smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-n2ccc(C3OCCO3)c2)cc1 ZINC000216700094 178345564 /nfs/dbraw/zinc/34/55/64/178345564.db2.gz HGQBRMZHCNLXAY-UHFFFAOYSA-N 0 0 229.279 2.831 40 70 BFIBRN NC(=S)[C@H]1CCC2(C1)SCCCS2 ZINC000217904968 188008720 /nfs/dbraw/zinc/00/87/20/188008720.db2.gz BAOGPPKXXYLUEX-ZETCQYMHSA-N 0 0 233.427 2.639 40 70 BFIBRN CCN(CC)C(=O)c1ccc2c(c1)CC[C@H](C)N2 ZINC000217515879 388374888 /nfs/dbraw/zinc/37/48/88/388374888.db2.gz UGQVWWADXIRLEX-NSHDSACASA-N 0 0 246.354 2.915 40 70 BFIBRN COC(=O)c1ccc(Cc2ccccc2C)[nH]1 ZINC000217658171 388378382 /nfs/dbraw/zinc/37/83/82/388378382.db2.gz KLSNSYBTXIAQFE-UHFFFAOYSA-N 0 0 229.279 2.701 40 70 BFIBRN COC(=O)c1ccc(Cc2ccc(C)cc2)[nH]1 ZINC000217658370 385889529 /nfs/dbraw/zinc/88/95/29/385889529.db2.gz PQIUKTWPOQAEEE-UHFFFAOYSA-N 0 0 229.279 2.701 40 70 BFIBRN COC(=O)c1ccc(Cc2cccc(F)c2)[nH]1 ZINC000217658594 388378558 /nfs/dbraw/zinc/37/85/58/388378558.db2.gz YHKQLXNMOJAWGC-UHFFFAOYSA-N 0 0 233.242 2.531 40 70 BFIBRN CCN(CC)C(=O)c1ccc2c(c1)CC[C@@H](C)N2 ZINC000217515959 169761127 /nfs/dbraw/zinc/76/11/27/169761127.db2.gz UGQVWWADXIRLEX-LLVKDONJSA-N 0 0 246.354 2.915 40 70 BFIBRN C[C@H]1CCc2cc(C(=O)N3CCCC3)ccc2N1 ZINC000217516149 177209273 /nfs/dbraw/zinc/20/92/73/177209273.db2.gz XLQXYZRNVGQRNO-NSHDSACASA-N 0 0 244.338 2.669 40 70 BFIBRN Cc1ccccc1-c1noc([C@@H]2CCCO2)n1 ZINC000160862155 179240738 /nfs/dbraw/zinc/24/07/38/179240738.db2.gz IYSYNHXQYLVJKG-NSHDSACASA-N 0 0 230.267 2.897 40 70 BFIBRN Cc1ccccc1-n1ccc(C2OCCO2)c1 ZINC000216699588 179241559 /nfs/dbraw/zinc/24/15/59/179241559.db2.gz ZQEYBBAMMOXNPQ-UHFFFAOYSA-N 0 0 229.279 2.831 40 70 BFIBRN CC(C)Cn1cc(NC2=NCCCC2)cn1 ZINC000217806058 188355689 /nfs/dbraw/zinc/35/56/89/188355689.db2.gz WYAPRYHKCDFPEC-UHFFFAOYSA-N 0 0 220.320 2.533 40 70 BFIBRN Fc1ccccc1-n1ccc(C2OCCO2)c1 ZINC000216700357 181009980 /nfs/dbraw/zinc/00/99/80/181009980.db2.gz VVIQLFPPTLPQEL-UHFFFAOYSA-N 0 0 233.242 2.662 40 70 BFIBRN CSc1nc(N)cc(-c2ccccc2C)n1 ZINC000217366822 385881653 /nfs/dbraw/zinc/88/16/53/385881653.db2.gz KXRXENNYKVIKSZ-UHFFFAOYSA-N 0 0 231.324 2.756 40 70 BFIBRN c1nn(CC2CCCC2)cc1NC1=NCCC1 ZINC000217804767 388381594 /nfs/dbraw/zinc/38/15/94/388381594.db2.gz VLDVTHSMLSRQLM-UHFFFAOYSA-N 0 0 232.331 2.678 40 70 BFIBRN