smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496413697 1071495775 /nfs/dbraw/zinc/49/57/75/1071495775.db2.gz VFZVAUJZJQDWLB-UHFFFAOYSA-N 0 3 408.547 -1.425 20 30 HAEDHN C=CCN1CCC(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000553670170 1071299303 /nfs/dbraw/zinc/29/93/03/1071299303.db2.gz ZPPUFTYGWSMZLI-UHFFFAOYSA-N 0 3 419.486 -1.758 20 30 HAEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000553675928 1071299514 /nfs/dbraw/zinc/29/95/14/1071299514.db2.gz YXIFCZVSUJRGFM-UHFFFAOYSA-N 0 3 407.515 -1.244 20 30 HAEDHN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000556354101 1071515856 /nfs/dbraw/zinc/51/58/56/1071515856.db2.gz HBSYLLNCMIURBD-GOSISDBHSA-N 0 3 422.574 -1.177 20 30 HAEDHN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000556354103 1071515388 /nfs/dbraw/zinc/51/53/88/1071515388.db2.gz HBSYLLNCMIURBD-SFHVURJKSA-N 0 3 422.574 -1.177 20 30 HAEDHN C=CCNC(=O)CN1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000559833453 1071971925 /nfs/dbraw/zinc/97/19/25/1071971925.db2.gz NMUKECDGFLMMIX-UHFFFAOYSA-N 0 3 408.547 -1.423 20 30 HAEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000575891468 1072026099 /nfs/dbraw/zinc/02/60/99/1072026099.db2.gz APYGCIAAPALUHH-UHFFFAOYSA-N 0 3 421.498 -1.717 20 30 HAEDHN C=CCN1CCC(NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000577087838 1072029215 /nfs/dbraw/zinc/02/92/15/1072029215.db2.gz VWVZBZURGWXJRY-UHFFFAOYSA-N 0 3 407.515 -1.244 20 30 HAEDHN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000671171462 1071553774 /nfs/dbraw/zinc/55/37/74/1071553774.db2.gz VFBCRUMJUGLUCB-KRWDZBQOSA-N 0 3 408.547 -1.568 20 30 HAEDHN C=CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000671171463 1071553906 /nfs/dbraw/zinc/55/39/06/1071553906.db2.gz VFBCRUMJUGLUCB-QGZVFWFLSA-N 0 3 408.547 -1.568 20 30 HAEDHN C=CCN1CCC(NC(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000671358102 1071563764 /nfs/dbraw/zinc/56/37/64/1071563764.db2.gz IPZCTEJPDVPSBV-UHFFFAOYSA-N 0 3 401.533 -1.554 20 30 HAEDHN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CN(CC)CC)CC2)c1=O ZINC000728905642 1070932001 /nfs/dbraw/zinc/93/20/01/1070932001.db2.gz RTIMYJXUIWMESP-UHFFFAOYSA-N 0 3 420.514 -1.013 20 30 HAEDHN C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000738161780 1071664669 /nfs/dbraw/zinc/66/46/69/1071664669.db2.gz UUQPSEBBUWAYEM-UHFFFAOYSA-N 0 3 418.498 -1.259 20 30 HAEDHN C#CCNC(=O)CN1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 ZINC000789976982 1071700919 /nfs/dbraw/zinc/70/09/19/1071700919.db2.gz VHPCQBFJFLRWDH-UHFFFAOYSA-N 0 3 418.454 -1.023 20 30 HAEDHN C#CCNc1nc(N2CCN(C[C@@H](C)O)CC2)nc(N2CCN(C[C@H](C)O)CC2)n1 ZINC000804430367 1071707063 /nfs/dbraw/zinc/70/70/63/1071707063.db2.gz NNIKCSHGTKZIIS-CALCHBBNSA-N 0 3 418.546 -1.656 20 30 HAEDHN C#CCNc1nc(N2CCCN(CCO)CC2)nc(N2CCCN(CCO)CC2)n1 ZINC000804432090 1071707139 /nfs/dbraw/zinc/70/71/39/1071707139.db2.gz QJUVWTMYMZPJIK-UHFFFAOYSA-N 0 3 418.546 -1.653 20 30 HAEDHN C#CCNc1nc(N2CCN3CCOC[C@H]3C2)nc(N2CCN3CCOC[C@@H]3C2)n1 ZINC000804613682 1071708281 /nfs/dbraw/zinc/70/82/81/1071708281.db2.gz XHFXJPVMNGMVBY-CALCHBBNSA-N 0 3 414.514 -1.620 20 30 HAEDHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C#Cc1ccccc1 ZINC001142862443 1072134259 /nfs/dbraw/zinc/13/42/59/1072134259.db2.gz KSQPQIXRWZZALZ-VBVJRUAFSA-N 0 3 410.390 -1.555 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCNC[C@@H]1C#N)C(=O)CF ZINC001157981701 1072159288 /nfs/dbraw/zinc/15/92/88/1072159288.db2.gz HEHNHNUGNLMMBU-QCQGSNGOSA-N 0 3 412.466 -1.788 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCNC[C@H]1C#N)C(=O)CF ZINC001157981702 1072159276 /nfs/dbraw/zinc/15/92/76/1072159276.db2.gz HEHNHNUGNLMMBU-ZWUHOBOKSA-N 0 3 412.466 -1.788 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N(Cc2noc3c2CNCC3)S(C)(=O)=O)C1 ZINC001158735017 1072164889 /nfs/dbraw/zinc/16/48/89/1072164889.db2.gz KAYIOSYWSHUPIN-KOLCDFICSA-N 0 3 422.485 -1.685 20 30 HAEDHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1)CC2 ZINC001158810974 1072166195 /nfs/dbraw/zinc/16/61/95/1072166195.db2.gz MMBIKSOMFOLMSR-MCIONIFRSA-N 0 3 419.500 -1.394 20 30 HAEDHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1)CC2 ZINC001158810975 1072166397 /nfs/dbraw/zinc/16/63/97/1072166397.db2.gz MMBIKSOMFOLMSR-RDBSUJKOSA-N 0 3 419.500 -1.394 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)C1 ZINC001158821527 1072166955 /nfs/dbraw/zinc/16/69/55/1072166955.db2.gz MKERCVSODYSSPH-OLZOCXBDSA-N 0 3 414.488 -1.841 20 30 HAEDHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3)C[C@@H]21 ZINC001159202366 1072177277 /nfs/dbraw/zinc/17/72/77/1072177277.db2.gz GEVSZUSKAJKXNV-AIEDFZFUSA-N 0 3 418.516 -1.172 20 30 HAEDHN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)cn1 ZINC001159237417 1072178431 /nfs/dbraw/zinc/17/84/31/1072178431.db2.gz ZWNRWPVFHKBLAV-CBBWQLFWSA-N 0 3 411.484 -1.058 20 30 HAEDHN CCN1C[C@H]2CCN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3)CC[C@H]2S1(=O)=O ZINC001159402756 1072180668 /nfs/dbraw/zinc/18/06/68/1072180668.db2.gz DAZONQGHWCKJJE-YIYPIFLZSA-N 0 3 409.530 -1.034 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2Cc3[nH]nc(C(=O)N4CCOCC4)c3C2)C1 ZINC001159492903 1072185603 /nfs/dbraw/zinc/18/56/03/1072185603.db2.gz KZYYZIBIZWSQFF-PWSUYJOCSA-N 0 3 413.456 -1.569 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCCn3nnc(Cn4ccnc4)c3C2)C1 ZINC001159514583 1072186264 /nfs/dbraw/zinc/18/62/64/1072186264.db2.gz HLSCDLGMNNPUCP-OLZOCXBDSA-N 0 3 409.472 -1.038 20 30 HAEDHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1)C2 ZINC001159519615 1072186211 /nfs/dbraw/zinc/18/62/11/1072186211.db2.gz KCCPCEQHOBDEHS-OLZOCXBDSA-N 0 3 414.488 -1.305 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2C[C@@H](NC(=O)C3CCC3)[C@H]3COC[C@H]32)C1 ZINC001159598933 1072187319 /nfs/dbraw/zinc/18/73/19/1072187319.db2.gz GVQLBYMJDPZWOG-UXXRCYHCSA-N 0 3 401.485 -1.165 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@H]3O[C@H](C(=O)NCC4CC4)C[C@H]32)C1 ZINC001159768988 1072193035 /nfs/dbraw/zinc/19/30/35/1072193035.db2.gz FFXAFHXSTQYTLJ-KHMAMNHCSA-N 0 3 401.485 -1.022 20 30 HAEDHN COCCN1CCO[C@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3)CC[C@H]2C1=O ZINC001159918179 1072194269 /nfs/dbraw/zinc/19/42/69/1072194269.db2.gz SFZNELOVOFRXIV-KBXIAJHMSA-N 