/02/720359802.db2.gz SFDYJPKTBIOFLX-UHFFFAOYSA-N 1 2 430.534 2.376 20 5 IEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)cc4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164825641 720359809 /nfs/dbraw/zinc/35/98/09/720359809.db2.gz SFDYJPKTBIOFLX-UHFFFAOYSA-N 1 2 430.534 2.376 20 5 IEBDLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ccc1[N+](=O)[O-] ZINC001164823227 720363212 /nfs/dbraw/zinc/36/32/12/720363212.db2.gz CKGVBEGBBRLRFF-UHFFFAOYSA-N 1 2 446.533 2.077 20 5 IEBDLO COc1nc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001164823227 720363221 /nfs/dbraw/zinc/36/32/21/720363221.db2.gz CKGVBEGBBRLRFF-UHFFFAOYSA-N 1 2 446.533 2.077 20 5 IEBDLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@H+]3C)ncc1[N+](=O)[O-] ZINC001164825489 720366928 /nfs/dbraw/zinc/36/69/28/720366928.db2.gz PRDNLHGJUCSREW-UHFFFAOYSA-N 1 2 446.533 2.077 20 5 IEBDLO COc1cc(N2CCC3(CC2)C(=O)N(Cc2csc(C)n2)CC[N@@H+]3C)ncc1[N+](=O)[O-] ZINC001164825489 720366936 /nfs/dbraw/zinc/36/69/36/720366936.db2.gz PRDNLHGJUCSREW-UHFFFAOYSA-N 1 2 446.533 2.077 20 5 IEBDLO O=[N+]([O-])c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164910324 721773642 /nfs/dbraw/zinc/77/36/42/721773642.db2.gz BDYKEXBJRCOREU-QFIPXVFZSA-N 1 2 436.472 2.041 20 5 IEBDLO O=[N+]([O-])c1ccc2nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164910324 721773646 /nfs/dbraw/zinc/77/36/46/721773646.db2.gz BDYKEXBJRCOREU-QFIPXVFZSA-N 1 2 436.472 2.041 20 5 IEBDLO Cc1cc([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164910211 721777120 /nfs/dbraw/zinc/77/71/20/721777120.db2.gz ASRUGTFTFKTYJG-FQEVSTJZSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164910211 721777125 /nfs/dbraw/zinc/77/71/25/721777125.db2.gz ASRUGTFTFKTYJG-FQEVSTJZSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1Cl ZINC001164910230 721777232 /nfs/dbraw/zinc/77/72/32/721777232.db2.gz ASRUGTFTFKTYJG-HXUWFJFHSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc([N+](=O)[O-])c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1Cl ZINC001164910230 721777235 /nfs/dbraw/zinc/77/72/35/721777235.db2.gz ASRUGTFTFKTYJG-HXUWFJFHSA-N 1 2 433.896 2.454 20 5 IEBDLO COc1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164945979 721973419 /nfs/dbraw/zinc/97/34/19/721973419.db2.gz VJBPBCKZDIDKGX-UHFFFAOYSA-N 1 2 425.489 2.278 20 5 IEBDLO COc1cc(C)nc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC001164945979 721973421 /nfs/dbraw/zinc/97/34/21/721973421.db2.gz VJBPBCKZDIDKGX-UHFFFAOYSA-N 1 2 425.489 2.278 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164707981 719867370 /nfs/dbraw/zinc/86/73/70/719867370.db2.gz XAZHAQNSKVRYQP-PGRDOPGGSA-N 1 2 441.488 2.285 20 5 IEBDLO Cc1cc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)nc2ccc([N+](=O)[O-])cc12 ZINC001164703572 720047711 /nfs/dbraw/zinc/04/77/11/720047711.db2.gz KSTXDAQSOACIMZ-UHFFFAOYSA-N 1 2 449.515 2.135 20 5 IEBDLO O=[N+]([O-])c1ccc2nc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164910321 