smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](C)NCc2coc3ccccc23)c(OC)c1 ZINC000159803118 332707659 /nfs/dbraw/zinc/70/76/59/332707659.db2.gz VPLVTNYQSLDCCW-ZDUSSCGKSA-N 0 1 311.381 4.301 20 70 DIIDMN COc1ccc(C)cc1[C@@H](C)NCc1ccc(OC(C)C)nc1 ZINC000160065177 332755051 /nfs/dbraw/zinc/75/50/51/332755051.db2.gz SQKYBCKYAXTHNG-OAHLLOKOSA-N 0 1 314.429 4.037 20 70 DIIDMN CC(C)COCCN[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000160715445 333479907 /nfs/dbraw/zinc/47/99/07/333479907.db2.gz LPDMHASVXGOBBC-CQSZACIVSA-N 0 1 304.459 4.133 20 70 DIIDMN CCN(C(=O)CN[C@@H](C)c1cc2ccccc2o1)c1ccccc1 ZINC000216687847 337602800 /nfs/dbraw/zinc/60/28/00/337602800.db2.gz KREZFOFUFVZWOO-HNNXBMFYSA-N 0 1 322.408 4.137 20 70 DIIDMN Cc1cccc(NC(=O)c2ccc(Br)c(O)c2)c1C ZINC000160711554 338563025 /nfs/dbraw/zinc/56/30/25/338563025.db2.gz FVYJSUWTLDPODE-UHFFFAOYSA-N 0 1 320.186 4.024 20 70 DIIDMN Fc1cc(Cl)cc(CNCc2ccccc2OC(F)F)c1 ZINC000160817966 338566160 /nfs/dbraw/zinc/56/61/60/338566160.db2.gz KKWBJHQBXGYKFO-UHFFFAOYSA-N 0 1 315.722 4.370 20 70 DIIDMN CCc1nc(CN[C@@H](C)c2ccc(Oc3ccccc3)cc2)n[nH]1 ZINC000160403033 522349369 /nfs/dbraw/zinc/34/93/69/522349369.db2.gz IPNQKKUGFIWAMC-AWEZNQCLSA-N 0 1 322.412 4.010 20 70 DIIDMN CC[C@H](NCc1cccc(NC(C)=O)c1)c1ccc(F)cc1F ZINC000160756395 522656476 /nfs/dbraw/zinc/65/64/76/522656476.db2.gz PETVKILTFPKJNZ-SFHVURJKSA-N 0 1 318.367 4.164 20 70 DIIDMN CCCOc1ccc([C@H](C)N[C@@H](C)c2ccco2)cc1OC ZINC000160005624 332745069 /nfs/dbraw/zinc/74/50/69/332745069.db2.gz IGWMNYHICGKAIL-KBPBESRZSA-N 0 1 303.402 4.489 20 70 DIIDMN CC(C)C[C@@H](NCc1ccc(OC(C)C)nc1)c1ccccn1 ZINC000160039290 519250248 /nfs/dbraw/zinc/25/02/48/519250248.db2.gz IKBMUGODJGZNBI-GOSISDBHSA-N 0 1 313.445 4.141 20 70 DIIDMN CC(C)n1cc([C@H](C)N[C@@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451383 519981547 /nfs/dbraw/zinc/98/15/47/519981547.db2.gz JIHGEECVIRGEMA-BLLLJJGKSA-N 0 1 319.449 4.491 20 70 DIIDMN CCc1nc(C)c([C@@H](C)NCc2ccc(OC(C)C)nc2)s1 ZINC000160038166 522223449 /nfs/dbraw/zinc/22/34/49/522223449.db2.gz DPZVRDMTLSFNCG-GFCCVEGCSA-N 0 1 319.474 4.047 20 70 DIIDMN CC[C@@H](NCc1cccc(NC(C)=O)c1)c1ccc(F)cc1F ZINC000160756537 522881679 /nfs/dbraw/zinc/88/16/79/522881679.db2.gz PETVKILTFPKJNZ-GOSISDBHSA-N 0 1 318.367 4.164 20 70 DIIDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCC(C)CC3)nc2)o1 ZINC000160509927 