smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@]12CC[C@@H]([NH2+]CC(=O)[O-])[C@@H]3Oc4c5c(ccc4O)C[C@H]1N(C)CC[C@]532 ZINC000003948091 204117214 /nfs/dbraw/zinc/11/72/14/204117214.db2.gz YHKUQEWICWSOTO-SWJKATBISA-N 0 3 374.437 0.873 1 0 FCAFHN NS(=O)(=O)c1cccc(Nc2nc(N3CCNCC3)nc3nc[nH]c32)c1 ZINC000053229416 136124716 /nfs/dbraw/zinc/12/47/16/136124716.db2.gz BYBPGZCXYJSTDR-UHFFFAOYSA-N 0 3 374.430 0.154 1 0 FCAFHN CCN1CCC[C@@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000029482246 487724838 /nfs/dbraw/zinc/72/48/38/487724838.db2.gz ASKAWQZDBLFFBQ-GFCCVEGCSA-N 0 3 355.460 0.899 1 0 FCAFHN CO[C@@]1(C)/C=N\CC(C)(C)NC(=O)[C@@](C)(OC)/C=N\CC(C)(C)NC1=O ZINC000105507423 206006631 /nfs/dbraw/zinc/00/66/31/206006631.db2.gz UHZFQYYITQQTCZ-NTSHWPEHSA-N 0 3 368.478 0.741 1 0 FCAFHN CN1C(=O)[C@@H]2[C@H](N=C(N3CC[C@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000036350318 205010879 /nfs/dbraw/zinc/01/08/79/205010879.db2.gz PATUVNYIKBJGHW-SOUVJXGZSA-N 0 3 356.430 0.110 1 0 FCAFHN COc1ccc(-n2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)cc1 ZINC000004238453 536550899 /nfs/dbraw/zinc/55/08/99/536550899.db2.gz FCRALQSACSRZNV-UHFFFAOYSA-N 0 3 352.398 0.902 1 0 FCAFHN COc1ccc(-n2nc3c(NC(=O)CN)nc4ccccc4n3c2=O)cc1 ZINC000084634589 205658129 /nfs/dbraw/zinc/65/81/29/205658129.db2.gz FBVZEEMDUJPBCO-UHFFFAOYSA-N 0 3 364.365 0.939 1 0 FCAFHN O=C1NC(c2ccccc2)=NC2C1=C1CCCN1[C@@]2(O)N1CCOCC1 ZINC000169305116 206249270 /nfs/dbraw/zinc/24/92/70/206249270.db2.gz RACUMTXUEMARBX-APWZRJJASA-N 0 3 354.410 0.273 1 0 FCAFHN C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@@H](C)[C@@H]1O)[C@H]23 ZINC000195514979 206332029 /nfs/dbraw/zinc/33/20/29/206332029.db2.gz FAFYHPIEFKLDSP-DWILPVADSA-N 0 3 353.415 0.244 1 0 FCAFHN CCN1CCC[C@@H]1CNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O ZINC000006936065 204282606 /nfs/dbraw/zinc/28/26/06/204282606.db2.gz HVNYTWMYVAPDBL-CQSZACIVSA-N 0 3 372.473 0.920 1 0 FCAFHN N[C@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@H]1C(=O)N1CCCC1 ZINC000036310997 205009380 /nfs/dbraw/zinc/00/93/80/205009380.db2.gz YHDXPJNBYWVGGO-XHDPSFHLSA-N 0 3 353.382 0.178 1 0 FCAFHN N[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C(=O)[C@@H]1C(=O)N1CCCC1 ZINC000040781912 205081598 /nfs/dbraw/zinc/08/15/98/205081598.db2.gz YHDXPJNBYWVGGO-ABAIWWIYSA-N 0 3 353.382 0.178 1 0 FCAFHN CCOc1c(C(=O)OC)cc(NC(=N)N)c(NC(C)=O)c1NC(=N)N ZINC000040955093 205086481 /nfs/dbraw/zinc/08/64/81/205086481.db2.gz CPPJFXMTDLFRAP-UHFFFAOYSA-N 0 3 351.367 0.441 1 0 FCAFHN CN1C(=O)[C@H]2[C@H](N=C(N3CC[C@@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000169362281 206253939 /nfs/dbraw/zinc/25/39/39/206253939.db2.gz PATUVNYIKBJGHW-RBSFLKMASA-N 0 3 356.430 0.110 1 