721773384 /nfs/dbraw/zinc/77/33/84/721773384.db2.gz BDYKEXBJRCOREU-JOCHJYFZSA-N 1 2 436.472 2.041 20 5 IEBDLO O=[N+]([O-])c1ccc2nc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cnc2c1 ZINC001164910321 721773385 /nfs/dbraw/zinc/77/33/85/721773385.db2.gz BDYKEXBJRCOREU-JOCHJYFZSA-N 1 2 436.472 2.041 20 5 IEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164703307 719847667 /nfs/dbraw/zinc/84/76/67/719847667.db2.gz QFMMMUJBTUILIQ-RBZFPXEDSA-N 1 2 449.895 2.424 20 5 IEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001164706815 719872348 /nfs/dbraw/zinc/87/23/48/719872348.db2.gz QRFQGVAZZKRBTF-AOMKIAJQSA-N 1 2 441.488 2.285 20 5 IEBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164912461 721777626 /nfs/dbraw/zinc/77/76/26/721777626.db2.gz MCQANRZVGKPMCP-FQEVSTJZSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164912461 721777631 /nfs/dbraw/zinc/77/76/31/721777631.db2.gz MCQANRZVGKPMCP-FQEVSTJZSA-N 1 2 433.896 2.454 20 5 IEBDLO CCOC(=O)c1nc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001165042345 721952528 /nfs/dbraw/zinc/95/25/28/721952528.db2.gz KLYPIUBYPFDIIB-UHFFFAOYSA-N 1 2 435.868 2.416 20 5 IEBDLO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)C1=O ZINC001164635508 719270788 /nfs/dbraw/zinc/27/07/88/719270788.db2.gz RUMKGGKBQDEXKC-UHFFFAOYSA-N 1 2 432.308 2.056 20 5 IEBDLO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)C1=O ZINC001164635508 719270795 /nfs/dbraw/zinc/27/07/95/719270795.db2.gz RUMKGGKBQDEXKC-UHFFFAOYSA-N 1 2 432.308 2.056 20 5 IEBDLO COc1cc2ncnc(N3CCCn4c(C[N@H+](C)C(C)C)nnc4C3)c2cc1[N+](=O)[O-] ZINC001165010329 721704347 /nfs/dbraw/zinc/70/43/47/721704347.db2.gz HGTUAQRQLNEMTB-UHFFFAOYSA-N 1 2 426.481 2.389 20 5 IEBDLO COc1cc2ncnc(N3CCCn4c(C[N@@H+](C)C(C)C)nnc4C3)c2cc1[N+](=O)[O-] ZINC001165010329 721704350 /nfs/dbraw/zinc/70/43/50/721704350.db2.gz HGTUAQRQLNEMTB-UHFFFAOYSA-N 1 2 426.481 2.389 20 5 IEBDLO CC(C)Oc1nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913744 721796565 /nfs/dbraw/zinc/79/65/65/721796565.db2.gz GSKHKJUKOUXGNV-JOCHJYFZSA-N 1 2 443.504 2.280 20 5 IEBDLO CC(C)Oc1nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)ccc1[N+](=O)[O-] ZINC001164913744 721796573 /nfs/dbraw/zinc/79/65/73/721796573.db2.gz GSKHKJUKOUXGNV-JOCHJYFZSA-N 1 2 443.504 2.280 20 5 IEBDLO O=[N+]([O-])c1ccc2ncc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912885 721771681 /nfs/dbraw/zinc/77/16/81/721771681.db2.gz RENYJNHTTIOXIW-JOCHJYFZSA-N 1 2 436.472 2.041 20 5 IEBDLO O=[N+]([O-])c1ccc2ncc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)nc2c1 ZINC001164912885 721771683 /nfs/dbraw/zinc/77/16/83/721771683.db2.gz RENYJNHTTIOXIW-JOCHJYFZSA-N 1 2 436.472 2.041 20 5 IEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)n1 ZINC001164944105 721970951 /nfs/dbraw/zinc/97/09/51/721970951.db2.gz GCGITXPFTMCERX-UHFFFAOYSA-N 1 2 430.896 2.318 20 5 IEBDLO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)n1 ZINC001164944105 