525732844 /nfs/dbraw/zinc/73/28/44/525732844.db2.gz SOUPSUBQTAGZDH-MRXNPFEDSA-N 0 1 313.445 4.070 20 70 DIIDMN Clc1nc2ccccn2c1CN[C@@H]1CCCc2sccc21 ZINC000160971070 527007795 /nfs/dbraw/zinc/00/77/95/527007795.db2.gz IVBFIVQYFCAIAL-GFCCVEGCSA-N 0 1 317.845 4.216 20 70 DIIDMN Cc1ncc([C@H](C)N[C@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159432347 527309562 /nfs/dbraw/zinc/30/95/62/527309562.db2.gz LRRZQBRLMYWCSL-ZBEGNZNMSA-N 0 1 317.433 4.120 20 70 DIIDMN CC(C)Oc1ccc(CN[C@H](C)c2cc3ccccc3o2)cn1 ZINC000160103128 332761455 /nfs/dbraw/zinc/76/14/55/332761455.db2.gz YSEMUONOXVYPGM-CQSZACIVSA-N 0 1 310.397 4.466 20 70 DIIDMN Cc1ccc([C@@H](C)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000161040697 333786534 /nfs/dbraw/zinc/78/65/34/333786534.db2.gz AZUZEKPPYQZGAK-AUUYWEPGSA-N 0 1 315.413 4.407 20 70 DIIDMN CC(C)[C@@H](N[C@@H](C)c1ccco1)c1ccc2c(c1)OCCO2 ZINC000161035918 519799555 /nfs/dbraw/zinc/79/95/55/519799555.db2.gz UYHKYLPRWTXGTI-SCLBCKFNSA-N 0 1 301.386 4.099 20 70 DIIDMN c1ccc(CSCCCSc2nc(C3CC3)n[nH]2)cc1 ZINC000160074630 526476040 /nfs/dbraw/zinc/47/60/40/526476040.db2.gz IIZKLLBYCWGRPL-UHFFFAOYSA-N 0 1 305.472 4.098 20 70 DIIDMN c1ccc(CSCCCSc2n[nH]c(C3CC3)n2)cc1 ZINC000160074630 526476048 /nfs/dbraw/zinc/47/60/48/526476048.db2.gz IIZKLLBYCWGRPL-UHFFFAOYSA-N 0 1 305.472 4.098 20 70 DIIDMN Cc1cc([C@@H](C)NCc2cn3c(cccc3C)n2)cc(C)c1F ZINC000160344549 332784841 /nfs/dbraw/zinc/78/48/41/332784841.db2.gz YBQHGKSXKNAUFN-OAHLLOKOSA-N 0 1 311.404 4.249 20 70 DIIDMN COc1ccc(OC(F)F)c(CN[C@@H](C)c2ccccc2C)c1 ZINC000159791527 332704813 /nfs/dbraw/zinc/70/48/13/332704813.db2.gz ODYIUASNBVXZBA-ZDUSSCGKSA-N 0 1 321.367 4.456 20 70 DIIDMN CCCCOc1cccc(CN[C@H](C)c2cncc(F)c2)c1 ZINC000160829738 333670247 /nfs/dbraw/zinc/67/02/47/333670247.db2.gz HCZATDQKMHGDJJ-CQSZACIVSA-N 0 1 302.393 4.250 20 70 DIIDMN C[C@H](N[C@@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1 ZINC000159374225 525537406 /nfs/dbraw/zinc/53/74/06/525537406.db2.gz SKNWSSZYMXLLCA-KBPBESRZSA-N 0 1 314.404 4.421 20 70 DIIDMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1 ZINC000159374348 525613989 /nfs/dbraw/zinc/61/39/89/525613989.db2.gz SKNWSSZYMXLLCA-KGLIPLIRSA-N 0 1 314.404 4.421 20 70 DIIDMN Clc1nc2ccccn2c1CN[C@H]1CCCc2sccc21 ZINC000160971198 527007314 /nfs/dbraw/zinc/00/73/14/527007314.db2.gz IVBFIVQYFCAIAL-LBPRGKRZSA-N 0 1 317.845 