smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+](CC=C)C[C@@H]([NH3+])CCCC 37480767 572154238 /nfs/dbraw/zinc/15/42/38/572154238.db2.gz APCSAIHZSTWTTN-LBPRGKRZSA-N 2 2 196.338 2.178 10 30 AEEELP C=CC[NH+](CC=C)C[C@](C)([NH3+])CCC 37480770 572156103 /nfs/dbraw/zinc/15/61/03/572156103.db2.gz VCLPPHFPDNBYBK-GFCCVEGCSA-N 2 2 196.338 2.178 10 30 AEEELP C=C(CC)C[NH2+]C[C@@H]1CCC[N@H+]1CC 85057170 572639453 /nfs/dbraw/zinc/63/94/53/572639453.db2.gz JZCMLLXUKRDXFG-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[NH2+]C[C@@H]1CCC[N@@H+]1CC 85057170 572639455 /nfs/dbraw/zinc/63/94/55/572639455.db2.gz JZCMLLXUKRDXFG-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@@H+](CC)C[C@@]1(C)CCCC[NH2+]1 127429790 573900173 /nfs/dbraw/zinc/90/01/73/573900173.db2.gz PAWJPVMQGVZRNJ-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](CC)C[C@@]1(C)CCCC[NH2+]1 127429790 573900177 /nfs/dbraw/zinc/90/01/77/573900177.db2.gz PAWJPVMQGVZRNJ-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C[C@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCC1 85749092 572793853 /nfs/dbraw/zinc/79/38/53/572793853.db2.gz UOVCPZMVHGVYAC-RYUDHWBXSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@@H+](C)[C@H](CC)C[NH2+]C(C)(C)C 131971249 573128413 /nfs/dbraw/zinc/12/84/13/573128413.db2.gz XKPXZJMGPCDZJH-LLVKDONJSA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[N@H+](C)[C@H](CC)C[NH2+]C(C)(C)C 131971249 573128416 /nfs/dbraw/zinc/12/84/16/573128416.db2.gz XKPXZJMGPCDZJH-LLVKDONJSA-N 2 2 198.354 2.271 10 30 AEEELP C=CCCC[N@H+]1CC[C@H]([NH2+]CCC)C1 308515858 573194421 /nfs/dbraw/zinc/19/44/21/573194421.db2.gz FGAZMCZBUCYMEB-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[N@@H+]1CC[C@H]([NH2+]CCC)C1 308515858 573194426 /nfs/dbraw/zinc/19/44/26/573194426.db2.gz FGAZMCZBUCYMEB-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](C1CC1)[C@H](C)C[NH2+]C(C)C 132121035 573224253 /nfs/dbraw/zinc/22/42/53/573224253.db2.gz QMJAXNYOFDEEGR-LLVKDONJSA-N 2 2 196.338 2.023 10 30 AEEELP C=CC[N@@H+](C1CC1)[C@H](C)C[NH2+]C(C)C 132121035 573224258 /nfs/dbraw/zinc/22/42/58/573224258.db2.gz QMJAXNYOFDEEGR-LLVKDONJSA-N 2 2 196.338 2.023 10 30 AEEELP C=C(C)CC[NH2+]C1(C[NH+](C)C)CCC1 308527159 573235874 /nfs/dbraw/zinc/23/58/74/573235874.db2.gz QXWBTQLUERDTIR-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC 308554031 573338909 /nfs/dbraw/zinc/33/89/09/573338909.db2.gz YRMQYDUASKCAAT-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC 308554031 573338915 /nfs/dbraw/zinc/33/89/15/573338915.db2.gz YRMQYDUASKCAAT-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC 308554404 573343291 /nfs/dbraw/zinc/34/32/91/573343291.db2.gz YRMQYDUASKCAAT-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC 308554404 573343296 /nfs/dbraw/zinc/34/32/96/573343296.db2.gz YRMQYDUASKCAAT-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=CCC[N@H+](C)CC[NH2+]C1CCCC1 308556772 573346076 /nfs/dbraw/zinc/34/60/76/573346076.db2.gz SUAKLMCNEUQNKA-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[N@@H+](C)CC[NH2+]C1CCCC1 308556772 573346084 /nfs/dbraw/zinc/34/60/84/573346084.db2.gz SUAKLMCNEUQNKA-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[N@@H+]1CCC[NH2+]C(C)(C)C1 308576094 573403526 /nfs/dbraw/zinc/40/35/26/573403526.db2.gz HNBQDIMQQNIZRX-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[N@H+]1CCC[NH2+]C(C)(C)C1 308576094 573403534 /nfs/dbraw/zinc/40/35/34/573403534.db2.gz HNBQDIMQQNIZRX-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CC)C1 308630659 573549459 /nfs/dbraw/zinc/54/94/59/573549459.db2.gz YSASQUZTHQCHFJ-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@H+](CC)C1 308630659 573549464 /nfs/dbraw/zinc/54/94/64/573549464.db2.gz YSASQUZTHQCHFJ-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@@H+](C(C)C)[C@H](C)C[NH2+]C1CC1 132102257 573212422 /nfs/dbraw/zinc/21/24/22/573212422.db2.gz OMYXRJCMELUCIE-LLVKDONJSA-N 