smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ncn(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c(=O)n(C)c1=O ZINC000002091085 570940004 /nfs/dbraw/zinc/94/00/04/570940004.db2.gz RGFYJVPOOIFGSG-OLZOCXBDSA-N 1 1 382.424 -0.328 50 0 biogenic GBAAMO CCCCCOC(=O)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000004949925 204096213 /nfs/dbraw/zinc/09/62/13/204096213.db2.gz ZFKZHRWEJGKEOT-UHFFFAOYSA-N 1 1 392.460 -0.092 50 0 GBAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)CO)C1 ZINC000005082986 570413672 /nfs/dbraw/zinc/41/36/72/570413672.db2.gz HWJSOOLREYOGKY-XQQFMLRXSA-N 1 1 379.461 -0.735 50 0 GBAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)CO)C1 ZINC000005082986 570413668 /nfs/dbraw/zinc/41/36/68/570413668.db2.gz HWJSOOLREYOGKY-XQQFMLRXSA-N 1 1 379.461 -0.735 50 0 GBAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)CO)C1 ZINC000005082988 204110043 /nfs/dbraw/zinc/11/00/43/204110043.db2.gz HWJSOOLREYOGKY-UPJWGTAASA-N 1 1 379.461 -0.735 50 0 GBAAMO C[NH+]1CCN(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000005577162 204142042 /nfs/dbraw/zinc/14/20/42/204142042.db2.gz KWIAMJPYQXEEJR-UHFFFAOYSA-N 1 1 398.485 -0.635 50 0 GBAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000006174501 570280953 /nfs/dbraw/zinc/28/09/53/570280953.db2.gz HIRPQTCBFNZNGL-HNNXBMFYSA-N 1 1 398.467 -0.081 50 0 GBAAMO Cn1c2nc(N3CC[NH+](C)CC3)n(C[C@@H](O)c3ccccc3)c2c(=O)n(C)c1=O ZINC000006174502 204169912 /nfs/dbraw/zinc/16/99/12/204169912.db2.gz HIRPQTCBFNZNGL-OAHLLOKOSA-N 1 1 398.467 -0.081 50 0 GBAAMO NC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000006553652 570476578 /nfs/dbraw/zinc/47/65/78/570476578.db2.gz NDRQSDWKCAMYOC-HNNXBMFYSA-N 1 1 394.497 -0.283 50 0 GBAAMO NC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000006553653 204183771 /nfs/dbraw/zinc/18/37/71/204183771.db2.gz NDRQSDWKCAMYOC-OAHLLOKOSA-N 1 1 394.497 -0.283 50 0 GBAAMO CNC(=O)CNC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000007875235 221014649 /nfs/dbraw/zinc/01/46/49/221014649.db2.gz NNZIJBFIMXXQDW-UHFFFAOYSA-N 1 1 376.413 -0.072 50 0 GBAAMO Cc1ccccc1Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3CC(N)=O)n(C)c1=O ZINC000008725083 221052605 /nfs/dbraw/zinc/05/26/05/221052605.db2.gz RFLOSJJMIWXLIF-UHFFFAOYSA-N 1 1 395.423 -0.065 50 0 GBAAMO CC1=[NH+]N(CC(N)=O)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C1 ZINC000009421228 221080373 /nfs/dbraw/zinc/08/03/73/221080373.db2.gz IMVZVPJGRPUULZ-UHFFFAOYSA-N 1 1 381.396 -0.374 50 0 GBAAMO Cc1cccc(Cn2c(=O)c3c(nc4n3CC(C)=[NH+]N4CC(N)=O)n(C)c2=O)c1 ZINC000010387147 209338569 /nfs/dbraw/zinc/33/85/69/209338569.db2.gz WNYRBFHHFZOQCG-UHFFFAOYSA-N 1 1 395.423 -0.065 50 0 GBAAMO O=C(C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)N1CC[NH+](CCO)CC1 ZINC000011661282 204347409 /nfs/dbraw/zinc/34/74/09/204347409.db2.gz AEZICPWQKBIRRS-KRWDZBQOSA-N 1 1 396.438 -0.208 50 0 GBAAMO O=C(C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1)N1CC[NH+](CCO)CC1 ZINC000011661283 221118416 /nfs/dbraw/zinc/11/84/16/221118416.db2.gz AEZICPWQKBIRRS-QGZVFWFLSA-N 1 1 396.438 -0.208 50 0 GBAAMO Cc1cc(C(=O)N2CCN(C)CC2)nn1CC(=O)NCCC[NH+]1CCOCC1 ZINC000011928148 570449242 /nfs/dbraw/zinc/44/92/42/570449242.db2.gz NABZKLVYVOZSBT-UHFFFAOYSA-N 1 1 392.504 -0.582 50 0 GBAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)CO)C1 