4.216 20 70 DIIDMN CC(=O)c1ccccc1OCCN(C)[C@@H](C)c1ccc(F)cc1 ZINC000216903617 332142488 /nfs/dbraw/zinc/14/24/88/332142488.db2.gz JNMZCELHKYXRKF-AWEZNQCLSA-N 0 1 315.388 4.100 20 70 DIIDMN COc1ccc(OC(F)F)c(CN[C@H](C)c2ccccc2C)c1 ZINC000159791410 332704804 /nfs/dbraw/zinc/70/48/04/332704804.db2.gz ODYIUASNBVXZBA-CYBMUJFWSA-N 0 1 321.367 4.456 20 70 DIIDMN CCCOc1ccc([C@@H](C)N[C@@H](C)c2ccco2)cc1OC ZINC000160005471 332745082 /nfs/dbraw/zinc/74/50/82/332745082.db2.gz IGWMNYHICGKAIL-KGLIPLIRSA-N 0 1 303.402 4.489 20 70 DIIDMN CCCOc1ccc([C@H](C)N[C@H](C)c2ccco2)cc1OC ZINC000160005895 332745097 /nfs/dbraw/zinc/74/50/97/332745097.db2.gz IGWMNYHICGKAIL-UONOGXRCSA-N 0 1 303.402 4.489 20 70 DIIDMN CC(C)C[C@H](C)Oc1cc(CN[C@@H](C)c2cncs2)ccn1 ZINC000160812607 333667272 /nfs/dbraw/zinc/66/72/72/333667272.db2.gz DTPVYPJYNVJYOW-KBPBESRZSA-N 0 1 319.474 4.202 20 70 DIIDMN Cc1ccc(CN[C@@H]2CCSc3c(Cl)cccc32)cn1 ZINC000161319206 337579420 /nfs/dbraw/zinc/57/94/20/337579420.db2.gz JGBYOURZQUDCAA-OAHLLOKOSA-N 0 1 304.846 4.370 20 70 DIIDMN CCNC(=O)c1cccc(CN[C@H](C)c2ccc(Cl)s2)c1 ZINC000160169133 519898993 /nfs/dbraw/zinc/89/89/93/519898993.db2.gz CPAXSGKWFDJXHL-LLVKDONJSA-N 0 1 322.861 4.002 20 70 DIIDMN CCCCOc1cccc(CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000160833006 520903659 /nfs/dbraw/zinc/90/36/59/520903659.db2.gz HHZIUILIDRDQEU-INIZCTEOSA-N 0 1 315.461 4.494 20 70 DIIDMN Cc1ncc([C@@H](C)N[C@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159432220 527308479 /nfs/dbraw/zinc/30/84/79/527308479.db2.gz LRRZQBRLMYWCSL-BZNIZROVSA-N 0 1 317.433 4.120 20 70 DIIDMN COc1ccc([C@@H](C)NCc2cc(F)cc(Cl)c2)cc1F ZINC000160866981 338568365 /nfs/dbraw/zinc/56/83/65/338568365.db2.gz UUZRBRYDMRLJCW-SNVBAGLBSA-N 0 1 311.759 4.478 20 70 DIIDMN CC(C)n1cc([C@@H](C)N[C@@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451251 519976660 /nfs/dbraw/zinc/97/66/60/519976660.db2.gz JIHGEECVIRGEMA-MLGOLLRUSA-N 0 1 319.449 4.491 20 70 DIIDMN CC(C)n1cc([C@H](C)N[C@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451683 519980450 /nfs/dbraw/zinc/98/04/50/519980450.db2.gz JIHGEECVIRGEMA-LRDDRELGSA-N 0 1 319.449 4.491 20 70 DIIDMN Cc1ccc([C@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160775125 525943149 /nfs/dbraw/zinc/94/31/49/525943149.db2.gz XLSFDJYBDLBGIV-FXAWDEMLSA-N 0 1 322.452 4.009 20 70 DIIDMN Cc1ccc(C(=O)CCNC2(c3nccs3)CCCC2)cc1 