2 2 196.338 2.023 10 30 AEEELP C=CC[N@H+](C(C)C)[C@H](C)C[NH2+]C1CC1 132102257 573212429 /nfs/dbraw/zinc/21/24/29/573212429.db2.gz OMYXRJCMELUCIE-LLVKDONJSA-N 2 2 196.338 2.023 10 30 AEEELP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 130275011 573506641 /nfs/dbraw/zinc/50/66/41/573506641.db2.gz KQURATLZJOFSCD-NWDGAFQWSA-N 2 2 196.338 2.023 10 30 AEEELP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 130275011 573506644 /nfs/dbraw/zinc/50/66/44/573506644.db2.gz KQURATLZJOFSCD-NWDGAFQWSA-N 2 2 196.338 2.023 10 30 AEEELP C[C@H]([NH3+])C[NH+]=C1CCCCCC1 238422190 573514443 /nfs/dbraw/zinc/51/44/43/573514443.db2.gz WXOYVGIPDJXJNA-VIFPVBQESA-N 2 2 168.284 2.129 10 30 AEEELP C(=[NH+]\CCc1cccc[nH+]1)\c1ccc[nH]1 308614289 573522513 /nfs/dbraw/zinc/52/25/13/573522513.db2.gz RTZGIOLJETWOSH-RAXLEYEMSA-N 2 2 199.257 2.071 10 30 AEEELP C=C[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 308644247 573621901 /nfs/dbraw/zinc/62/19/01/573621901.db2.gz GQOQFWZNLHBLOV-NEPJUHHUSA-N 2 2 196.338 2.023 10 30 AEEELP C=C[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 308644247 573621904 /nfs/dbraw/zinc/62/19/04/573621904.db2.gz GQOQFWZNLHBLOV-NEPJUHHUSA-N 2 2 196.338 2.023 10 30 AEEELP C=CCC[C@H](CC)[NH2+]CC[N@H+](C)CC 308694984 573735382 /nfs/dbraw/zinc/73/53/82/573735382.db2.gz OUQOMLNXSKJXIW-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=CCC[C@H](CC)[NH2+]CC[N@@H+](C)CC 308694984 573735387 /nfs/dbraw/zinc/73/53/87/573735387.db2.gz OUQOMLNXSKJXIW-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=CC[NH2+]CCCc1c[nH+]ccc1C 308745864 573801433 /nfs/dbraw/zinc/80/14/33/573801433.db2.gz RDIYFPTYUHYKAT-UHFFFAOYSA-N 2 2 190.290 2.098 10 30 AEEELP C=CCCCC[NH2+]Cc1c[nH+]c(C)[nH]1 308449608 573839955 /nfs/dbraw/zinc/83/99/55/573839955.db2.gz AVCPVKNSNOJURK-UHFFFAOYSA-N 2 2 193.294 2.164 10 30 AEEELP C=CC[N@@H+](CC)C[C@H]([NH3+])CCCC 131501825 573864347 /nfs/dbraw/zinc/86/43/47/573864347.db2.gz JLGVOMMOJUNSHF-LLVKDONJSA-N 2 2 184.327 2.012 10 30 AEEELP C=CC[N@H+](CC)C[C@H]([NH3+])CCCC 131501825 573864354 /nfs/dbraw/zinc/86/43/54/573864354.db2.gz JLGVOMMOJUNSHF-LLVKDONJSA-N 2 2 184.327 2.012 10 30 AEEELP C=CC[N@H+](CC[NH2+][C@@H](C)CC)C(C)C 131599262 573893180 /nfs/dbraw/zinc/89/31/80/573893180.db2.gz AVCYVRHRJBYTTO-LBPRGKRZSA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[N@@H+](CC)C[C@]1(C)CCCC[NH2+]1 127429567 573897787 /nfs/dbraw/zinc/89/77/87/573897787.db2.gz PAWJPVMQGVZRNJ-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](CC)C[C@]1(C)CCCC[NH2+]1 127429567 573897792 /nfs/dbraw/zinc/89/77/92/573897792.db2.gz PAWJPVMQGVZRNJ-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](C[C@@H]1CCCC[NH2+]1)C(C)C 131633247 573898619 /nfs/dbraw/zinc/89/86/19/573898619.db2.gz XWBCUQGQOMQVQG-LBPRGKRZSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@@H+](C[C@@H]1CCCC[NH2+]1)C(C)C 131633247 573898624 /nfs/dbraw/zinc/89/86/24/573898624.db2.gz XWBCUQGQOMQVQG-LBPRGKRZSA-N 2 2 196.338 2.025 10 30 AEEELP CC(C)=[NH+]C[C@H]1CCCCCC[NH2+]1 238175541 573900672 /nfs/dbraw/zinc/90/06/72/573900672.db2.gz CEPCXMWAKNCDJQ-LLVKDONJSA-N 2 2 182.311 2.390 10 30 AEEELP C=CC[N@@H+](CC)C[C@H]1CCCCC[NH2+]1 131529987 573900688 /nfs/dbraw/zinc/90/06/88/573900688.db2.gz LYLDDWBQASILND-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](CC)C[C@H]1CCCCC[NH2+]1 131529987 573900694 /nfs/dbraw/zinc/90/06/94/573900694.db2.gz LYLDDWBQASILND-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP CC(C)=[NH+]C[C@@H]1CCCCCC[NH2+]1 238175492 573900902 /nfs/dbraw/zinc/90/09/02/573900902.db2.gz CEPCXMWAKNCDJQ-NSHDSACASA-N 2 2 182.311 2.390 10 30 AEEELP C=CC[C@H](C)[N@@H+](CC)[C@H]1CCC[NH2+]C1 715053303 573901875 /nfs/dbraw/zinc/90/18/75/573901875.db2.gz LNVJACBCUMGWFK-RYUDHWBXSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@H](C)[N@H+](CC)[C@H]1CCC[NH2+]C1 715053303 573901880 /nfs/dbraw/zinc/90/18/80/573901880.db2.gz