ZINC000012033712 204368540 /nfs/dbraw/zinc/36/85/40/204368540.db2.gz HWJSOOLREYOGKY-JHJVBQTASA-N 1 1 379.461 -0.735 50 0 GBAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)CO)C1 ZINC000012033714 570956096 /nfs/dbraw/zinc/95/60/96/570956096.db2.gz HWJSOOLREYOGKY-FRRDWIJNSA-N 1 1 379.461 -0.735 50 0 GBAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)CO)C1 ZINC000012033714 570956090 /nfs/dbraw/zinc/95/60/90/570956090.db2.gz HWJSOOLREYOGKY-FRRDWIJNSA-N 1 1 379.461 -0.735 50 0 GBAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCN1CCOC1=O ZINC000012090887 570607032 /nfs/dbraw/zinc/60/70/32/570607032.db2.gz VHRZYXLFYMMMMN-KRWDZBQOSA-N 1 1 386.452 -0.087 50 0 GBAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCN1CCOC1=O ZINC000012090887 570607031 /nfs/dbraw/zinc/60/70/31/570607031.db2.gz VHRZYXLFYMMMMN-KRWDZBQOSA-N 1 1 386.452 -0.087 50 0 GBAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCN1CCOC1=O ZINC000012090892 570607027 /nfs/dbraw/zinc/60/70/27/570607027.db2.gz VHRZYXLFYMMMMN-QGZVFWFLSA-N 1 1 386.452 -0.087 50 0 GBAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCN1CCOC1=O ZINC000012090892 570607024 /nfs/dbraw/zinc/60/70/24/570607024.db2.gz VHRZYXLFYMMMMN-QGZVFWFLSA-N 1 1 386.452 -0.087 50 0 GBAAMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012275066 570631891 /nfs/dbraw/zinc/63/18/91/570631891.db2.gz PEPLAHRABJBNNJ-GFCCVEGCSA-N 1 1 380.470 0.000 50 0 GBAAMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C ZINC000012275068 204387395 /nfs/dbraw/zinc/38/73/95/204387395.db2.gz PEPLAHRABJBNNJ-LBPRGKRZSA-N 1 1 380.470 0.000 50 0 GBAAMO COc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000012474625 570673291 /nfs/dbraw/zinc/67/32/91/570673291.db2.gz CLBRRUATNUIWOJ-KRWDZBQOSA-N 1 1 390.484 -0.478 50 0 GBAAMO COc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)N1CC[NH+](CCO)CC1 ZINC000012474630 570673294 /nfs/dbraw/zinc/67/32/94/570673294.db2.gz CLBRRUATNUIWOJ-QGZVFWFLSA-N 1 1 390.484 -0.478 50 0 GBAAMO O=C(C[C@H]1C(=O)NCCN1Cc1ccccc1F)N1CC[NH+](CCO)CC1 ZINC000012717142 221221296 /nfs/dbraw/zinc/22/12/96/221221296.db2.gz AGCOFGZELSUXOJ-KRWDZBQOSA-N 1 1 378.448 -0.347 50 0 GBAAMO O=C(C[C@@H]1C(=O)NCCN1Cc1ccccc1F)N1CC[NH+](CCO)CC1 ZINC000012717144 570704842 /nfs/dbraw/zinc/70/48/42/570704842.db2.gz AGCOFGZELSUXOJ-QGZVFWFLSA-N 1 1 378.448 -0.347 50 0 GBAAMO COC(=O)CC[NH+]1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000012878143 221241685 /nfs/dbraw/zinc/24/16/85/221241685.db2.gz KQXSIKIRMCFOGU-UHFFFAOYSA-N 1 1 398.485 -0.212 50 0 GBAAMO O=C(CN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1)N1CCCC1 ZINC000013690532 210080816 /nfs/dbraw/zinc/08/08/16/210080816.db2.gz CJKZGYQNCJJVSA-UHFFFAOYSA-N 1 1 383.562 -0.177 50 0 GBAAMO O=C(CN1CCN(C(=S)NCCC[NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000013721893 221284431 /nfs/dbraw/zinc/28/44/31/221284431.db2.gz LACBCODENCBGIK-UHFFFAOYSA-N 1 1 399.561 -0.940 50 0 GBAAMO CCOC(=O)CNC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678748 207054268 /nfs/dbraw/zinc/05/42/68/207054268.db2.gz BICCBWMFXQVEHU-UHFFFAOYSA-N 1 1 375.433 -0.512 50 0 GBAAMO CCOC(=O)[C@@H](C)NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678766 207054884 /nfs/dbraw/zinc/05/48/84/207054884.db2.gz YOJLWOYEKIPAOB-CYBMUJFWSA-N 1 1 389.460 -0.124 50 0 GBAAMO