Cc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1C ZINC000217829560 388382260 /nfs/dbraw/zinc/38/22/60/388382260.db2.gz IURURYPXIJLNBT-MNOVXSKESA-N 0 0 214.268 2.614 40 70 BFIBRN Cc1ccc(CC(=O)N2CCCC[C@@H]2C)c(N)c1 ZINC000217778181 385891927 /nfs/dbraw/zinc/89/19/27/385891927.db2.gz QZTNYMINZIYAOB-LBPRGKRZSA-N 0 0 246.354 2.521 40 70 BFIBRN Cc1ccc(N)c(CC(=O)NC2CCCCC2)c1 ZINC000217786438 385893093 /nfs/dbraw/zinc/89/30/93/385893093.db2.gz FVLLCKWHENTINU-UHFFFAOYSA-N 0 0 246.354 2.569 40 70 BFIBRN CSc1nc(N)cc(-c2ccc(C)cc2)n1 ZINC000217366927 385882069 /nfs/dbraw/zinc/88/20/69/385882069.db2.gz CQYXFSMEECTKQF-UHFFFAOYSA-N 0 0 231.324 2.756 40 70 BFIBRN CCCn1cc(NC2=NCCCCC2)cn1 ZINC000217812833 388381584 /nfs/dbraw/zinc/38/15/84/388381584.db2.gz GODQHOVAMJPQLH-UHFFFAOYSA-N 0 0 220.320 2.678 40 70 BFIBRN CC(C)n1cc(NC2=NCCCCC2)cn1 ZINC000217812938 388381760 /nfs/dbraw/zinc/38/17/60/388381760.db2.gz ZCKBRUMRTSQEFY-UHFFFAOYSA-N 0 0 220.320 2.848 40 70 BFIBRN CC(=O)N[C@]12C[C@H]3C[C@@H]4[C@H]5C[C@H](C[C@@H]1[C@H]5C3)C[C@@H]42 ZINC000217419268 187318955 /nfs/dbraw/zinc/31/89/55/187318955.db2.gz XADNPTMHMQGTJZ-NIYTWXOMSA-N 0 0 245.366 2.583 40 70 BFIBRN Cc1ccccc1-c1noc([C@H]2CCCO2)n1 ZINC000216668346 179240864 /nfs/dbraw/zinc/24/08/64/179240864.db2.gz IYSYNHXQYLVJKG-LLVKDONJSA-N 0 0 230.267 2.897 40 70 BFIBRN Cc1ncc(-c2nc(-c3cccs3)c[nH]2)cn1 ZINC000216628562 180121425 /nfs/dbraw/zinc/12/14/25/180121425.db2.gz FVMKYWMPCWVTTG-UHFFFAOYSA-N 0 0 242.307 2.904 40 70 BFIBRN c1cn(-c2ccccc2)cc1C1OCCO1 ZINC000216699526 183385981 /nfs/dbraw/zinc/38/59/81/183385981.db2.gz FUDGYIAICYOQTL-UHFFFAOYSA-N 0 0 215.252 2.523 40 70 BFIBRN CCCn1nc(C)c(NC2=NCCC2)c1C ZINC000217804099 169624479 /nfs/dbraw/zinc/62/44/79/169624479.db2.gz IHQDVVWYYKXKQU-UHFFFAOYSA-N 0 0 220.320 2.514 40 70 BFIBRN CCC(=O)n1c(C)c(C(=O)OC)c2ccccc21 ZINC000216949107 168258617 /nfs/dbraw/zinc/25/86/17/168258617.db2.gz YTHCRWFNURVAQR-UHFFFAOYSA-N 0 0 245.278 2.787 40 70 BFIBRN CCOC(=O)c1coc(C(OCC)OCC)c1 ZINC000217704096 170304321 /nfs/dbraw/zinc/30/43/21/170304321.db2.gz BUALPGMLUCXUAC-UHFFFAOYSA-N 0 0 242.271 2.528 40 70 BFIBRN COc1cccc(-n2ccc(C3OCCO3)c2)c1 ZINC000216700480 175238330 /nfs/dbraw/zinc/23/83/30/175238330.db2.gz XBHOSKLIDRKEEN-UHFFFAOYSA-N 0 0 245.278 2.531 40 70 BFIBRN CC(C)(C)Nc1ncc(C(F)(F)F)cn1 