LNVJACBCUMGWFK-RYUDHWBXSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@H](C)[N@@H+](CC)[C@@H]1CCC[NH2+]C1 715053301 573901978 /nfs/dbraw/zinc/90/19/78/573901978.db2.gz LNVJACBCUMGWFK-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@H](C)[N@H+](CC)[C@@H]1CCC[NH2+]C1 715053301 573901982 /nfs/dbraw/zinc/90/19/82/573901982.db2.gz LNVJACBCUMGWFK-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@H+](CCC)CC[NH2+][C@H](C)CC 131547692 573902292 /nfs/dbraw/zinc/90/22/92/573902292.db2.gz GEGWXVGYVUZNIA-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=CC[N@@H+](CCC)CC[NH2+][C@H](C)CC 131547692 573902296 /nfs/dbraw/zinc/90/22/96/573902296.db2.gz GEGWXVGYVUZNIA-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=CC[C@@H](C)[N@H+]1CCCC[C@H]1C[NH2+]C 715055783 573904268 /nfs/dbraw/zinc/90/42/68/573904268.db2.gz YWXZQKSWEXCHML-NEPJUHHUSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@@H](C)[N@@H+]1CCCC[C@H]1C[NH2+]C 715055783 573904273 /nfs/dbraw/zinc/90/42/73/573904273.db2.gz YWXZQKSWEXCHML-NEPJUHHUSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@@H](C)[N@H+]1CCCC[C@@H]1C[NH2+]C 715055786 573904314 /nfs/dbraw/zinc/90/43/14/573904314.db2.gz YWXZQKSWEXCHML-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@@H](C)[N@@H+]1CCCC[C@@H]1C[NH2+]C 715055786 573904320 /nfs/dbraw/zinc/90/43/20/573904320.db2.gz YWXZQKSWEXCHML-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@@H+](CC[NH2+]C(C)C)C(C)(C)C 131700313 573906779 /nfs/dbraw/zinc/90/67/79/573906779.db2.gz FCDNNGQESBSRNI-UHFFFAOYSA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[N@H+](CC[NH2+]C(C)C)C(C)(C)C 131700313 573906794 /nfs/dbraw/zinc/90/67/94/573906794.db2.gz FCDNNGQESBSRNI-UHFFFAOYSA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[N@@H+](CC(C)(C)[NH2+]CC)C1CC1 131675981 573918378 /nfs/dbraw/zinc/91/83/78/573918378.db2.gz KIXZZEPSMFRQEQ-UHFFFAOYSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@H+](CC(C)(C)[NH2+]CC)C1CC1 131675981 573918379 /nfs/dbraw/zinc/91/83/79/573918379.db2.gz KIXZZEPSMFRQEQ-UHFFFAOYSA-N 2 2 196.338 2.025 10 30 AEEELP C=CCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 126725819 1169175509 /nfs/dbraw/zinc/17/55/09/1169175509.db2.gz IXFFOFIABIIIEQ-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[NH2+][C@@H]1CCC[N@@H+](CC)C1 1308818152 1170192424 /nfs/dbraw/zinc/19/24/24/1170192424.db2.gz SFQXOKCNQKICBX-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[NH2+][C@@H]1CCC[N@H+](CC)C1 1308818152 1170192427 /nfs/dbraw/zinc/19/24/27/1170192427.db2.gz SFQXOKCNQKICBX-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[NH2+][C@H]1CCC[N@@H+](CC)C1 1308818154 1170192822 /nfs/dbraw/zinc/19/28/22/1170192822.db2.gz SFQXOKCNQKICBX-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[NH2+][C@H]1CCC[N@H+](CC)C1 1308818154 1170192828 /nfs/dbraw/zinc/19/28/28/1170192828.db2.gz SFQXOKCNQKICBX-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+][C@H]1CCC[N@@H+](CC)C1 1474491996 1170601801 /nfs/dbraw/zinc/60/18/01/1170601801.db2.gz OKGHTOSJAIYQTB-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+][C@H]1CCC[N@H+](CC)C1 1474491996 1170601809 /nfs/dbraw/zinc/60/18/09/1170601809.db2.gz OKGHTOSJAIYQTB-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+][C@@H]1CCC[N@@H+](CC)C1 1474491988 1170602304 /nfs/dbraw/zinc/60/23/04/1170602304.db2.gz OKGHTOSJAIYQTB-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+][C@@H]1CCC[N@H+](CC)C1 1474491988 1170602307 /nfs/dbraw/zinc/60/23/07/1170602307.db2.gz OKGHTOSJAIYQTB-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 1652500051 1170899831 /nfs/dbraw/zinc/89/98/31/1170899831.db2.gz NEWIEVMSTFRHAN-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)CC[NH2+][C@@H]1CCC[N@H+](CC)C1 1652500051 1170899838 /nfs/dbraw/zinc/89/98/38/1170899838.db2.gz NEWIEVMSTFRHAN-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)CC[NH2+][C@H]1CCC[N@@H+](CC)C1 