smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)c1O ZINC000019744047 539668380 /nfs/dbraw/zinc/66/83/80/539668380.db2.gz RHMAMWQTYBWLEW-MRXNPFEDSA-N 1 1 358.442 2.292 50 10 FECAMO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000056997181 536698421 /nfs/dbraw/zinc/69/84/21/536698421.db2.gz MWIUDQAXMPADKM-UHFFFAOYSA-N 1 1 357.429 2.386 50 10 FECAMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1O ZINC000023129574 539706420 /nfs/dbraw/zinc/70/64/20/539706420.db2.gz CHSDBYAQIWAFGN-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1O ZINC000023129574 539706424 /nfs/dbraw/zinc/70/64/24/539706424.db2.gz CHSDBYAQIWAFGN-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1O ZINC000023129574 539706429 /nfs/dbraw/zinc/70/64/29/539706429.db2.gz CHSDBYAQIWAFGN-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(N2CC[NH+](CCNC(=O)COc3ccccc3)CC2)cc1 ZINC000056997159 536699299 /nfs/dbraw/zinc/69/92/99/536699299.db2.gz SOGBPRTYHJCLLP-UHFFFAOYSA-N 1 1 369.465 2.012 50 10 FECAMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2 ZINC000023381987 539713412 /nfs/dbraw/zinc/71/34/12/539713412.db2.gz AUZVTZOHORAHKC-UHFFFAOYSA-N 1 1 370.405 2.167 50 10 FECAMO CN(C)c1ccc([C@H](CNS(C)(=O)=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035349282 539980320 /nfs/dbraw/zinc/98/03/20/539980320.db2.gz LNXBLLVMGMFPKS-FQEVSTJZSA-N 1 1 373.522 2.401 50 10 FECAMO CN(C)c1ccc([C@H](CNS(C)(=O)=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349282 539980322 /nfs/dbraw/zinc/98/03/22/539980322.db2.gz LNXBLLVMGMFPKS-FQEVSTJZSA-N 1 1 373.522 2.401 50 10 FECAMO COc1ccc(N2N=C(C)C(=C(C)NCCC[NH+]3CCOCC3)C2=O)cc1 ZINC000100422930 543025262 /nfs/dbraw/zinc/02/52/62/543025262.db2.gz LRRJQROFINAFJK-CYVLTUHYSA-N 1 1 372.469 2.004 50 10 FECAMO CC[N@@H+](CC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000007362276 204295005 /nfs/dbraw/zinc/29/50/05/204295005.db2.gz BVSSVHFBELURML-UHFFFAOYSA-N 1 1 354.454 2.312 50 10 FECAMO CS(=O)(=O)N1CC[NH+](Cc2c3c(ccc2O)oc2c3CCCC2)CC1 ZINC000048354176 570949200 /nfs/dbraw/zinc/94/92/00/570949200.db2.gz PEXHHINHBYZBHV-UHFFFAOYSA-N 1 1 364.467 2.094 50 10 FECAMO CC[N@H+](CCN(C)CC(F)(F)F)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000084774744 571099644 /nfs/dbraw/zinc/09/96/44/571099644.db2.gz VLGDAAUDPVSUQW-UHFFFAOYSA-N 1 1 374.451 2.185 50 10 FECAMO CC[N@@H+](CCN(C)CC(F)(F)F)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000084774744 571099648 /nfs/dbraw/zinc/09/96/48/571099648.db2.gz VLGDAAUDPVSUQW-UHFFFAOYSA-N 1 1 374.451 2.185 50 10 FECAMO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000014248698 539600820 /nfs/dbraw/zinc/60/08/20/539600820.db2.gz FGHJRHTWWJLZEK-UHFFFAOYSA-N 1 1 360.385 2.398 50 10 FECAMO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc2c(cc1O)OCO2 ZINC000014248698 539600824 /nfs/dbraw/zinc/60/08/24/539600824.db2.gz FGHJRHTWWJLZEK-UHFFFAOYSA-N 1 1 360.385 2.398 50 10 FECAMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3[C@H](C(=O)N(C)Cc4cnccn4)[C@H]3C2)c1 ZINC000102812991 209241952 /nfs/dbraw/zinc/24/19/52/209241952.db2.gz UQUOQDHZYYDLNG-BWTSREIZSA-N 1 1 366.465 2.135 50 10 FECAMO CC(NCCC[NH+]1CCOCC1)=C1C(=O)N(c2ccc(F)cc2)N=C1C ZINC000100422933 