ZINC000160633636 526043767 /nfs/dbraw/zinc/04/37/67/526043767.db2.gz KDJLHTDVVQKONW-UHFFFAOYSA-N 0 1 314.454 4.083 20 70 DIIDMN CC(=O)c1ccccc1OCCN(C)[C@H](C)c1ccc(F)cc1 ZINC000216903652 332142654 /nfs/dbraw/zinc/14/26/54/332142654.db2.gz JNMZCELHKYXRKF-CQSZACIVSA-N 0 1 315.388 4.100 20 70 DIIDMN CC(C)Oc1ccc(CN[C@@H](C)c2cc3ccccc3o2)cn1 ZINC000160102987 332761443 /nfs/dbraw/zinc/76/14/43/332761443.db2.gz YSEMUONOXVYPGM-AWEZNQCLSA-N 0 1 310.397 4.466 20 70 DIIDMN CC(C)COCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000160715309 333479852 /nfs/dbraw/zinc/47/98/52/333479852.db2.gz LPDMHASVXGOBBC-AWEZNQCLSA-N 0 1 304.459 4.133 20 70 DIIDMN Cc1ccc([C@@H](C)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)o1 ZINC000161040926 333787059 /nfs/dbraw/zinc/78/70/59/333787059.db2.gz AZUZEKPPYQZGAK-KUHUBIRLSA-N 0 1 315.413 4.407 20 70 DIIDMN Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)c2cc(F)ccc2n1 ZINC000160303239 334871926 /nfs/dbraw/zinc/87/19/26/334871926.db2.gz FKXOWNVJNKMSLS-KBXCAEBGSA-N 0 1 300.377 4.052 20 70 DIIDMN Cc1cc(C)n(-c2ccc(CN(C)Cc3ccccc3F)cc2)n1 ZINC000216653265 336263769 /nfs/dbraw/zinc/26/37/69/336263769.db2.gz SEFMFRIPIDEVSS-UHFFFAOYSA-N 0 1 323.415 4.260 20 70 DIIDMN CCCCOc1cccc(CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000160833129 520902861 /nfs/dbraw/zinc/90/28/61/520902861.db2.gz HHZIUILIDRDQEU-MRXNPFEDSA-N 0 1 315.461 4.494 20 70 DIIDMN CCc1nc(C)c([C@H](C)NCc2ccc(OC(C)C)nc2)s1 ZINC000160038282 522233925 /nfs/dbraw/zinc/23/39/25/522233925.db2.gz DPZVRDMTLSFNCG-LBPRGKRZSA-N 0 1 319.474 4.047 20 70 DIIDMN C[C@H]1CCc2nc(CN[C@@H]3CCCc4sccc43)sc2C1 ZINC000160993301 333776723 /nfs/dbraw/zinc/77/67/23/333776723.db2.gz ARBJAMRRGRKMQM-WCQYABFASA-N 0 1 318.511 4.497 20 70 DIIDMN Cc1ccc(NC(=O)CN[C@H](C)c2cc3ccccc3o2)cc1C ZINC000216685300 337600849 /nfs/dbraw/zinc/60/08/49/337600849.db2.gz NSIXPHVLIXWLIF-OAHLLOKOSA-N 0 1 322.408 4.339 20 70 DIIDMN CCc1nc(CN[C@H](C)c2ccccc2Oc2ccccc2)n[nH]1 ZINC000160402651 522355037 /nfs/dbraw/zinc/35/50/37/522355037.db2.gz JCQYJPRTABTQEI-CQSZACIVSA-N 0 1 322.412 4.010 20 70 DIIDMN Cc1ccc([C@H](C)NCc2ccc(N3CCC(C)CC3)nc2)o1 ZINC000160510054 525928632 /nfs/dbraw/zinc/92/86/32/525928632.db2.gz SOUPSUBQTAGZDH-INIZCTEOSA-N 0 1 313.445 4.070 20 70 DIIDMN Cc1ncc([C@H](C)N[C@@H]2CCSc3ccc(F)cc32)c(C)n1 ZINC000159432092 527309453 /nfs/dbraw/zinc/30/94/53/527309453.db2.gz