1652500052 1170900160 /nfs/dbraw/zinc/90/01/60/1170900160.db2.gz NEWIEVMSTFRHAN-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)CC[NH2+][C@H]1CCC[N@H+](CC)C1 1652500052 1170900167 /nfs/dbraw/zinc/90/01/67/1170900167.db2.gz NEWIEVMSTFRHAN-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+]C[C@H]1CCCC[N@H+]1C 70592112 571673255 /nfs/dbraw/zinc/67/32/55/571673255.db2.gz RUDUJWFLLRULMW-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+]C[C@H]1CCCC[N@@H+]1C 70592112 571673258 /nfs/dbraw/zinc/67/32/58/571673258.db2.gz RUDUJWFLLRULMW-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[NH2+]C[C@@H](C)[NH+]1CCCCC1 70592149 571673205 /nfs/dbraw/zinc/67/32/05/571673205.db2.gz APTAPYWIMCDKEE-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[NH2+][C@@H](C)C[NH+]1CCCCC1 70591971 571673412 /nfs/dbraw/zinc/67/34/12/571673412.db2.gz OQUZXDHMMBUGFF-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[NH2+]C[C@H](C)[NH+]1CCCCC1 70592148 571673415 /nfs/dbraw/zinc/67/34/15/571673415.db2.gz APTAPYWIMCDKEE-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+][C@@H](C[NH+](C)C)C(C)C 70591958 571673604 /nfs/dbraw/zinc/67/36/04/571673604.db2.gz LLQRSJDPYVFFII-LBPRGKRZSA-N 2 2 198.354 2.128 10 30 AEEELP C=CCC[NH2+][C@@H](CC(C)C)C[NH+](C)C 70592029 571673610 /nfs/dbraw/zinc/67/36/10/571673610.db2.gz ZXIDIXIDCNZRBG-LBPRGKRZSA-N 2 2 198.354 2.128 10 30 AEEELP C=CCCC[NH2+]CC[NH+]1CCCCC1 70592066 571674171 /nfs/dbraw/zinc/67/41/71/571674171.db2.gz KLGBNSNYQRUSQC-UHFFFAOYSA-N 2 2 196.338 2.028 10 30 AEEELP C=CCCC[NH2+]C[C@@H]1CCCC[N@H+]1C 70592113 571674434 /nfs/dbraw/zinc/67/44/34/571674434.db2.gz RUDUJWFLLRULMW-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCC[NH2+]C[C@@H]1CCCC[N@@H+]1C 70592113 571674437 /nfs/dbraw/zinc/67/44/37/571674437.db2.gz RUDUJWFLLRULMW-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[NH2+][C@H](C)C[NH+]1CCCCC1 70591972 571674669 /nfs/dbraw/zinc/67/46/69/571674669.db2.gz OQUZXDHMMBUGFF-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[N@@H+](CCC)[C@@H]1CCC[NH2+]C1 70593335 571674907 /nfs/dbraw/zinc/67/49/07/571674907.db2.gz FNPYAVQJWNJINP-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCC[N@H+](CCC)[C@@H]1CCC[NH2+]C1 70593335 571674909 /nfs/dbraw/zinc/67/49/09/571674909.db2.gz FNPYAVQJWNJINP-GFCCVEGCSA-N 2 2 196.338 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VEDXLKCQKHVBCS-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=CCCCCC[C@H](C[NH+](C)C)[NH2+]C 234448306 571773086 /nfs/dbraw/zinc/77/30/86/571773086.db2.gz VEDXLKCQKHVBCS-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=C(C)C[N@@H+](C)C[C@@H]([NH3+])CCCC 219313690 571796970 /nfs/dbraw/zinc/79/69/70/571796970.db2.gz SJGZJBSEJJSLRD-NSHDSACASA-N 2 2 184.327 2.012 10 30 AEEELP C=C(C)C[N@H+](C)C[C@@H]([NH3+])CCCC 219313690 571796975 /nfs/dbraw/zinc/79/69/75/571796975.db2.gz SJGZJBSEJJSLRD-NSHDSACASA-N 2 2 184.327 2.012 10 30 AEEELP C=CC[N@@H+](C)C[C@H]1CCCCCC[NH2+]1 301048448 571873781 /nfs/dbraw/zinc/87/37/81/571873781.db2.gz ZECJMKUSLDMLSB-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](C)C[C@H]1CCCCCC[NH2+]1 301048448 571873784 /nfs/dbraw/zinc/87/37/84/571873784.db2.gz ZECJMKUSLDMLSB-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@@H+](C)C[C@@H]1CCCCCC[NH2+]1 301048449 571874320 /nfs/dbraw/zinc/87/43/20/571874320.db2.gz ZECJMKUSLDMLSB-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CC[N@H+](C)C[C@@H]1CCCCCC[NH2+]1 301048449 571874323 /nfs/dbraw/zinc/87/43/23/571874323.db2.gz ZECJMKUSLDMLSB-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C[C@@H](C)[N@H+](CC)C[C@H]1CCCC[NH2+]1 300056160 571893737 /nfs/dbraw/zinc/89/37/37/571893737.db2.gz KQOADHYFEHDSJN-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=C[C@@H](C)[N@@H+](CC)C[C@H]1CCCC[NH2+]1 300056160 571893739 /nfs/dbraw/zinc/89/37/39/571893739.db2.gz KQOADHYFEHDSJN-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=CCCCCC[NH2+][C@H](C)C[NH+](C)C 