ZINC000218730836 386512775 /nfs/dbraw/zinc/51/27/75/386512775.db2.gz TWIONZCOPCRENT-UHFFFAOYSA-N 0 0 219.210 2.706 40 70 BFIBRN CC(C)c1ccc(/C=C/c2nnc(N)o2)cc1 ZINC000216747360 386801692 /nfs/dbraw/zinc/80/16/92/386801692.db2.gz VKOUZFTUEBTSFW-VMPITWQZSA-N 0 0 229.283 2.946 40 70 BFIBRN CC(C)(C)OC(=O)c1cncc(C(F)F)c1 ZINC000217479055 388373880 /nfs/dbraw/zinc/37/38/80/388373880.db2.gz LTTLIZAPMDQNNY-UHFFFAOYSA-N 0 0 229.226 2.975 40 70 BFIBRN Fc1ccc(-n2ccc(C3OCCO3)c2)cc1 ZINC000216700420 398093435 /nfs/dbraw/zinc/09/34/35/398093435.db2.gz ZLZHGRHRXSEVNN-UHFFFAOYSA-N 0 0 233.242 2.662 40 70 BFIBRN CCC(=O)C1=C(O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000217800067 168252067 /nfs/dbraw/zinc/25/20/67/168252067.db2.gz DQYYHKHSFKGKOZ-IYYTYJHQSA-N 0 0 208.301 2.607 40 70 BFIBRN CCC(=O)C1=C(O)[C@@]2(C)CC[C@@H]1C2(C)C ZINC000217800152 168253370 /nfs/dbraw/zinc/25/33/70/168253370.db2.gz DQYYHKHSFKGKOZ-GMOODISLSA-N 0 0 208.301 2.607 40 70 BFIBRN CCC(C)(C)NC(=S)Nc1ccncc1 ZINC000218279125 168297960 /nfs/dbraw/zinc/29/79/60/168297960.db2.gz YCPIEAMZOSMPCB-UHFFFAOYSA-N 0 0 223.345 2.557 40 70 BFIBRN CC(C)(C)OC(=O)NCc1cnc2c(c1)CCC2 ZINC000217782710 398323978 /nfs/dbraw/zinc/32/39/78/398323978.db2.gz KIRFBXLNWDGPJY-UHFFFAOYSA-N 0 0 248.326 2.595 40 70 BFIBRN Cc1cccc(-n2ccc(C3OCCO3)c2)c1 ZINC000216699656 179001088 /nfs/dbraw/zinc/00/10/88/179001088.db2.gz MWUIRIGCAFOXJH-UHFFFAOYSA-N 0 0 229.279 2.831 40 70 BFIBRN Fc1cccc(-n2ccc(C3OCCO3)c2)c1 ZINC000216701256 398093423 /nfs/dbraw/zinc/09/34/23/398093423.db2.gz RQAAPPUXFIYUCX-UHFFFAOYSA-N 0 0 233.242 2.662 40 70 BFIBRN c1cn(Cc2ccccc2)nc1-c1ccncc1 ZINC000216694366 398093570 /nfs/dbraw/zinc/09/35/70/398093570.db2.gz BCNAWFWWKZMJKG-UHFFFAOYSA-N 0 0 235.290 2.993 40 70 BFIBRN Cc1ccc(N)c(CC(=O)N2CCCC[C@@H]2C)c1 ZINC000217784627 178704450 /nfs/dbraw/zinc/70/44/50/178704450.db2.gz FXPBOCRNLBQTCI-LBPRGKRZSA-N 0 0 246.354 2.521 40 70 BFIBRN CCCCn1cc(NC2=NCCCC2)cn1 ZINC000217806384 169036256 /nfs/dbraw/zinc/03/62/56/169036256.db2.gz IYPCHGFFDVFBLI-UHFFFAOYSA-N 0 0 220.320 2.678 40 70 BFIBRN CCCCn1nc(C)c(NC2=NCCC2)c1C ZINC000217804567 169037925 /nfs/dbraw/zinc/03/79/25/169037925.db2.gz PPKZJCPVZWFMNF-UHFFFAOYSA-N 0 0 234.347 2.904 40 70 BFIBRN Cc1ccc(N)c(CC(=O)OC2CCCC2)c1 ZINC000217782645 385892264 /nfs/dbraw/zinc/89/22/64/385892264.db2.gz BENYFLYGVOPCPP-UHFFFAOYSA-N 0 0 233.311 2.606 40 70 BFIBRN COC(=O)c1ccnc(C2CCCCC2)c1 ZINC000217629808 388378787 /nfs/dbraw/zinc/37/87/87/388378787.db2.gz FLVLQWBHTRERDG-UHFFFAOYSA-N 0 0 219.284 2.916 40 70 BFIBRN CCCc1ccc(C2=NNC(=O)[C@H]3C[C@@H]23)cc1 ZINC000217829943 388382600 /nfs/dbraw/zinc/38/26/00/388382600.db2.gz JJESZHQFEYFJKX-NEPJUHHUSA-N 0 0 228.295 2.949 40 70 BFIBRN NC(=S)[C@@H]1CCC2(C1)SCCCS2 ZINC000217904899 398324630 /nfs/dbraw/zinc/32/46/30/398324630.db2.gz BAOGPPKXXYLUEX-SSDOTTSWSA-N 0 0 233.427 2.639 40 70 BFIBRN Cc1cccc(-c2noc([C@H]3CCCO3)n2)c1 ZINC000216668456 179000386 /nfs/dbraw/zinc/00/03/86/179000386.db2.gz HCJZFOXGZFTEPK-LLVKDONJSA-N 0 0 230.267 2.897 40 70 BFIBRN CC(=O)NCC1(c2ccsc2)CCCC1 ZINC000217479241 219874958 /nfs/dbraw/zinc/87/49/58/219874958.db2.gz VMLBPYKRQIWRGR-UHFFFAOYSA-N 0 0 223.341 2.696 40 70 BFIBRN CC1(C)CC[C@@H](Cn2cnc3c2CCCC3)O1 ZINC000161458071 369094722 /nfs/dbraw/zinc/09/47/22/369094722.db2.gz YIGUOJALZVRDAK-NSHDSACASA-N 0 0 234.343 2.720 40 70 BFIBRN CCCc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1 ZINC000217830001 388382749 /nfs/dbraw/zinc/38/27/49/388382749.db2.gz JJESZHQFEYFJKX-NWDGAFQWSA-N 0 0 228.295 2.949 40 70 BFIBRN Cc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 ZINC000216668412 350009548 /nfs/dbraw/zinc/00/95/48/350009548.db2.gz HCJZFOXGZFTEPK-NSHDSACASA-N 0 0 230.267 2.897 40 70 BFIBRN CCOc1ccc(C)c2sc(N)nc21 ZINC000216876267 385875360 /nfs/dbraw/zinc/87/53/60/385875360.db2.gz HXXHRGLTHKVHDO-UHFFFAOYSA-N 0 0 208.286 2.586 40 70 BFIBRN CSc1nc(N)cc(-c2ccc(F)cc2)n1 ZINC000217367044 385882022 /nfs/dbraw/zinc/88/20/22/385882022.db2.gz WMNRWFCIVISFLU-UHFFFAOYSA-N 0 0 235.287 2.587 40 70 BFIBRN COC(=O)c1ccc(Cc2ccc(F)cc2)[nH]1 ZINC000217658705 388378648 /nfs/dbraw/zinc/37/86/48/388378648.db2.gz DWCNSGKKNSATOL-UHFFFAOYSA-N 0 0 233.242 2.531 40 70 BFIBRN COC(=O)c1ccc(Cc2cccc(C)c2)[nH]1 ZINC000217658266 388378776 /nfs/dbraw/zinc/37/87/76/388378776.db2.gz YDRUZQQYEOBJNX-UHFFFAOYSA-N 0 0 229.279 2.701 40 70 BFIBRN c1csc(Cn2cc(NC3=NCCC3)cn2)c1 ZINC000217805397 388381837 /nfs/dbraw/zinc/38/18/37/388381837.db2.gz YCMQIZKMISGPIN-UHFFFAOYSA-N 0 0 246.339 2.597 40 70 BFIBRN Cc1ccc(CC(=O)OC2CCCC2)c(N)c1 ZINC000217776368 178523918 /nfs/dbraw/zinc/52/39/18/178523918.db2.gz