0 FCAFHN C/C=C1/C[C@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@@H](CCN3C[C@H]2O)OC1=O ZINC000085532077 291025165 /nfs/dbraw/zinc/02/51/65/291025165.db2.gz YEXVXKIMPBHRQR-RDFAWIAYSA-N 0 3 353.415 0.244 1 0 biogenic,in-vitro FCAFHN CC1(C)NC(=N)NC(=N)N1c1cccc(N2C(=N)NC(=N)NC2(C)C)c1 ZINC000029466688 534961184 /nfs/dbraw/zinc/96/11/84/534961184.db2.gz HSYPGTAACMRDLC-UHFFFAOYSA-N 0 3 356.438 0.058 1 0 FCAFHN CN(C)CCn1c2ccccc2n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1=O ZINC000040428930 205070820 /nfs/dbraw/zinc/07/08/20/205070820.db2.gz FJXXLYMEOSLYDS-CQSZACIVSA-N 0 3 361.446 0.822 1 0 FCAFHN COCCn1c(=O)c(-c2cccs2)nc2cnc(N3CCNCC3)nc21 ZINC000004238600 132386591 /nfs/dbraw/zinc/38/65/91/132386591.db2.gz GUZSONRLTJXHCJ-UHFFFAOYSA-N 0 3 372.454 0.971 1 0 FCAFHN CCN1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1 ZINC000045369335 208332071 /nfs/dbraw/zinc/33/20/71/208332071.db2.gz YNYBKXDJIMUFAQ-UHFFFAOYSA-N 0 3 355.446 0.971 1 0 FCAFHN Cn1nc(C(N)=O)c2c1-c1nc(NCCN3CCCCC3)ncc1CC2 ZINC000045391331 208332889 /nfs/dbraw/zinc/33/28/89/208332889.db2.gz UZVSTORNWGBKAL-UHFFFAOYSA-N 0 3 355.446 0.972 1 0 FCAFHN C/C(c1cc(CNC(=O)CN)c[nH]1)=C1\c2cc(NC(N)=O)ccc2NC1=O ZINC000014962759 581091857 /nfs/dbraw/zinc/09/18/57/581091857.db2.gz WIWPGJGLUKQUKV-SXGWCWSVSA-N 0 3 368.397 0.963 1 0 FCAFHN CCOC(=O)c1ccccc1OC[C@@H](O)CNCCNC(=O)C(C)C ZINC000040465831 208254549 /nfs/dbraw/zinc/25/45/49/208254549.db2.gz BMRJGXNVPXDHFP-AWEZNQCLSA-N 0 3 352.431 0.965 1 0 FCAFHN COc1ccc(F)cc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C ZINC000095579556 209082432 /nfs/dbraw/zinc/08/24/32/209082432.db2.gz HJWFQDWOWDPIBE-UHFFFAOYSA-N 0 3 359.361 0.488 1 0 FCAFHN CC(=O)N[C@@H]1[C@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1N ZINC000096902504 209160754 /nfs/dbraw/zinc/16/07/54/209160754.db2.gz ZSJOXKCADXABSR-KJGCIYADSA-N 0 3 361.442 0.918 1 0 FCAFHN CN1CCN(c2nc(N3CCN(CCO)CC3)nc3ccccc32)CC1 ZINC000000784869 132378378 /nfs/dbraw/zinc/37/83/78/132378378.db2.gz YXCLBHFFUDSBQG-UHFFFAOYSA-N 0 3 356.474 0.496 3 0 FCAFHN CN1C(=O)[C@@H]2[C@@H](N=C(N3CC[C@H](N)C3)N2Cc2ccccc2)N(C)C1=O ZINC000036350319 208155195 /nfs/dbraw/zinc/15/51/95/208155195.db2.gz PATUVNYIKBJGHW-KKUMJFAQSA-N 0 3 356.430 0.110 1 0 FCAFHN N[C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1N1CCCC1=O ZINC000066080459 136136719 /nfs/dbraw/zinc/13/67/19/136136719.db2.gz ZFVTUVIVTMWRSE-ZFWWWQNUSA-N 0 3 369.429 0.166 1 0 FCAFHN C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O ZINC000013581521 581095567 /nfs/dbraw/zinc/09/55/67/581095567.db2.gz HRYYDNAJRUXAJE-TUUVXOQKSA-N 0 3 358.442 0.288 1 0 FCAFHN C[C@H](N)C(=O)N[C@@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O ZINC000028459346 581095621 /nfs/dbraw/zinc/09/56/21/581095621.db2.gz HRYYDNAJRUXAJE-XZDPQHSOSA-N 0 3 358.442 0.288 1 0 FCAFHN C[C@H](N)C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O ZINC000028388465 581095666 /nfs/dbraw/zinc/09/56/66/581095666.db2.gz HRYYDNAJRUXAJE-HNKHHVNMSA-N 0 3 358.442 0.288 1 0 FCAFHN CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1I ZINC000013800507 211060326 /nfs/dbraw/zinc/06/03/26/211060326.db2.gz SMBIYADAVUJYIG-UHFFFAOYSA-N 0 3 369.184 0.097 1 0 FCAFHN COCCn1c(=O)c(-c2ccccc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238435 132386514 /nfs/dbraw/zinc/38/65/14/132386514.db2.gz QRUOGGZKQQXSJV-UHFFFAOYSA-N 0 3 366.425 0.910 1 0 FCAFHN O=C(O[C@H]1CN2CCC1CC2)[C@](O)(CN1CCOCC1)c1ccccc1 ZINC000013887356 211063295 /nfs/dbraw/zinc/06/32/95/211063295.db2.gz RYWIXIGDLHGWJD-ICSRJNTNSA-N 0 3 360.454 0.844 1 0 FCAFHN CO[C@H]1N[C@H]([C@H](O)CCCCCCCC[C@H](O)CCCO)[C@@H](O)[C@@H]1O ZINC000095909871 291029671 /nfs/dbraw/zinc/02/96/71/291029671.db2.gz TWDNTWGVPATUAQ-UIGZQWRCSA-N 0 3 363.495 0.268 1 0 biogenic,in-vitro FCAFHN C/C=C1\C(=O)O[C@@H]2CCN3CC[C@@H](COC(=O)[C@](C)(O)[C@H](C)[C@@H]1O)[C@H]23 ZINC000016930731 211171992 /nfs/dbraw/zinc/17/19/92/211171992.db2.gz FAFYHPIEFKLDSP-SRZSLDCTSA-N 0 3 353.415 0.244 1 0 FCAFHN CN(C)CCn1ncc2c3nn(Cc4ccccc4)c(=O)n3c(N)nc21 ZINC000071317738 221342934 /nfs/dbraw/zinc/34/29/34/221342934.db2.gz ZTCPCFPNHRIZTE-UHFFFAOYSA-N 0 3 352.402 0.433 1 0 FCAFHN CN(C)C(=O)COc1ccc(N2C(=N)NC(=N)NC2(C)C)cc1Cl ZINC000016954729 132377782 /nfs/dbraw/zinc/37/77/82/132377782.db2.gz CUJDPDQIRFOXGW-UHFFFAOYSA-N 0 3 352.826 0.993 1 0 FCAFHN COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(C)c2=O)cc1 ZINC000004238440 132386632 /nfs/dbraw/zinc/38/66/32/132386632.db2.gz MPJRGSVAKUSIRQ-UHFFFAOYSA-N 0 3 352.398 0.809 1 0 FCAFHN O=c1[nH]cnc2c([C@@H]3N[C@H](CSc4ccccc4)[C@@H](O)[C@H]3O)c[nH]c21 ZINC000040407439 581101197 /nfs/dbraw/zinc/10/11/97/581101197.db2.gz RILVLBFFRDXSEY-JMGFVUJMSA-N 0 3 358.423 0.778 1 0 in-vivo FCAFHN CS(=O)(=O)N1CCc2[nH]cnc2C12CCN(C1CCOCC1)CC2 ZINC000091350593 663368349 /nfs/dbraw/zinc/36/83/49/663368349.db2.gz HYPOFLOXLFVHAA-UHFFFAOYSA-N 0 3 354.476 0.698 1 0 FCAFHN CCN1CCC[C@@H]1CNC(=O)c1cc(NS(=O)(=O)NC)ccc1OC ZINC000033610351 210245122 /nfs/dbraw/zinc/24/51/22/210245122.db2.gz SWBSNTSEASTOMP-CYBMUJFWSA-N 0 3 370.475 0.785 1 0 FCAFHN CNCCNC(=[NH2+])NC[C@]1(C)[C@H]2CC3=C(C(=O)[O-])[C@@H](O)C[C@]31[C@H](C)CC2 ZINC000085549045 291029462 /nfs/dbraw/zinc/02/94/62/291029462.db2.gz RPZADFJVZQVVRY-XIGDWMAMSA-N 0 3 364.490 0.908 1 0 biogenic,in-vitro FCAFHN CNC(=O)c1cc(C(F)(F)F)nn1-c1cccc(CNC(=O)CN)c1 ZINC000040918498 211764152 /nfs/dbraw/zinc/76/41/52/211764152.db2.gz SQBUQGMSTUONSL-UHFFFAOYSA-N 0 3 355.320 0.826 1 0 FCAFHN