235437569 571908710 /nfs/dbraw/zinc/90/87/10/571908710.db2.gz CCUWZMBXEFYRJR-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=CCCCCC[NH2+]C[C@@H](C)[NH+](C)C 235452761 571910774 /nfs/dbraw/zinc/91/07/74/571910774.db2.gz QNRQGHCYPKRGTA-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)C1 234381133 571918479 /nfs/dbraw/zinc/91/84/79/571918479.db2.gz INDYKODZIKUDKF-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)C1 234381133 571918481 /nfs/dbraw/zinc/91/84/81/571918481.db2.gz INDYKODZIKUDKF-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCCC[N@H+]1CC[C@H]([NH2+]C)C1 234476438 571974882 /nfs/dbraw/zinc/97/48/82/571974882.db2.gz MHTUYZBQSMFJOU-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCCC[N@@H+]1CC[C@H]([NH2+]C)C1 234476438 571974884 /nfs/dbraw/zinc/97/48/84/571974884.db2.gz MHTUYZBQSMFJOU-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCCC[NH2+][C@@H](C)C[NH+](C)C 235107017 572073471 /nfs/dbraw/zinc/07/34/71/572073471.db2.gz CCUWZMBXEFYRJR-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=C(C)C[N@H+]1CCCC[C@@H]1C[NH2+]CC 82646145 572078164 /nfs/dbraw/zinc/07/81/64/572078164.db2.gz GVIRBIBONROBQV-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]CC 82646145 572078167 /nfs/dbraw/zinc/07/81/67/572078167.db2.gz GVIRBIBONROBQV-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C[C@H](C)[N@H+]1CCCC[C@H]1C[NH2+]CC 82646148 572079013 /nfs/dbraw/zinc/07/90/13/572079013.db2.gz PVDLVHDNFBJDQP-RYUDHWBXSA-N 2 2 196.338 2.025 10 30 AEEELP C=C[C@H](C)[N@H+]1CCCC[C@@H]1C[NH2+]CC 82646149 572078802 /nfs/dbraw/zinc/07/88/02/572078802.db2.gz PVDLVHDNFBJDQP-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=C[C@H](C)[N@@H+]1CCCC[C@@H]1C[NH2+]CC 82646149 572078804 /nfs/dbraw/zinc/07/88/04/572078804.db2.gz PVDLVHDNFBJDQP-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=C[C@H](C)[N@@H+]1CCCC[C@H]1C[NH2+]CC 82646148 572079017 /nfs/dbraw/zinc/07/90/17/572079017.db2.gz PVDLVHDNFBJDQP-RYUDHWBXSA-N 2 2 196.338 2.025 10 30 AEEELP C=C(C)C[N@H+]1CCCC[C@H]1C[NH2+]CC 82646144 572080314 /nfs/dbraw/zinc/08/03/14/572080314.db2.gz GVIRBIBONROBQV-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)C[N@@H+]1CCCC[C@H]1C[NH2+]CC 82646144 572080317 /nfs/dbraw/zinc/08/03/17/572080317.db2.gz GVIRBIBONROBQV-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCCC[NH2+]C[C@H](C)[NH+](C)C 235139097 572104088 /nfs/dbraw/zinc/10/40/88/572104088.db2.gz QNRQGHCYPKRGTA-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP 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CSVNDFNLAWEHPD-SNVBAGLBSA-N 2 2 187.246 2.139 10 30 AEEELP C=C(CC)C[NH2+][C@H](C[NH+](C)C)C(C)C 85057914 572638570 /nfs/dbraw/zinc/63/85/70/572638570.db2.gz FQEJHJYWOCEQDS-GFCCVEGCSA-N 2 2 198.354 2.128 10 30 AEEELP C=C(CC)C[NH2+][C@@H](C)C[NH+]1CCCC1 85057879 572639581 /nfs/dbraw/zinc/63/95/81/572639581.db2.gz VTRYUXSPASKVSY-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[NH2+][C@@H](C[NH+](C)C)C(C)C 85057913 572640271 /nfs/dbraw/zinc/64/02/71/572640271.db2.gz FQEJHJYWOCEQDS-LBPRGKRZSA-N 2 2 198.354 2.128 10 30 AEEELP C=C(CC)C[NH2+]CC[NH+]1CCCCC1 85058076 572640674 /nfs/dbraw/zinc/64/06/74/572640674.db2.gz QTBAGEOACUXPBE-UHFFFAOYSA-N 2 2 196.338 2.028 10 30 AEEELP C=C(CC)C[NH2+][C@H](C)C[NH+]1CCCC1 85057881 572642128 /nfs/dbraw/zinc/64/21/28/572642128.db2.gz VTRYUXSPASKVSY-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[N@@H+]1CCCC[C@@H]1C[NH2+]C 85060384 572642868 /nfs/dbraw/zinc/64/28/68/572642868.db2.gz XIXJBMAQAYUROF-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP 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/nfs/dbraw/zinc/64/55/00/572645500.db2.gz HFBRUBYDBOVMIN-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[N@@H+]1CCCC[C@H]1C[NH2+]C 85060385 572645753 /nfs/dbraw/zinc/64/57/53/572645753.db2.gz XIXJBMAQAYUROF-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[N@H+]1CCCC[C@H]1C[NH2+]C 