LRRZQBRLMYWCSL-MEDUHNTESA-N 0 1 317.433 4.120 20 70 DIIDMN CC(C)Oc1ccc(CN[C@@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000160066697 519779757 /nfs/dbraw/zinc/77/97/57/519779757.db2.gz NZSBPYQHBSSNJX-NSHDSACASA-N 0 1 324.346 4.137 20 70 DIIDMN CCNC(=O)c1cccc(CN[C@H](C)c2cc3ccccc3o2)c1 ZINC000160200923 519898778 /nfs/dbraw/zinc/89/87/78/519898778.db2.gz WCEHCTUYRSFIHN-CQSZACIVSA-N 0 1 322.408 4.033 20 70 DIIDMN CCc1nc(CN[C@@H](C)c2ccccc2Oc2ccccc2)n[nH]1 ZINC000160402522 522347676 /nfs/dbraw/zinc/34/76/76/522347676.db2.gz JCQYJPRTABTQEI-AWEZNQCLSA-N 0 1 322.412 4.010 20 70 DIIDMN Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)c2cc(F)ccc2n1 ZINC000160302982 334871962 /nfs/dbraw/zinc/87/19/62/334871962.db2.gz FKXOWNVJNKMSLS-KSSFIOAISA-N 0 1 300.377 4.052 20 70 DIIDMN Cc1cc(C)cc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000216686882 337601012 /nfs/dbraw/zinc/60/10/12/337601012.db2.gz SOIQBJHWUDWLGD-HNNXBMFYSA-N 0 1 322.408 4.339 20 70 DIIDMN CC(C)Oc1ccc(CN[C@@H]2CCSc3ccccc32)cn1 ZINC000160049302 519779862 /nfs/dbraw/zinc/77/98/62/519779862.db2.gz HDCHVTGJYLPZAE-MRXNPFEDSA-N 0 1 314.454 4.196 20 70 DIIDMN CCCCOc1cccc(CN[C@@H](C)c2cnc(C)nc2C)c1 ZINC000160821704 520903361 /nfs/dbraw/zinc/90/33/61/520903361.db2.gz OVUPSAUWMWOWSJ-AWEZNQCLSA-N 0 1 313.445 4.123 20 70 DIIDMN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(C(C)C)nc3)c2C)o1 ZINC000161090593 525791564 /nfs/dbraw/zinc/79/15/64/525791564.db2.gz UAENKZCSZIPGPI-UHFFFAOYSA-N 0 1 324.384 4.057 20 70 DIIDMN COc1ccc(CN2CCC(OC(C)(C)C)CC2)cc1Cl ZINC000161230107 524024828 /nfs/dbraw/zinc/02/48/28/524024828.db2.gz ZVZMGPJNZLUNSD-UHFFFAOYSA-N 0 1 311.853 4.128 20 70 DIIDMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(OCC2CC2)c(F)c1 ZINC000159374638 525662905 /nfs/dbraw/zinc/66/29/05/525662905.db2.gz SKNWSSZYMXLLCA-ZIAGYGMSSA-N 0 1 314.404 4.421 20 70 DIIDMN Cc1ccc([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1 ZINC000160774864 525936956 /nfs/dbraw/zinc/93/69/56/525936956.db2.gz XLSFDJYBDLBGIV-PXNSSMCTSA-N 0 1 322.452 4.009 20 70 DIIDMN CC[C@@](C)(NCCC(=O)c1ccc(C)cc1)c1nc(C)cs1 ZINC000160636271 332841078 /nfs/dbraw/zinc/84/10/78/332841078.db2.gz CRXCBQNRXJSXJL-GOSISDBHSA-N 0 1 316.470 4.248 20 70 DIIDMN Cc1ccc(CN[C@H]2CCCOc3ccc(Cl)cc32)cn1 ZINC000161265066 337576790 /nfs/dbraw/zinc/57/67/90/337576790.db2.gz