CCOC(=O)[C@H](C)NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000015678767 221340442 /nfs/dbraw/zinc/34/04/42/221340442.db2.gz YOJLWOYEKIPAOB-ZDUSSCGKSA-N 1 1 389.460 -0.124 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016021953 210183590 /nfs/dbraw/zinc/18/35/90/210183590.db2.gz WJAWSOJHTWSPNI-IUWMUCMRSA-N 1 1 390.371 -0.932 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2cc(F)ccc2NC1=O ZINC000016021954 207070031 /nfs/dbraw/zinc/07/00/31/207070031.db2.gz WJAWSOJHTWSPNI-KTMFAHBVSA-N 1 1 390.371 -0.932 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022037 221354762 /nfs/dbraw/zinc/35/47/62/221354762.db2.gz BGYYNXORXNANIB-UKJHCGGJSA-N 1 1 391.399 -0.037 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000016022107 210183930 /nfs/dbraw/zinc/18/39/30/210183930.db2.gz DIQKBRZOZFXDEA-MAUHSQPMSA-N 1 1 377.372 -0.427 50 0 GBAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 ZINC000016022266 210184118 /nfs/dbraw/zinc/18/41/18/210184118.db2.gz CJRJKVFAPVPGOC-JTUDCMKOSA-N 1 1 387.436 -0.003 50 0 GBAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 ZINC000016022268 570912107 /nfs/dbraw/zinc/91/21/07/570912107.db2.gz CJRJKVFAPVPGOC-ANRHTMQCSA-N 1 1 387.436 -0.003 50 0 GBAAMO C[C@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]12 ZINC000016026492 570309328 /nfs/dbraw/zinc/30/93/28/570309328.db2.gz KUMWGWASVPOGJW-OJEDBKEBSA-N 1 1 385.420 -0.033 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016034083 570912487 /nfs/dbraw/zinc/91/24/87/570912487.db2.gz ZDWZIKLQEKLNDS-IBWPGLOJSA-N 1 1 386.408 -0.681 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@@]21c2ccccc2NC1=O ZINC000016034084 570912541 /nfs/dbraw/zinc/91/25/41/570912541.db2.gz ZDWZIKLQEKLNDS-WGDDSDEBSA-N 1 1 386.408 -0.681 50 0 GBAAMO Cc1cccc(Cn2c(N3CC[NH+](CCO)CC3)nc3c2c(=O)[nH]c(=O)n3C)c1 ZINC000019235098 570965600 /nfs/dbraw/zinc/96/56/00/570965600.db2.gz DKPYWMFYDPZRHB-UHFFFAOYSA-N 1 1 398.467 -0.106 50 0 GBAAMO Cn1c2c(ncn2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000019871682 207168076 /nfs/dbraw/zinc/16/80/76/207168076.db2.gz VCPZCACMPBUDPH-UHFFFAOYSA-N 1 1 396.451 -0.222 50 0 GBAAMO Cn1c2nc(N3CC[NH+](CCO)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000019879839 210305053 /nfs/dbraw/zinc/30/50/53/210305053.db2.gz WRFQDONGMCOQBN-UHFFFAOYSA-N 1 1 384.440 -0.414 50 0 GBAAMO C/C(Cl)=C/Cn1c(N2CC[NH+](CCO)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000019999769 210309810 /nfs/dbraw/zinc/30/98/10/210309810.db2.gz TZNCDNIABGOCRC-JYOAFUTRSA-N 1 1 382.852 -0.320 50 0 GBAAMO C/C(Cl)=C\Cn1c(N2CC[NH+](CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000019999772 570234410 /nfs/dbraw/zinc/23/44/10/570234410.db2.gz BMBGLPDZQVNYFX-UUILKARUSA-N 1 1 396.879 -0.309 50 0 GBAAMO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H](C)C(C)=O)CC1 ZINC000020026514 570235544 /nfs/dbraw/zinc/23/55/44/570235544.db2.gz SWYDKPBZFBYUOJ-LBPRGKRZSA-N 1 1 376.461 -0.279 50 0 GBAAMO CC[NH+]1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H](C)C(C)=O)CC1 ZINC000020026516 207174856 /nfs/dbraw/zinc/17/48/56/207174856.db2.gz SWYDKPBZFBYUOJ-GFCCVEGCSA-N 1 1 376.461 -0.279 50 0 GBAAMO CC(=O)Cn1c(=O)c2c(nc3n2cc(C)n3CC[NH+]2CCOCC2)n(C)c1=O ZINC000020062045 210314404 /nfs/dbraw/zinc/31/44/04/210314404.db2.gz RKPSYUOOXIXTSD-UHFFFAOYSA-N 1 1 388.428 -0.621 50 0 GBAAMO