85060385 572645757 /nfs/dbraw/zinc/64/57/57/572645757.db2.gz XIXJBMAQAYUROF-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[N@@H+](CC)[C@H]1CCC[NH2+]C1 85060440 572645798 /nfs/dbraw/zinc/64/57/98/572645798.db2.gz HFBRUBYDBOVMIN-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(CC)C[N@H+](CC)[C@H]1CCC[NH2+]C1 85060440 572645800 /nfs/dbraw/zinc/64/58/00/572645800.db2.gz HFBRUBYDBOVMIN-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)CC[N@@H+]1CCC[NH2+]C(C)(C)C1 307603722 572693981 /nfs/dbraw/zinc/69/39/81/572693981.db2.gz UKZICEYCWIVQJK-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=C(C)CC[N@H+]1CCC[NH2+]C(C)(C)C1 307603722 572693984 /nfs/dbraw/zinc/69/39/84/572693984.db2.gz UKZICEYCWIVQJK-UHFFFAOYSA-N 2 2 196.338 2.027 10 30 AEEELP C=C1CC[NH+](C[C@H]([NH3+])C(C)(C)C)CC1 306669268 572722172 /nfs/dbraw/zinc/72/21/72/572722172.db2.gz WSSYZQUVBBTGHB-NSHDSACASA-N 2 2 196.338 2.012 10 30 AEEELP C=CC[C@H]([NH3+])c1c[nH]c2cc[nH+]cc12 713740870 572730814 /nfs/dbraw/zinc/73/08/14/572730814.db2.gz AEJGPIXSNFNJIW-JTQLQIEISA-N 2 2 187.246 2.139 10 30 AEEELP C=CC[C@@H]([NH3+])c1c[nH]c2cc[nH+]cc12 713740875 572732649 /nfs/dbraw/zinc/73/26/49/572732649.db2.gz AEJGPIXSNFNJIW-SNVBAGLBSA-N 2 2 187.246 2.139 10 30 AEEELP C=CC[C@H]([NH3+])[C@](C)(CC)[NH+](CC)CC 85747960 572787968 /nfs/dbraw/zinc/78/79/68/572787968.db2.gz MDUKQQUKWAXGFW-RYUDHWBXSA-N 2 2 198.354 2.400 10 30 AEEELP C=CCC[C@@H]([NH3+])C(C)(C)[NH+](CC)CC 85739207 572787997 /nfs/dbraw/zinc/78/79/97/572787997.db2.gz DGPFAIBGRBMOBN-LLVKDONJSA-N 2 2 198.354 2.400 10 30 AEEELP C=CC[C@H]([NH3+])C(C)(C)[NH+]1CCCCC1 85741427 572788323 /nfs/dbraw/zinc/78/83/23/572788323.db2.gz CAXLWCCOXXHLDK-NSHDSACASA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[C@@H]([NH3+])[C@](C)(CC)[NH+](CC)CC 85747955 572788893 /nfs/dbraw/zinc/78/88/93/572788893.db2.gz MDUKQQUKWAXGFW-NEPJUHHUSA-N 2 2 198.354 2.400 10 30 AEEELP C=CCC[C@H]([NH3+])C(C)(C)[NH+](CC)CC 85739211 572788934 /nfs/dbraw/zinc/78/89/34/572788934.db2.gz DGPFAIBGRBMOBN-NSHDSACASA-N 2 2 198.354 2.400 10 30 AEEELP C=CC[C@H]([NH2+]C)C(C)(C)[NH+](CC)CC 85739422 572789240 /nfs/dbraw/zinc/78/92/40/572789240.db2.gz AYFCKLCVICGIGH-NSHDSACASA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[C@@H]([NH3+])C(C)(C)[NH+]1CCCCC1 85741426 572789800 /nfs/dbraw/zinc/78/98/00/572789800.db2.gz CAXLWCCOXXHLDK-LLVKDONJSA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[C@H]([NH3+])C(C)(C)[NH+](CC)CC 85739175 572789820 /nfs/dbraw/zinc/78/98/20/572789820.db2.gz HSRCQOWRPPSOJJ-JTQLQIEISA-N 2 2 184.327 2.010 10 30 AEEELP C=CC[C@@H]([NH3+])[C@@](C)(CC)[NH+](CC)CC 85747957 572789962 /nfs/dbraw/zinc/78/99/62/572789962.db2.gz MDUKQQUKWAXGFW-VXGBXAGGSA-N 2 2 198.354 2.400 10 30 AEEELP C=CC[C@@H]([NH2+]C)C(C)(C)[NH+](CC)CC 85739416 572791423 /nfs/dbraw/zinc/79/14/23/572791423.db2.gz AYFCKLCVICGIGH-LLVKDONJSA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[C@H]([NH3+])[C@@](C)(CC)[NH+](CC)CC 85747964 572791088 /nfs/dbraw/zinc/79/10/88/572791088.db2.gz MDUKQQUKWAXGFW-NWDGAFQWSA-N 2 2 198.354 2.400 10 30 AEEELP C=CC[C@@H]([NH3+])C(C)(C)[NH+](CC)CC 85739172 572791603 /nfs/dbraw/zinc/79/16/03/572791603.db2.gz HSRCQOWRPPSOJJ-SNVBAGLBSA-N 2 2 184.327 2.010 10 30 AEEELP C=CC[C@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 85748993 572791991 /nfs/dbraw/zinc/79/19/91/572791991.db2.gz BFHNAVWHTCRZKS-RYUDHWBXSA-N 2 2 196.338 2.154 10 30 AEEELP C=C[C@@H]([NH2+]C)[C@](C)(CC)[NH+]1CCCC1 85749087 572793716 /nfs/dbraw/zinc/79/37/16/572793716.db2.gz UOVCPZMVHGVYAC-NEPJUHHUSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 85748990 572793597 /nfs/dbraw/zinc/79/35/97/572793597.db2.gz BFHNAVWHTCRZKS-VXGBXAGGSA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[C@@H]([NH2+]C)C(CC)(CC)[NH+](C)C 85750845 572794224 /nfs/dbraw/zinc/79/42/24/572794224.db2.gz