0 3 419.500 -1.585 20 30 HAEDHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H](OS(C)(=O)=O)CN3)C[C@H]2C1 ZINC001160007002 1072195617 /nfs/dbraw/zinc/19/56/17/1072195617.db2.gz AFNAASPONFMGJS-RQJABVFESA-N 0 3 424.545 -1.720 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCCn3c(Cn4cccn4)nnc3C2)C1 ZINC001160192852 1072202037 /nfs/dbraw/zinc/20/20/37/1072202037.db2.gz JIAIMDYHCOJPQW-OLZOCXBDSA-N 0 3 409.472 -1.038 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN[C@H](C#N)C1)C(=O)CF ZINC001160652848 1072212336 /nfs/dbraw/zinc/21/23/36/1072212336.db2.gz OGHQVJXVZCSXRC-ZWUHOBOKSA-N 0 3 412.466 -1.788 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@@H](C#N)C1)C(=O)CF ZINC001160879912 1072216712 /nfs/dbraw/zinc/21/67/12/1072216712.db2.gz VIOSIVJBRKIHFK-QCQGSNGOSA-N 0 3 413.450 -1.361 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCO[C@H](C#N)C1)C(=O)CF ZINC001160879913 1072216683 /nfs/dbraw/zinc/21/66/83/1072216683.db2.gz VIOSIVJBRKIHFK-ZWUHOBOKSA-N 0 3 413.450 -1.361 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@@H]1C#N)C(=O)CF ZINC001160933326 1072217302 /nfs/dbraw/zinc/21/73/02/1072217302.db2.gz JFMNHDXSIHNVKW-QCQGSNGOSA-N 0 3 413.450 -1.361 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@H]1C#N)C(=O)CF ZINC001160933327 1072217170 /nfs/dbraw/zinc/21/71/70/1072217170.db2.gz JFMNHDXSIHNVKW-ZWUHOBOKSA-N 0 3 413.450 -1.361 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068451 1072217976 /nfs/dbraw/zinc/21/79/76/1072217976.db2.gz RFGXFPQMIGFJOM-UPJWGTAASA-N 0 3 418.497 -1.333 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)C1 ZINC001161068452 1072218075 /nfs/dbraw/zinc/21/80/75/1072218075.db2.gz RFGXFPQMIGFJOM-XQQFMLRXSA-N 0 3 418.497 -1.333 20 30 HAEDHN CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)C1 ZINC001161269961 1072221855 /nfs/dbraw/zinc/22/18/55/1072221855.db2.gz ORLLVBNKMCNPSH-KGLIPLIRSA-N 0 3 404.489 -1.274 20 30 HAEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171942975 1071779769 /nfs/dbraw/zinc/77/97/69/1071779769.db2.gz MOHIMXFPMBZQJP-HZSPNIEDSA-N 0 3 404.496 -1.024 20 30 HAEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)CC1 ZINC001171942976 1071779779 /nfs/dbraw/zinc/77/97/79/1071779779.db2.gz MOHIMXFPMBZQJP-MELADBBJSA-N 0 3 404.496 -1.024 20 30 HAEDHN N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171942977 1071779740 /nfs/dbraw/zinc/77/97/40/1071779740.db2.gz MOHIMXFPMBZQJP-MGPQQGTHSA-N 0 3 404.496 -1.024 20 30 HAEDHN N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](C(N)=O)[C@H](C(N)=O)C2)CC1 ZINC001171942978 1071779796 /nfs/dbraw/zinc/77/97/96/1071779796.db2.gz MOHIMXFPMBZQJP-MJBXVCDLSA-N 0 3 404.496 -1.024 20 30 HAEDHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C#Cc1cccnc1 ZINC001177781153 1071790831 /nfs/dbraw/zinc/79/08/31/1071790831.db2.gz KIFULOSKEDUBHB-PCYKNENESA-N 0 3 411.378 -2.160 20 30 HAEDHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C#Cc1ccccn1 ZINC001177806215 1071790615 /nfs/dbraw/zinc/79/06/15/1071790615.db2.gz ZFCVBHFRKRVBFO-PCYKNENESA-N 0 3 411.378 -2.160 20 30 HAEDHN C=C(CN1CCCC1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001183080584 