721970953 /nfs/dbraw/zinc/97/09/53/721970953.db2.gz GCGITXPFTMCERX-UHFFFAOYSA-N 1 2 430.896 2.318 20 5 IEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001164705329 719847885 /nfs/dbraw/zinc/84/78/85/719847885.db2.gz VCGMTPIHFROHDT-XOBRGWDASA-N 1 2 449.895 2.424 20 5 IEBDLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718371 720240895 /nfs/dbraw/zinc/24/08/95/720240895.db2.gz FNMMOZUWPYONQU-NRFANRHFSA-N 1 2 447.923 2.461 20 5 IEBDLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C2)C1 ZINC001164718371 720240901 /nfs/dbraw/zinc/24/09/01/720240901.db2.gz FNMMOZUWPYONQU-NRFANRHFSA-N 1 2 447.923 2.461 20 5 IEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc([N+](=O)[O-])cc4F)CC3)C2=O)cs1 ZINC001164824776 720365760 /nfs/dbraw/zinc/36/57/60/720365760.db2.gz KUBNTIDLSMGMEE-UHFFFAOYSA-N 1 2 434.497 2.207 20 5 IEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc([N+](=O)[O-])cc4F)CC3)C2=O)cs1 ZINC001164824776 720365765 /nfs/dbraw/zinc/36/57/65/720365765.db2.gz KUBNTIDLSMGMEE-UHFFFAOYSA-N 1 2 434.497 2.207 20 5 IEBDLO Cc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164913317 721776662 /nfs/dbraw/zinc/77/66/62/721776662.db2.gz WKQLWTQWDYXJFJ-HXUWFJFHSA-N 1 2 433.896 2.454 20 5 IEBDLO Cc1cc(Cl)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1[N+](=O)[O-] ZINC001164913317 721776665 /nfs/dbraw/zinc/77/66/65/721776665.db2.gz WKQLWTQWDYXJFJ-HXUWFJFHSA-N 1 2 433.896 2.454 20 5 IEBDLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164707983 719867484 /nfs/dbraw/zinc/86/74/84/719867484.db2.gz XAZHAQNSKVRYQP-XMSQKQJNSA-N 1 2 441.488 2.285 20 5 IEBDLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164702398 720047642 /nfs/dbraw/zinc/04/76/42/720047642.db2.gz FRPUJJRRTHRRKM-UHFFFAOYSA-N 1 2 441.539 2.467 20 5 IEBDLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001164703309 719847527 /nfs/dbraw/zinc/84/75/27/719847527.db2.gz QFMMMUJBTUILIQ-XCLFUZPHSA-N 1 2 449.895 2.424 20 5 IEBDLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001164707978 719867342 /nfs/dbraw/zinc/86/73/42/719867342.db2.gz XAZHAQNSKVRYQP-AVRDEDQJSA-N 1 2 441.488 2.285 20 5 IEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164823287 720362743 /nfs/dbraw/zinc/36/27/43/720362743.db2.gz DGNNQUYVALTKNK-UHFFFAOYSA-N 1 2 430.534 2.376 20 5 IEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccc(C)c4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164823287 720362750 /nfs/dbraw/zinc/36/27/50/720362750.db2.gz DGNNQUYVALTKNK-UHFFFAOYSA-N 1 2 430.534 2.376 20 5 IEBDLO Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(F)cc4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164823223 720363794 /nfs/dbraw/zinc/36/37/94/720363794.db2.gz CHBPENAKPGBBBU-UHFFFAOYSA-N 1 2 434.497 2.207 20 5 IEBDLO Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(F)cc4[N+](=O)[O-])CC3)C2=O)cs1 ZINC001164823223 720363803 /nfs/dbraw/zinc/36/38/03/720363803.db2.gz CHBPENAKPGBBBU-UHFFFAOYSA-N 1 2 434.497 2.207 20 5 IEBDLO