UMPQYHAEIANARH-UHFFFAOYSA-N 0 0 233.311 2.606 40 70 BFIBRN CC(C)CCn1cc(NC2=NCCCC2)cn1 ZINC000217806492 372014517 /nfs/dbraw/zinc/01/45/17/372014517.db2.gz SIKYRQFJYXPSOV-UHFFFAOYSA-N 0 0 234.347 2.924 40 70 BFIBRN Cc1ccc(CC(=O)OC2CCCCC2)c(N)c1 ZINC000217776480 385892030 /nfs/dbraw/zinc/89/20/30/385892030.db2.gz KKHKUCMZRVXNDU-UHFFFAOYSA-N 0 0 247.338 2.996 40 70 BFIBRN Cc1ccc(CC(=O)N2CCCCCC2)c(N)c1 ZINC000217779654 385893271 /nfs/dbraw/zinc/89/32/71/385893271.db2.gz SIHSVRNJAYUNQA-UHFFFAOYSA-N 0 0 246.354 2.522 40 70 BFIBRN CCOC(=O)c1ccc(SCC)nc1C ZINC000218266225 170297588 /nfs/dbraw/zinc/29/75/88/170297588.db2.gz CFVPHZOXOOONLE-UHFFFAOYSA-N 0 0 225.313 2.679 40 70 BFIBRN Cc1nn(CC(C)C)c(C)c1NC1=NCCC1 ZINC000217804301 180386034 /nfs/dbraw/zinc/38/60/34/180386034.db2.gz HIRPLKZDTPSQPY-UHFFFAOYSA-N 0 0 234.347 2.760 40 70 BFIBRN COC(=O)c1c(OC)ccc2ccc(OC)cc21 ZINC000216825398 387007542 /nfs/dbraw/zinc/00/75/42/387007542.db2.gz MUIQARHVUGIPOA-UHFFFAOYSA-N 0 0 246.262 2.644 40 70 BFIBRN C[C@@H]1CCc2cc(C(=O)N3CCCC3)ccc2N1 ZINC000217516064 176239797 /nfs/dbraw/zinc/23/97/97/176239797.db2.gz XLQXYZRNVGQRNO-LLVKDONJSA-N 0 0 244.338 2.669 40 70 BFIBRN Cc1ccc(N)c(CC(=O)OC2CCCCC2)c1 ZINC000217782764 178703392 /nfs/dbraw/zinc/70/33/92/178703392.db2.gz VQNVPZBGRIBXNA-UHFFFAOYSA-N 0 0 247.338 2.996 40 70 BFIBRN Fc1cnc(NCc2ccccc2)c(F)c1 ZINC000161093548 181018329 /nfs/dbraw/zinc/01/83/29/181018329.db2.gz HDDNCHMUEHEDAG-UHFFFAOYSA-N 0 0 220.222 2.972 40 70 BFIBRN CC1(C)CC[C@H](Cn2cnc3c2CCCC3)O1 ZINC000161457947 369095343 /nfs/dbraw/zinc/09/53/43/369095343.db2.gz YIGUOJALZVRDAK-LLVKDONJSA-N 0 0 234.343 2.720 40 70 BFIBRN Cc1ccc(N)c(CC(=O)N2CCCCCC2)c1 ZINC000217786105 385892892 /nfs/dbraw/zinc/89/28/92/385892892.db2.gz RQSOHIREWJNGAP-UHFFFAOYSA-N 0 0 246.354 2.522 40 70 BFIBRN Cc1ccc(N)c(CC(=O)N2CCCC[C@H]2C)c1 ZINC000217784711 385892937 /nfs/dbraw/zinc/89/29/37/385892937.db2.gz FXPBOCRNLBQTCI-GFCCVEGCSA-N 0 0 246.354 2.521 40 70 BFIBRN COC(=O)c1ccc(Cc2ccccc2F)[nH]1 ZINC000217658480 388378644 /nfs/dbraw/zinc/37/86/44/388378644.db2.gz PLGBYNRUSDQDHN-UHFFFAOYSA-N 0 0 233.242 2.531 40 70 BFIBRN c1nn(Cc2ccccc2)cc1NC1=NCCC1 ZINC000217804943 388382248 /nfs/dbraw/zinc/38/22/48/388382248.db2.gz JDAQALGUZDLOEQ-UHFFFAOYSA-N 0 0 240.310 2.536 40 70 BFIBRN