209213574 /nfs/dbraw/zinc/21/35/74/209213574.db2.gz VZSNWXDRSJKKIM-JXAWBTAJSA-N 1 1 360.433 2.134 50 10 FECAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1C ZINC000057381117 540792997 /nfs/dbraw/zinc/79/29/97/540792997.db2.gz HKMAYNGTTCXKMW-AWEZNQCLSA-N 1 1 374.485 2.093 50 10 FECAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1C ZINC000057381117 540792999 /nfs/dbraw/zinc/79/29/99/540792999.db2.gz HKMAYNGTTCXKMW-AWEZNQCLSA-N 1 1 374.485 2.093 50 10 FECAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CC(C)(C)CO)C3)CC2)cc1 ZINC000020541256 539676082 /nfs/dbraw/zinc/67/60/82/539676082.db2.gz CMELNRRWBCRIOC-LJQANCHMSA-N 1 1 361.530 2.300 50 10 FECAMO Oc1cc2c(cc1C[NH+]1CCN(Cc3ccc4c(c3)CCO4)CC1)OCO2 ZINC000022777270 207821533 /nfs/dbraw/zinc/82/15/33/207821533.db2.gz YJLQGYIKWTYTLE-UHFFFAOYSA-N 1 1 368.433 2.374 50 10 FECAMO COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CC[NH+](C)CC3)c2C)cc1 ZINC000022861574 539701743 /nfs/dbraw/zinc/70/17/43/539701743.db2.gz UEDGWAJETMUWFG-UHFFFAOYSA-N 1 1 369.465 2.311 50 10 FECAMO COc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000019841008 524743624 /nfs/dbraw/zinc/74/36/24/524743624.db2.gz FAFZEXVXAFALSD-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000019841008 524743614 /nfs/dbraw/zinc/74/36/14/524743614.db2.gz FAFZEXVXAFALSD-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(O)c(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)c1 ZINC000019841008 524743638 /nfs/dbraw/zinc/74/36/38/524743638.db2.gz FAFZEXVXAFALSD-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc([C@H](c2cc3c(cc2O)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000020719950 211293167 /nfs/dbraw/zinc/29/31/67/211293167.db2.gz KDCSPKYIRPCERU-HXUWFJFHSA-N 1 1 356.422 2.466 50 10 FECAMO CCOC(=O)C1=C(C[N@H+](CC)Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1C ZINC000057381118 540792888 /nfs/dbraw/zinc/79/28/88/540792888.db2.gz HKMAYNGTTCXKMW-CQSZACIVSA-N 1 1 374.485 2.093 50 10 FECAMO CCOC(=O)C1=C(C[N@@H+](CC)Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1C ZINC000057381118 540792889 /nfs/dbraw/zinc/79/28/89/540792889.db2.gz HKMAYNGTTCXKMW-CQSZACIVSA-N 1 1 374.485 2.093 50 10 FECAMO C[C@@H]1CN(Cc2cc(O)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)C[C@H](C)O1 ZINC000012418030 539559459 /nfs/dbraw/zinc/55/94/59/539559459.db2.gz YSJBHHZYQNLUMA-GEEKYZPCSA-N 1 1 364.486 2.316 50 10 FECAMO C[C@@H]1CN(Cc2cc(O)c(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)C[C@H](C)O1 ZINC000012418030 539559461 /nfs/dbraw/zinc/55/94/61/539559461.db2.gz YSJBHHZYQNLUMA-GEEKYZPCSA-N 1 1 364.486 2.316 50 10 FECAMO [NH3+][C@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000001851816 539343367 /nfs/dbraw/zinc/34/33/67/539343367.db2.gz NDAIJSNXWHOZRD-SROTWBRCSA-N 1 1 374.416 2.030 50 10 FECAMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3O)C[C@@H]2CCO)c1 ZINC000023359096 211385354 /nfs/dbraw/zinc/38/53/54/211385354.db2.gz WDASYFOFKPXAHM-IBGZPJMESA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(F)c3)CC2)cc1 ZINC000056997188 536698701 /nfs/dbraw/zinc/69/87/01/536698701.db2.gz QFSJJWXIVVEVGR-UHFFFAOYSA-N 1 1 357.429 2.386 50 10 FECAMO