YWRRIZBREWSSKP-LLVKDONJSA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[C@H]([NH2+]C)C(CC)(CC)[NH+](C)C 85750850 572794919 /nfs/dbraw/zinc/79/49/19/572794919.db2.gz YWRRIZBREWSSKP-NSHDSACASA-N 2 2 198.354 2.271 10 30 AEEELP C=C[C@@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCC1 85749089 572795211 /nfs/dbraw/zinc/79/52/11/572795211.db2.gz UOVCPZMVHGVYAC-VXGBXAGGSA-N 2 2 196.338 2.025 10 30 AEEELP C=CCC[C@@H]([NH3+])C(CC)(CC)[NH+](C)C 85750727 572795512 /nfs/dbraw/zinc/79/55/12/572795512.db2.gz RNEXGZNLYPYERP-LLVKDONJSA-N 2 2 198.354 2.400 10 30 AEEELP C=CC[C@H]([NH3+])[C@@](C)(CC)[NH+]1CCCC1 85748994 572795975 /nfs/dbraw/zinc/79/59/75/572795975.db2.gz BFHNAVWHTCRZKS-NWDGAFQWSA-N 2 2 196.338 2.154 10 30 AEEELP C=CCC[C@H]([NH3+])C(CC)(CC)[NH+](C)C 85750728 572797096 /nfs/dbraw/zinc/79/70/96/572797096.db2.gz RNEXGZNLYPYERP-NSHDSACASA-N 2 2 198.354 2.400 10 30 AEEELP C=C[C@H]([NH2+]C)[C@@](C)(CC)[NH+]1CCCC1 85749094 572797126 /nfs/dbraw/zinc/79/71/26/572797126.db2.gz UOVCPZMVHGVYAC-NWDGAFQWSA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[C@H]([NH3+])C(CC)(CC)[NH+](C)C 85750712 572797138 /nfs/dbraw/zinc/79/71/38/572797138.db2.gz QGRXENDJEWYEPJ-JTQLQIEISA-N 2 2 184.327 2.010 10 30 AEEELP C=CC[C@@H]([NH3+])[C@](C)(CC)[NH+]1CCCC1 85748988 572797373 /nfs/dbraw/zinc/79/73/73/572797373.db2.gz BFHNAVWHTCRZKS-NEPJUHHUSA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[C@@H]([NH3+])C(CC)(CC)[NH+](C)C 85750710 572797454 /nfs/dbraw/zinc/79/74/54/572797454.db2.gz QGRXENDJEWYEPJ-SNVBAGLBSA-N 2 2 184.327 2.010 10 30 AEEELP C=CC[C@@H]([NH3+])C1([NH+](C)C)CCCCC1 85753123 572799705 /nfs/dbraw/zinc/79/97/05/572799705.db2.gz OMFNJNCHFJMPMK-LLVKDONJSA-N 2 2 196.338 2.154 10 30 AEEELP C=CCC[C@@H]([NH3+])C1([NH+](C)C)CCCC1 85751926 572800274 /nfs/dbraw/zinc/80/02/74/572800274.db2.gz MUGMNLNUSIIGPB-LLVKDONJSA-N 2 2 196.338 2.154 10 30 AEEELP C=CCC[C@H]([NH3+])C1([NH+](C)C)CCCC1 85751928 572800865 /nfs/dbraw/zinc/80/08/65/572800865.db2.gz MUGMNLNUSIIGPB-NSHDSACASA-N 2 2 196.338 2.154 10 30 AEEELP C=C(CC)C[C@H](C[NH+](C)C)[NH2+]CCC 85800069 572804347 /nfs/dbraw/zinc/80/43/47/572804347.db2.gz XUUQFDOJHWOWBI-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=C(CC)C[C@@H](C[NH+](C)C)[NH2+]CCC 85800067 572805043 /nfs/dbraw/zinc/80/50/43/572805043.db2.gz XUUQFDOJHWOWBI-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=CCCC[C@H](C[NH+](C)C)[NH2+]CCC 85800119 572805814 /nfs/dbraw/zinc/80/58/14/572805814.db2.gz ZRCACKKYICNJMY-GFCCVEGCSA-N 2 2 198.354 2.273 10 30 AEEELP C=CCCC[C@@H](C[NH+](C)C)[NH2+]CCC 85800117 572806685 /nfs/dbraw/zinc/80/66/85/572806685.db2.gz ZRCACKKYICNJMY-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=C1CC[NH+](C[C@@H]([NH3+])C(C)(C)C)CC1 306985788 572845949 /nfs/dbraw/zinc/84/59/49/572845949.db2.gz WSSYZQUVBBTGHB-LLVKDONJSA-N 2 2 196.338 2.012 10 30 AEEELP C=C(C)C[C@H]([NH3+])C(C)(C)[NH+](CC)CC 86062644 572851421 /nfs/dbraw/zinc/85/14/21/572851421.db2.gz FAKNYGKISSDZJM-NSHDSACASA-N 2 2 198.354 2.400 10 30 AEEELP C=C(C)C[C@@H]([NH3+])C(C)(C)[NH+](CC)CC 86062640 572851586 /nfs/dbraw/zinc/85/15/86/572851586.db2.gz FAKNYGKISSDZJM-LLVKDONJSA-N 2 2 198.354 2.400 10 30 AEEELP C=C(C)C[C@@H]([NH3+])C1([NH+](C)C)CCCC1 86062841 572852309 /nfs/dbraw/zinc/85/23/09/572852309.db2.gz HZMJXSKZEHOCFD-LLVKDONJSA-N 2 2 196.338 2.154 10 30 AEEELP C=C(C)C[C@@H]([NH3+])C(CC)(CC)[NH+](C)C 86062808 572853015 /nfs/dbraw/zinc/85/30/15/572853015.db2.gz TVIGNBCDIQJBBA-LLVKDONJSA-N 2 2 198.354 2.400 10 30 AEEELP C=C(C)C[C@H]([NH3+])C(CC)(CC)[NH+](C)C 86062811 572853088 /nfs/dbraw/zinc/85/30/88/572853088.db2.gz TVIGNBCDIQJBBA-NSHDSACASA-N 2 2 198.354 2.400 10 30 AEEELP C=C(C)C[C@H]([NH3+])C1([NH+](C)C)CCCC1 86062839 572853185 /nfs/dbraw/zinc/85/31/85/572853185.db2.gz HZMJXSKZEHOCFD-NSHDSACASA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[NH2+]CC[NH2+]C1(C)CCCCC1 86140022 572873798 /nfs/dbraw/zinc/87/37/98/572873798.db2.gz