1071818979 /nfs/dbraw/zinc/81/89/79/1071818979.db2.gz UTGBWADOOHVGHS-YAMOITTJSA-N 0 3 419.442 -1.955 20 30 HAEDHN C#Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001188739911 1071860400 /nfs/dbraw/zinc/86/04/00/1071860400.db2.gz PVSOMRCFIKWHAY-LZDVPDMXSA-N 0 3 410.390 -1.577 20 30 HAEDHN C#Cc1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001191116736 1071869043 /nfs/dbraw/zinc/86/90/43/1071869043.db2.gz MCTWRGQMNTUAKS-LZDVPDMXSA-N 0 3 410.390 -1.577 20 30 HAEDHN CCOC(=O)CON=C(C(=O)NCCS(=O)(=O)N1CCNCC1)c1ccn[nH]1 ZINC001219676355 1072258000 /nfs/dbraw/zinc/25/80/00/1072258000.db2.gz HDXOHLJHSLSJQQ-ZHZULCJRSA-N 0 3 416.460 -1.955 20 30 HAEDHN C=C[C@@H]1C[C@]1(N)C(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001220514686 1072269708 /nfs/dbraw/zinc/26/97/08/1072269708.db2.gz UEDLJPNLVGLQLI-GDIQKQRLSA-N 0 3 403.443 -1.469 20 30 HAEDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C#N)C(N)=O ZINC001220527113 1072269586 /nfs/dbraw/zinc/26/95/86/1072269586.db2.gz DUYSOSMQTDEMEB-DZKIICNBSA-N 0 3 402.455 -1.693 20 30 HAEDHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)C(N)=O ZINC001220527117 1072269645 /nfs/dbraw/zinc/26/96/45/1072269645.db2.gz DUYSOSMQTDEMEB-LZWOXQAQSA-N 0 3 402.455 -1.693 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H](C#N)C(N)=O)C(=O)CF ZINC001220528094 1072270166 /nfs/dbraw/zinc/27/01/66/1072270166.db2.gz YXHKEMRXGTZVLE-XHSYRHOGSA-N 0 3 400.411 -2.618 20 30 HAEDHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H](C#N)C(N)=O)C(=O)CF ZINC001220528095 1072270486 /nfs/dbraw/zinc/27/04/86/1072270486.db2.gz YXHKEMRXGTZVLE-YVNDNENWSA-N 0 3 400.411 -2.618 20 30 HAEDHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(C(=O)c2ccccc2C#N)CC1 ZINC001220915332 1072273705 /nfs/dbraw/zinc/27/37/05/1072273705.db2.gz WSKCLTGYFWEKKB-LRDDRELGSA-N 0 3 414.466 -1.014 20 30 HAEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC001227137112 1072286636 /nfs/dbraw/zinc/28/66/36/1072286636.db2.gz PUIHCKXCFIZDNH-UHFFFAOYSA-N 0 3 400.549 -1.193 20 30 HAEDHN N#CCNC(=O)CNCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267002362 1070845648 /nfs/dbraw/zinc/84/56/48/1070845648.db2.gz JYRQNXZYWYKQDG-CNRFMZSYSA-N 0 3 403.483 -1.006 20 30 HAEDHN N#CCNC(=O)CNCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001267002363 1070846033 /nfs/dbraw/zinc/84/60/33/1070846033.db2.gz JYRQNXZYWYKQDG-NTCWUJLTSA-N 0 3 403.483 -1.006 20 30 HAEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC001311977668 1072379859 /nfs/dbraw/zinc/37/98/59/1072379859.db2.gz VMFJJIUERWPDHW-INIZCTEOSA-N 0 3 400.549 -1.335 20 30 HAEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC001311977675 1072379716 /nfs/dbraw/zinc/37/97/16/1072379716.db2.gz VMFJJIUERWPDHW-MRXNPFEDSA-N 0 3 400.549 -1.335 20 30 HAEDHN C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC001468864600 1072528165 /nfs/dbraw/zinc/52/81/65/1072528165.db2.gz CFDAJJVKFQBEPW-UHFFFAOYSA-N 0 3 400.549 -1.191 20 30 HAEDHN C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001673203446 1072779610 /nfs/dbraw/zinc/77/96/10/1072779610.db2.gz VTWXFOZWLKRHBD-UHFFFAOYSA-N 0 3 400.549 -1.239 20 30 HAEDHN