Cc1ccc(N2C(=N)NC(=N)NC2(C)C)cc1N1C(=N)NC(=N)NC1(C)C ZINC000029464677 132920494 /nfs/dbraw/zinc/92/04/94/132920494.db2.gz ZNHNOZSJEWWRCU-UHFFFAOYSA-N 0 3 370.465 0.366 1 0 FCAFHN CCN1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2 ZINC000013860952 211064317 /nfs/dbraw/zinc/06/43/17/211064317.db2.gz KYDXJSDWCPSSJZ-AAEUAGOBSA-N 0 3 367.471 0.872 1 0 FCAFHN CCN1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2 ZINC000013860953 211063885 /nfs/dbraw/zinc/06/38/85/211063885.db2.gz KYDXJSDWCPSSJZ-WCQYABFASA-N 0 3 367.471 0.872 1 0 FCAFHN CC(=O)N[C@H]1[C@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1N ZINC000013493062 211036522 /nfs/dbraw/zinc/03/65/22/211036522.db2.gz ZSJOXKCADXABSR-ZUHTVMMCSA-N 0 3 361.442 0.918 1 0 FCAFHN CC(=O)N[C@H]1[C@H]([NH2+][C@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1N ZINC000013493063 211036175 /nfs/dbraw/zinc/03/61/75/211036175.db2.gz ZSJOXKCADXABSR-JZDMUPLMSA-N 0 3 361.442 0.918 1 0 FCAFHN CC(C)CC1C(=O)N(COC(=O)c2ccccc2O)S(=O)(=O)N1C ZINC000058590763 212012596 /nfs/dbraw/zinc/01/25/96/212012596.db2.gz NKOPBWVLZWJKOM-LBPRGKRZSA-N 0 3 356.400 0.940 1 0 FCAFHN CCCC[C@H](CN([O-])C=O)C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N(C)C ZINC000013537080 211039440 /nfs/dbraw/zinc/03/94/40/211039440.db2.gz ORDOBGMGDZBKKR-CVEARBPZSA-N 0 3 372.510 0.945 1 0 FCAFHN Cn1c(=O)c2c(n(C)c1=O)NCN(CCN1CCc3ccccc3C1)C2 ZINC000020320130 211275038 /nfs/dbraw/zinc/27/50/38/211275038.db2.gz UPQYQFYUHAKLDK-UHFFFAOYSA-N 0 3 355.442 0.327 1 0 FCAFHN Nc1ncnc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)c1Cl ZINC000103238973 132237348 /nfs/dbraw/zinc/23/73/48/132237348.db2.gz AZCOXSYRCOKPBI-ZDUSSCGKSA-N 0 3 360.849 0.931 1 0 FCAFHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccco1 ZINC000014951821 581093887 /nfs/dbraw/zinc/09/38/87/581093887.db2.gz ZGNDYHOBUNOWJQ-QEJZJMRPSA-N 0 3 364.446 0.375 1 0 FCAFHN C[C@H](N)C(=O)N[C@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O ZINC000013581523 211040475 /nfs/dbraw/zinc/04/04/75/211040475.db2.gz HRYYDNAJRUXAJE-UKMLZYKCSA-N 0 3 358.442 0.288 1 0 FCAFHN CC(=O)N[C@@H]1[C@H]([NH2+][C@@H](C)CCc2ccc(O)cc2)C=C(C(=O)[O-])C[C@@H]1N ZINC000096902503 222136550 /nfs/dbraw/zinc/13/65/50/222136550.db2.gz ZSJOXKCADXABSR-ZBXQAEIJSA-N 0 3 361.442 0.918 1 0 FCAFHN COc1ccccc1OCc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)n[nH]1 ZINC000067856772 221296866 /nfs/dbraw/zinc/29/68/66/221296866.db2.gz FQQUORYWDZRVBT-GJZGRUSLSA-N 0 3 360.414 0.744 1 0 FCAFHN COc1ccccc1OCc1cc(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)[nH]n1 ZINC000067856772 221296867 /nfs/dbraw/zinc/29/68/67/221296867.db2.gz FQQUORYWDZRVBT-GJZGRUSLSA-N 0 3 360.414 0.744 1 0 FCAFHN NS(=O)(=O)c1ccc(Nc2nc(N3CCNCC3)nc3nc[nH]c32)cc1 ZINC000053229036 