CC1(C)OCC([N+](=O)[O-])([N+](=O)Nc2nonc2NC2CCCCC2)CO1 ZINC000225422146 210176945 /nfs/dbraw/zinc/17/69/45/210176945.db2.gz VEPOWCWPTAIKLM-UHFFFAOYSA-N 1 1 371.374 2.056 50 10 FECAMO CN(C)c1ccc([C@@H](CNS(C)(=O)=O)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000035349281 539980696 /nfs/dbraw/zinc/98/06/96/539980696.db2.gz LNXBLLVMGMFPKS-HXUWFJFHSA-N 1 1 373.522 2.401 50 10 FECAMO CN(C)c1ccc([C@@H](CNS(C)(=O)=O)[N@H+]2CCc3ccccc3C2)cc1 ZINC000035349281 539980700 /nfs/dbraw/zinc/98/07/00/539980700.db2.gz LNXBLLVMGMFPKS-HXUWFJFHSA-N 1 1 373.522 2.401 50 10 FECAMO COc1ccc(N2CCN(C(=O)C[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000034858755 539977391 /nfs/dbraw/zinc/97/73/91/539977391.db2.gz PEWAFZMVTLEZSN-UHFFFAOYSA-N 1 1 365.477 2.402 50 10 FECAMO COc1ccc(N2CCN(C(=O)C[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000034858755 539977393 /nfs/dbraw/zinc/97/73/93/539977393.db2.gz PEWAFZMVTLEZSN-UHFFFAOYSA-N 1 1 365.477 2.402 50 10 FECAMO Oc1ccc(Br)cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000019889176 220303247 /nfs/dbraw/zinc/30/32/47/220303247.db2.gz YXAKQORSLVNWPA-UHFFFAOYSA-N 1 1 355.276 2.451 50 10 FECAMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3cccs3)CC2)cc1 ZINC000056997176 536699284 /nfs/dbraw/zinc/69/92/84/536699284.db2.gz YARHZPIHZMRIGB-UHFFFAOYSA-N 1 1 359.495 2.238 50 10 FECAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000215547342 548673612 /nfs/dbraw/zinc/67/36/12/548673612.db2.gz SIJIIKQTYKQIHP-QGZVFWFLSA-N 1 1 368.481 2.021 50 10 FECAMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCc3ccccc3C1)cc2=O ZINC000047274476 570884756 /nfs/dbraw/zinc/88/47/56/570884756.db2.gz ZWRXKPRJCRCUHR-UHFFFAOYSA-N 1 1 352.394 2.170 50 10 FECAMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CCc3ccccc3C1)cc2=O ZINC000047274476 570884759 /nfs/dbraw/zinc/88/47/59/570884759.db2.gz ZWRXKPRJCRCUHR-UHFFFAOYSA-N 1 1 352.394 2.170 50 10 FECAMO O=C(NC1CCCC1)c1cn([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1 ZINC000012031139 539540596 /nfs/dbraw/zinc/54/05/96/539540596.db2.gz ZLIJCHGUFSRMRU-QGZVFWFLSA-N 1 1 369.469 2.493 50 10 FECAMO Oc1cc2c(cc1CN1CC[NH+](CCOc3ccccc3)CC1)OCO2 ZINC000023249242 539710615 /nfs/dbraw/zinc/71/06/15/539710615.db2.gz FRQPVQWECQVXEB-UHFFFAOYSA-N 1 1 356.422 2.318 50 10 FECAMO Oc1cc2c(cc1C[NH+]1CCN(CCOc3ccccc3)CC1)OCO2 ZINC000023249242 539710619 /nfs/dbraw/zinc/71/06/19/539710619.db2.gz FRQPVQWECQVXEB-UHFFFAOYSA-N 1 1 356.422 2.318 50 10 FECAMO CCOC(=O)C1=C(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)NC(=O)NC1 ZINC000040153720 540008257 /nfs/dbraw/zinc/00/82/57/540008257.db2.gz STTPTOGGTPKAJV-UHFFFAOYSA-N 1 1 374.485 2.093 50 10 FECAMO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000089512448 542764892 /nfs/dbraw/zinc/76/48/92/542764892.db2.gz MVQPZXXXHYNHDP-UHFFFAOYSA-N 1 1 357.502 2.263 50 10 FECAMO O=C(c1cn([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1)N1CCCCC1 ZINC000012028168 539540883 /nfs/dbraw/zinc/54/08/83/539540883.db2.gz CJXCJSCDWZKSIT-QGZVFWFLSA-N 1 1 369.469 2.447 50 10 FECAMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3O)C[C@H]2CCO)c1 ZINC000104470529 222357148 /nfs/dbraw/zinc/35/71/48/222357148.db2.gz