CYTLLOJCOIHGHO-UHFFFAOYSA-N 2 2 196.338 2.074 10 30 AEEELP C=CC[NH2+]CC[NH2+]C(CC)(CC)CC 86140062 572874003 /nfs/dbraw/zinc/87/40/03/572874003.db2.gz YJDQFFDFBDHIKV-UHFFFAOYSA-N 2 2 198.354 2.320 10 30 AEEELP C=CC[NH2+]CC[NH2+]C1CCCCCC1 86139981 572874037 /nfs/dbraw/zinc/87/40/37/572874037.db2.gz VMQNZJGSTLSKCI-UHFFFAOYSA-N 2 2 196.338 2.074 10 30 AEEELP C=CC[NH2+]CC[NH2+][C@H](C)CCCCC 86139997 572874055 /nfs/dbraw/zinc/87/40/55/572874055.db2.gz MMVLOQDIBPYUFY-GFCCVEGCSA-N 2 2 198.354 2.320 10 30 AEEELP CC(C)[NH2+]CC/[NH+]=C/c1ccccc1 238165183 572959624 /nfs/dbraw/zinc/95/96/24/572959624.db2.gz OEKQFXWHINZPBZ-JLHYYAGUSA-N 2 2 190.290 2.104 10 30 AEEELP CCCCCCC[NH2+]CC[NH+](C)C 59058309 572963937 /nfs/dbraw/zinc/96/39/37/572963937.db2.gz FXVCBMSVCYHROU-UHFFFAOYSA-N 2 2 186.343 2.108 10 30 AEEELP C=CC[NH+](CC=C)CC([NH3+])(CC)CC 86814238 572984767 /nfs/dbraw/zinc/98/47/67/572984767.db2.gz PFKMPCWQYAKEBM-UHFFFAOYSA-N 2 2 196.338 2.178 10 30 AEEELP C=CCCCC[NH2+][C@@H]1CCC[N@@H+](C)C1 308478494 573025433 /nfs/dbraw/zinc/02/54/33/573025433.db2.gz LNEIJDWNQZPDOL-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCC[NH2+][C@@H]1CCC[N@H+](C)C1 308478494 573025438 /nfs/dbraw/zinc/02/54/38/573025438.db2.gz LNEIJDWNQZPDOL-GFCCVEGCSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCC[NH2+][C@H]1CCC[N@@H+](C)C1 308478495 573025958 /nfs/dbraw/zinc/02/59/58/573025958.db2.gz LNEIJDWNQZPDOL-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C=CCCCC[NH2+][C@H]1CCC[N@H+](C)C1 308478495 573025961 /nfs/dbraw/zinc/02/59/61/573025961.db2.gz LNEIJDWNQZPDOL-LBPRGKRZSA-N 2 2 196.338 2.027 10 30 AEEELP C[NH+](C)CCC/[NH+]=C\c1ccccc1 256836086 573073402 /nfs/dbraw/zinc/07/34/02/573073402.db2.gz XPNPMLCKAGNBIW-QBFSEMIESA-N 2 2 190.290 2.057 10 30 AEEELP C=CC[N@H+](CC(C)(C)[NH3+])[C@H](C)C(C)C 308846102 573078810 /nfs/dbraw/zinc/07/88/10/573078810.db2.gz PIWVNHIHJVXXHJ-LLVKDONJSA-N 2 2 198.354 2.256 10 30 AEEELP C=CC[N@@H+](CC(C)(C)[NH3+])[C@H](C)C(C)C 308846102 573078817 /nfs/dbraw/zinc/07/88/17/573078817.db2.gz PIWVNHIHJVXXHJ-LLVKDONJSA-N 2 2 198.354 2.256 10 30 AEEELP C=CC[N@H+](CC(C)(C)[NH3+])[C@@H](C)C(C)C 308846104 573084303 /nfs/dbraw/zinc/08/43/03/573084303.db2.gz PIWVNHIHJVXXHJ-NSHDSACASA-N 2 2 198.354 2.256 10 30 AEEELP C=CC[N@@H+](CC(C)(C)[NH3+])[C@@H](C)C(C)C 308846104 573084312 /nfs/dbraw/zinc/08/43/12/573084312.db2.gz PIWVNHIHJVXXHJ-NSHDSACASA-N 2 2 198.354 2.256 10 30 AEEELP CCC[NH2+]CC/[NH+]=C\c1ccccc1 308262760 573107274 /nfs/dbraw/zinc/10/72/74/573107274.db2.gz OCVZAFKBNLJWMC-KAMYIIQDSA-N 2 2 190.290 2.105 10 30 AEEELP C=CC[N@@H+](C)[C@@H](CC)C[NH2+]C(C)(C)C 131971068 573126907 /nfs/dbraw/zinc/12/69/07/573126907.db2.gz XKPXZJMGPCDZJH-NSHDSACASA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[N@H+](C)[C@@H](CC)C[NH2+]C(C)(C)C 131971068 573126924 /nfs/dbraw/zinc/12/69/24/573126924.db2.gz XKPXZJMGPCDZJH-NSHDSACASA-N 2 2 198.354 2.271 10 30 AEEELP C=CC[N@@H+](C)[C@@H](C[NH2+]CCC)C(C)C 131979813 573129575 /nfs/dbraw/zinc/12/95/75/573129575.db2.gz IQBVHDMPJCFOHS-LBPRGKRZSA-N 2 2 198.354 2.128 10 30 AEEELP C=CC[N@H+](C)[C@@H](C[NH2+]CCC)C(C)C 131979813 573129580 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GEGWXVGYVUZNIA-LBPRGKRZSA-N 2 2 198.354 2.273 10 30 AEEELP C=CC[N@@H+](C[C@@H]([NH3+])CCCC)C1CC1 131656823 573914064 /nfs/dbraw/zinc/91/40/64/573914064.db2.gz CTRJPZIBAGOJJJ-NSHDSACASA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[N@H+](C[C@@H]([NH3+])CCCC)C1CC1 131656823 573914069 /nfs/dbraw/zinc/91/40/69/573914069.db2.gz CTRJPZIBAGOJJJ-NSHDSACASA-N 2 2 196.338 2.154 10 30 AEEELP C=CC[N@@H+](CC[NH2+][C@@H](C)CC)C1CC1 131645558 573914273 /nfs/dbraw/zinc/91/42/73/573914273.db2.gz KSMDDCAZFGRGGL-NSHDSACASA-N 2 2 196.338 2.025 10 30 AEEELP C=CC[N@H+](CC[NH2+][C@@H](C)CC)C1CC1 131645558 573914279 /nfs/dbraw/zinc/91/42/79/573914279.db2.gz KSMDDCAZFGRGGL-NSHDSACASA-N 2 2 196.338 2.025 10 30 AEEELP