Cc1ccc(C2=NNC(=O)[C@@H]3C[C@H]23)cc1C ZINC000217829638 388382607 /nfs/dbraw/zinc/38/26/07/388382607.db2.gz IURURYPXIJLNBT-WDEREUQCSA-N 0 0 214.268 2.614 40 70 BFIBRN COc1ccccc1-n1ccc(C2OCCO2)c1 ZINC000216700738 175313092 /nfs/dbraw/zinc/31/30/92/175313092.db2.gz YDNWGZQFFHULNY-UHFFFAOYSA-N 0 0 245.278 2.531 40 70 BFIBRN NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 ZINC000216923928 181228070 /nfs/dbraw/zinc/22/80/70/181228070.db2.gz JSUQWDIAQZRZGU-UHFFFAOYSA-N 0 0 233.242 2.504 40 70 BFIBRN c1cc(-c2ccc3c(c2)OCCO3)ccn1 ZINC000217570102 183329202 /nfs/dbraw/zinc/32/92/02/183329202.db2.gz NNXYSVFDOZZEGO-UHFFFAOYSA-N 0 0 213.236 2.520 40 70 BFIBRN c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000216693278 398093550 /nfs/dbraw/zinc/09/35/50/398093550.db2.gz HVDOPFQCCLUIQV-UHFFFAOYSA-N 0 0 235.290 2.993 40 70 BFIBRN CC(C)(C)Nc1ncncc1C(F)(F)F ZINC000218729822 166640174 /nfs/dbraw/zinc/64/01/74/166640174.db2.gz FEWCVWGPWULHGU-UHFFFAOYSA-N 0 0 219.210 2.706 40 70 BFIBRN CC(C)(O)c1ccc2c(c1)OCC(C)(C)CO2 ZINC000216950657 350024670 /nfs/dbraw/zinc/02/46/70/350024670.db2.gz VJPZRKRLOKKHNV-UHFFFAOYSA-N 0 0 236.311 2.711 40 70 BFIBRN CSC1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC000217636650 371990031 /nfs/dbraw/zinc/99/00/31/371990031.db2.gz VHYZKXIIDZBGAK-ZACCUICWSA-N 0 0 241.400 2.918 40 70 BFIBRN Cc1ccc(CC(=O)N2CCCC[C@H]2C)c(N)c1 ZINC000217778268 385892025 /nfs/dbraw/zinc/89/20/25/385892025.db2.gz QZTNYMINZIYAOB-GFCCVEGCSA-N 0 0 246.354 2.521 40 70 BFIBRN Cc1ccc(CC(=O)NC2CCCCC2)c(N)c1 ZINC000217780018 385893073 /nfs/dbraw/zinc/89/30/73/385893073.db2.gz IZIZEGCSDBTOOP-UHFFFAOYSA-N 0 0 246.354 2.569 40 70 BFIBRN c1ccc(Cc2nc3cnccc3o2)cc1 ZINC000216882330 387031565 /nfs/dbraw/zinc/03/15/65/387031565.db2.gz HCGMJZALZDNSNE-UHFFFAOYSA-N 0 0 210.236 2.814 40 70 BFIBRN CCCn1nccc1CNc1cnn(C(C)C)c1 ZINC000160140458 387853651 /nfs/dbraw/zinc/85/36/51/387853651.db2.gz CZOYMIQJMCMFMW-UHFFFAOYSA-N 0 0 247.346 2.683 40 70 BFIBRN CC(C)(C)OC(=O)NC1C2CCC1CC2 ZINC000217898059 411184366 /nfs/dbraw/zinc/18/43/66/411184366.db2.gz BQKZCBCAENWGLW-UHFFFAOYSA-N 0 0 211.305 2.700 40 70 BFIBRN COc1ccc(-n2ccc(C3OCCO3)c2)cc1 ZINC000216700798 175043859 /nfs/dbraw/zinc/04/38/59/175043859.db2.gz DSOUDGUPDNUPJH-UHFFFAOYSA-N 0 0 245.278 2.531 40 70 BFIBRN