WDASYFOFKPXAHM-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(N2CC[NH+](CCC(=O)NC(C)(C)CC(C)=O)CC2)cc1 ZINC000009470959 539502962 /nfs/dbraw/zinc/50/29/62/539502962.db2.gz KJLQTAFYEQMYQG-UHFFFAOYSA-N 1 1 361.486 2.081 50 10 FECAMO COc1ccc(N2CC[NH+](CCNC(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000056997183 536698244 /nfs/dbraw/zinc/69/82/44/536698244.db2.gz IOHHZGLBAJIPDX-UHFFFAOYSA-N 1 1 371.456 2.315 50 10 FECAMO COc1cccc(C(=O)N2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000065410600 205348475 /nfs/dbraw/zinc/34/84/75/205348475.db2.gz ZVMYROXIWLZSER-UHFFFAOYSA-N 1 1 356.422 2.367 50 10 FECAMO COc1ccc(N2CC[NH+](CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000056930482 536696830 /nfs/dbraw/zinc/69/68/30/536696830.db2.gz JNQACUZWBSCLDV-UHFFFAOYSA-N 1 1 365.433 2.113 50 10 FECAMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccco1)C1CC1)cc2=O ZINC000040153903 205059567 /nfs/dbraw/zinc/05/95/67/205059567.db2.gz CBNTZKFIOGOKSR-UHFFFAOYSA-N 1 1 356.382 2.369 50 10 FECAMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](Cc1ccco1)C1CC1)cc2=O ZINC000040153903 205059575 /nfs/dbraw/zinc/05/95/75/205059575.db2.gz CBNTZKFIOGOKSR-UHFFFAOYSA-N 1 1 356.382 2.369 50 10 FECAMO C[NH+](C)CCNC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O ZINC000035327532 539980728 /nfs/dbraw/zinc/98/07/28/539980728.db2.gz JQSBZSULAJIYCP-UHFFFAOYSA-N 1 1 361.401 2.006 50 10 FECAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000215547298 206347676 /nfs/dbraw/zinc/34/76/76/206347676.db2.gz SIJIIKQTYKQIHP-KRWDZBQOSA-N 1 1 368.481 2.021 50 10 FECAMO COc1ccc(O)c(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039363122 205044879 /nfs/dbraw/zinc/04/48/79/205044879.db2.gz FAFZEXVXAFALSD-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(O)c(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039363122 205044885 /nfs/dbraw/zinc/04/48/85/205044885.db2.gz FAFZEXVXAFALSD-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(O)c(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c1 ZINC000039363122 205044889 /nfs/dbraw/zinc/04/48/89/205044889.db2.gz FAFZEXVXAFALSD-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO O=C(c1cccs1)c1coc2ccc(O)c(C[NH+](CCO)CCO)c21 ZINC000019881429 526838746 /nfs/dbraw/zinc/83/87/46/526838746.db2.gz SPVFABNLGKYEON-UHFFFAOYSA-N 1 1 361.419 2.218 50 10 FECAMO CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)NN1CC[NH+](C)CC1 ZINC000018246728 539648723 /nfs/dbraw/zinc/64/87/23/539648723.db2.gz HVSFCHCYJQMHRG-XDJHFCHBSA-N 1 1 371.485 2.224 50 10 FECAMO COc1cccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCOCC2)c1O ZINC000028617147 207968139 /nfs/dbraw/zinc/96/81/39/207968139.db2.gz DFFOLXUPFKVRIT-GOSISDBHSA-N 1 1 359.378 2.257 50 10 FECAMO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)cc1 ZINC000025436879 539760013 /nfs/dbraw/zinc/76/00/13/539760013.db2.gz LZVKBZLWNIQWMQ-QGZVFWFLSA-N 1 1 360.429 2.396 50 10 FECAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cccc(OC)c3)CC2)cc1 ZINC000053230825 536698222 /nfs/dbraw/zinc/69/82/22/536698222.db2.gz XLFVBMVKJUSYEX-UHFFFAOYSA-N 1 1 369.465 2.256 50 10 FECAMO CCOc1cccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)c1O ZINC000019744045 