ZSQWNLNRAFDNHP-INIZCTEOSA-N 0 1 302.805 4.047 20 70 DIIDMN CC(C)Oc1ccc(CN[C@H](C)c2cc(F)c(F)c(F)c2)cn1 ZINC000160066815 519779893 /nfs/dbraw/zinc/77/98/93/519779893.db2.gz NZSBPYQHBSSNJX-LLVKDONJSA-N 0 1 324.346 4.137 20 70 DIIDMN CC(C)Oc1ccc(CN[C@H]2CCSc3ccccc32)cn1 ZINC000160049419 519780004 /nfs/dbraw/zinc/78/00/04/519780004.db2.gz HDCHVTGJYLPZAE-INIZCTEOSA-N 0 1 314.454 4.196 20 70 DIIDMN CCNC(=O)c1cccc(CN[C@@H](C)c2ccc(Cl)s2)c1 ZINC000160168997 519899010 /nfs/dbraw/zinc/89/90/10/519899010.db2.gz CPAXSGKWFDJXHL-NSHDSACASA-N 0 1 322.861 4.002 20 70 DIIDMN CCc1nc(CN[C@H](C)c2ccc(Oc3ccccc3)cc2)n[nH]1 ZINC000160403170 522350616 /nfs/dbraw/zinc/35/06/16/522350616.db2.gz IPNQKKUGFIWAMC-CQSZACIVSA-N 0 1 322.412 4.010 20 70 DIIDMN C[C@@H](N[C@@H](C)c1ccc(OCC2CC2)c(F)c1)c1ccccn1 ZINC000159374483 525608639 /nfs/dbraw/zinc/60/86/39/525608639.db2.gz SKNWSSZYMXLLCA-UONOGXRCSA-N 0 1 314.404 4.421 20 70 DIIDMN Brc1ccccc1CNCc1cccc2cc[nH]c21 ZINC000218164157 334074870 /nfs/dbraw/zinc/07/48/70/334074870.db2.gz MPPCBFBZYUSQMO-UHFFFAOYSA-N 0 1 315.214 4.220 20 70 DIIDMN Cc1ccc(CN[C@H]2CCSc3c(Cl)cccc32)cn1 ZINC000161319317 337579423 /nfs/dbraw/zinc/57/94/23/337579423.db2.gz JGBYOURZQUDCAA-HNNXBMFYSA-N 0 1 304.846 4.370 20 70 DIIDMN Cc1ccc(NC(=O)CN[C@@H](C)c2cc3ccccc3o2)cc1C ZINC000216685260 337600924 /nfs/dbraw/zinc/60/09/24/337600924.db2.gz NSIXPHVLIXWLIF-HNNXBMFYSA-N 0 1 322.408 4.339 20 70 DIIDMN CCNC(=O)c1cccc(CN[C@@H](C)c2cc3ccccc3o2)c1 ZINC000160200799 519898703 /nfs/dbraw/zinc/89/87/03/519898703.db2.gz WCEHCTUYRSFIHN-AWEZNQCLSA-N 0 1 322.408 4.033 20 70 DIIDMN CC(C)n1cc([C@@H](C)N[C@H]2CCSc3ccc(F)cc32)cn1 ZINC000159451529 519974076 /nfs/dbraw/zinc/97/40/76/519974076.db2.gz JIHGEECVIRGEMA-WBMJQRKESA-N 0 1 319.449 4.491 20 70 DIIDMN Cc1cccc([C@@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160777655 524830525 /nfs/dbraw/zinc/83/05/25/524830525.db2.gz JRROUGQXKKVISR-XLIONFOSSA-N 0 1 322.452 4.009 20 70 DIIDMN Cc1cccc([C@@H](C)N[C@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160777882 524831153 /nfs/dbraw/zinc/83/11/53/524831153.db2.gz JRROUGQXKKVISR-YLJYHZDGSA-N 0 1 322.452 4.009 20 70 DIIDMN Cc1cccc([C@H](C)N[C@@H](CN2CCCC2=O)c2ccccc2)c1 ZINC000160777766 524874514 /nfs/dbraw/zinc/87/45/14/524874514.db2.gz JRROUGQXKKVISR-PXNSSMCTSA-N 0 1 322.452 4.009 20 70 DIIDMN 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