136124765 /nfs/dbraw/zinc/12/47/65/136124765.db2.gz VQHJWNQWBZBXEN-UHFFFAOYSA-N 0 3 374.430 0.154 1 0 FCAFHN NC(=O)c1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 ZINC000013490125 220069528 /nfs/dbraw/zinc/06/95/28/220069528.db2.gz QAICPHMNUHNDMC-WUHBCXKYSA-N 0 3 368.433 0.919 1 0 in-vivo FCAFHN CN(C)CCc1c2cc(CCN3C(=O)CNC3=O)ccc2[nH]c1C(N)=O ZINC000013557163 220073902 /nfs/dbraw/zinc/07/39/02/220073902.db2.gz UNQCIOFFAPQXQD-UHFFFAOYSA-N 0 3 357.414 0.465 1 0 FCAFHN COc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)c1 ZINC000004238412 132386530 /nfs/dbraw/zinc/38/65/30/132386530.db2.gz NEWJCTCRVUBZNM-UHFFFAOYSA-N 0 3 366.425 0.961 1 0 FCAFHN N[C@H]1CS(=O)(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@@H]1O ZINC000071317816 221343017 /nfs/dbraw/zinc/34/30/17/221343017.db2.gz CSNNEONDATWXHU-QRTLGDNMSA-N 0 3 350.234 0.430 1 0 FCAFHN N[C@H]1CN(c2cc(N3CCC(F)(F)C3)ncn2)C[C@@H]1N1CCCCC1=O ZINC000066079310 221240614 /nfs/dbraw/zinc/24/06/14/221240614.db2.gz BCHZEUXVXZHVAQ-STQMWFEESA-N 0 3 366.416 0.850 1 0 FCAFHN C[C@H](N)C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NCCc3ccccc3)N2C1=O ZINC000013581532 220076395 /nfs/dbraw/zinc/07/63/95/220076395.db2.gz YTLXVGUAOHXKBQ-HJWJTTGWSA-N 0 3 372.469 0.331 1 0 FCAFHN CC1CCC(OCCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)CC1 ZINC000066100683 221242066 /nfs/dbraw/zinc/24/20/66/221242066.db2.gz PFDXNLUZAWZWAC-WGIWXZLNSA-N 0 3 359.507 0.901 1 0 FCAFHN Cc1ccc(N2CC[C@]3(O)CCN(CCN4CCCC4=O)C[C@@H]3C2)nn1 ZINC000092038275 132205698 /nfs/dbraw/zinc/20/56/98/132205698.db2.gz IIIFMXLWRSYWCJ-VQIMIIECSA-N 0 3 359.474 0.671 1 0 FCAFHN CCN1CCC[C@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)ccc1OC ZINC000029482249 487724521 /nfs/dbraw/zinc/72/45/21/487724521.db2.gz ASKAWQZDBLFFBQ-LBPRGKRZSA-N 0 3 355.460 0.899 1 0 FCAFHN CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 ZINC000003937500 581094008 /nfs/dbraw/zinc/09/40/08/581094008.db2.gz RFCQRRDVLMEWMG-XIRDDKMYSA-N 0 3 374.485 0.782 1 0 FCAFHN Cn1c(=O)c(CCc2ccccc2)nc2cnc(N3CCNCC3)nc21 ZINC000004238543 132386579 /nfs/dbraw/zinc/38/65/79/132386579.db2.gz YAMCTSNYQQTZCI-UHFFFAOYSA-N 0 3 350.426 0.918 1 0 FCAFHN CN(C)C(=O)[C@@H](NC(=O)[C@@H](CN([O-])C=O)C[NH+]1CCCCC1)C(C)(C)C ZINC000013537028 220072323 /nfs/dbraw/zinc/07/23/23/220072323.db2.gz TZPOFWJXWXIVIH-HUUCEWRRSA-N 0 3 370.494 0.555 1 0 FCAFHN N[C@H]1CN(c2ncnc(N3CCC(F)(F)C3)n2)C[C@@H]1N1CCCCC1=O ZINC000066079312 221240657 /nfs/dbraw/zinc/24/06/57/221240657.db2.gz IGRHEHQIUFOEHV-RYUDHWBXSA-N 0 3 367.404 0.245 1 0 FCAFHN C[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O ZINC000040379922 581095599 /nfs/dbraw/zinc/09/55/99/581095599.db2.gz FHZYBAJOAPZBPA-HJWJTTGWSA-N 0 3 372.469 0.678 1 0 FCAFHN