539668607 /nfs/dbraw/zinc/66/86/07/539668607.db2.gz RHMAMWQTYBWLEW-INIZCTEOSA-N 1 1 358.442 2.292 50 10 FECAMO CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NN1CC[NH+](C)CC1 ZINC000100423261 209213968 /nfs/dbraw/zinc/21/39/68/209213968.db2.gz HVSFCHCYJQMHRG-CYVLTUHYSA-N 1 1 371.485 2.224 50 10 FECAMO CC[NH+](CC)CC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C ZINC000014094155 539595067 /nfs/dbraw/zinc/59/50/67/539595067.db2.gz IDLJABDNRGYJLC-UHFFFAOYSA-N 1 1 363.483 2.266 50 10 FECAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CC(C)(C)CO)C3)CC2)cc1 ZINC000020541258 539675457 /nfs/dbraw/zinc/67/54/57/539675457.db2.gz CMELNRRWBCRIOC-IBGZPJMESA-N 1 1 361.530 2.300 50 10 FECAMO CCC(=O)NCc1nc2c(n1C)C[N@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000075541811 570617395 /nfs/dbraw/zinc/61/73/95/570617395.db2.gz HIEBFJNFQOOMCG-UHFFFAOYSA-N 1 1 355.486 2.071 50 10 FECAMO CCC(=O)NCc1nc2c(n1C)C[N@@H+](Cc1ccc(N(C)C)cc1)CC2 ZINC000075541811 570617398 /nfs/dbraw/zinc/61/73/98/570617398.db2.gz HIEBFJNFQOOMCG-UHFFFAOYSA-N 1 1 355.486 2.071 50 10 FECAMO COc1cccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCOCC2)c1O ZINC000028617149 539833781 /nfs/dbraw/zinc/83/37/81/539833781.db2.gz DFFOLXUPFKVRIT-SFHVURJKSA-N 1 1 359.378 2.257 50 10 FECAMO COc1cccc(O)c1C[N@H+]1C[C@@H]2C[NH+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000065404729 221213767 /nfs/dbraw/zinc/21/37/67/221213767.db2.gz DUDQNJPCBHCKKH-JLTOFOAXSA-N 1 1 360.454 2.162 50 10 FECAMO COc1cccc(O)c1C[NH+]1C[C@@H]2C[N@@H+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000065404729 221213770 /nfs/dbraw/zinc/21/37/70/221213770.db2.gz DUDQNJPCBHCKKH-JLTOFOAXSA-N 1 1 360.454 2.162 50 10 FECAMO COc1cccc(O)c1C[NH+]1C[C@@H]2C[N@H+](C3CCCC3)C[C@]2(C(=O)[O-])C1 ZINC000065404729 221213771 /nfs/dbraw/zinc/21/37/71/221213771.db2.gz DUDQNJPCBHCKKH-JLTOFOAXSA-N 1 1 360.454 2.162 50 10 FECAMO O=C(c1cn([C@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1)N1CCCCC1 ZINC000012028171 539541245 /nfs/dbraw/zinc/54/12/45/539541245.db2.gz CJXCJSCDWZKSIT-KRWDZBQOSA-N 1 1 369.469 2.447 50 10 FECAMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)c1O ZINC000022852428 539700732 /nfs/dbraw/zinc/70/07/32/539700732.db2.gz CHSDBYAQIWAFGN-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO COc1cccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)c1O ZINC000022852428 539700735 /nfs/dbraw/zinc/70/07/35/539700735.db2.gz CHSDBYAQIWAFGN-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)c1O ZINC000022852428 539700738 /nfs/dbraw/zinc/70/07/38/539700738.db2.gz CHSDBYAQIWAFGN-LJQANCHMSA-N 1 1 356.466 2.470 50 10 FECAMO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)cc1 ZINC000025436882 539759501 /nfs/dbraw/zinc/75/95/01/539759501.db2.gz LZVKBZLWNIQWMQ-KRWDZBQOSA-N 1 1 360.429 2.396 50 10 FECAMO O=C(NC1CCCC1)c1cn([C@H]2CCC[N@H+](Cc3ccccc3O)C2)nn1 ZINC000012031141 539540761 /nfs/dbraw/zinc/54/07/61/539540761.db2.gz ZLIJCHGUFSRMRU-KRWDZBQOSA-N 1 1 369.469 2.493 50 10 FECAMO COc1ccc([C@@H](c2cc3c(cc2O)OCO3)N2CC[NH+](C)CC2)cc1 ZINC000020719954 220338425 /nfs/dbraw/zinc/33/84/25/220338425.db2.gz KDCSPKYIRPCERU-FQEVSTJZSA-N 1 1 356.422 2.466 50 10 FECAMO