O=C(Cn1nnnc1CN1CCOCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020205185 570247634 /nfs/dbraw/zinc/24/76/34/570247634.db2.gz VIJIRAATIZJZPH-QGZVFWFLSA-N 1 1 385.472 -0.104 50 0 GBAAMO O=C(Cn1nnnc1CN1CCOCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020205190 207181467 /nfs/dbraw/zinc/18/14/67/207181467.db2.gz VIJIRAATIZJZPH-KRWDZBQOSA-N 1 1 385.472 -0.104 50 0 GBAAMO C[NH+]1CCN(CC(=O)NN2CC(=O)N(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000020432184 570255619 /nfs/dbraw/zinc/25/56/19/570255619.db2.gz YOHOTXYWEHUSRR-UHFFFAOYSA-N 1 1 379.848 -0.206 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000020548425 570267694 /nfs/dbraw/zinc/26/76/94/570267694.db2.gz WJAWSOJHTWSPNI-GNTLTTKYSA-N 1 1 390.371 -0.932 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2cc(F)ccc2NC1=O ZINC000020548427 570267516 /nfs/dbraw/zinc/26/75/16/570267516.db2.gz WJAWSOJHTWSPNI-MHMFGPJMSA-N 1 1 390.371 -0.932 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000020548443 570267528 /nfs/dbraw/zinc/26/75/28/570267528.db2.gz ZDWZIKLQEKLNDS-NFWAQSGPSA-N 1 1 386.408 -0.681 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](CC(N)=O)[NH2+][C@]21c2ccccc2NC1=O ZINC000020548445 570267478 /nfs/dbraw/zinc/26/74/78/570267478.db2.gz ZDWZIKLQEKLNDS-OUFKLWKOSA-N 1 1 386.408 -0.681 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000020548657 210345844 /nfs/dbraw/zinc/34/58/44/210345844.db2.gz BGYYNXORXNANIB-UEKNLZFZSA-N 1 1 391.399 -0.037 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@]21C(=O)Nc2ccc(F)cc21 ZINC000020548851 210345016 /nfs/dbraw/zinc/34/50/16/210345016.db2.gz DIQKBRZOZFXDEA-MYAGOPIHSA-N 1 1 377.372 -0.427 50 0 GBAAMO Cc1cccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C)CC2)c1 ZINC000020555894 210345177 /nfs/dbraw/zinc/34/51/77/210345177.db2.gz OXHDEBMCHUOMLZ-KRWDZBQOSA-N 1 1 387.484 -0.102 50 0 GBAAMO Cc1cccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](C)CC2)c1 ZINC000020555897 210346126 /nfs/dbraw/zinc/34/61/26/210346126.db2.gz OXHDEBMCHUOMLZ-QGZVFWFLSA-N 1 1 387.484 -0.102 50 0 GBAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000020555900 570267646 /nfs/dbraw/zinc/26/76/46/570267646.db2.gz ZYJMCDDHTVSKQQ-INIZCTEOSA-N 1 1 391.447 -0.271 50 0 GBAAMO C[NH+]1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1 ZINC000020555903 570267423 /nfs/dbraw/zinc/26/74/23/570267423.db2.gz ZYJMCDDHTVSKQQ-MRXNPFEDSA-N 1 1 391.447 -0.271 50 0 GBAAMO CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC000020582467 207205093 /nfs/dbraw/zinc/20/50/93/207205093.db2.gz CUGLXEOQPGUQNY-UHFFFAOYSA-N 1 1 386.474 -0.139 50 0 GBAAMO COCCNC(=O)c1ccccc1NC(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000020647721 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Cn1nccc1CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000097729640 208361766 /nfs/dbraw/zinc/36/17/66/208361766.db2.gz MXIYNYOBHBSRJD-UHFFFAOYSA-N 1 1 377.470 -0.014 50 0 GBAAMO NC(=O)C[C@@H]1[NH2+][C@@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12 ZINC000100783014 570445533 /nfs/dbraw/zinc/44/55/33/570445533.db2.gz PKCGZXQZMLKZHO-IQHVAJKOSA-N 1 1 398.419 -0.539 50 0 biogenic GBAAMO CS(=O)(=O)N1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC000102545115 570289823 /nfs/dbraw/zinc/28/98/23/570289823.db2.gz AYHAIDICAXTFNH-IMRBUKKESA-N 1 1 379.486 -0.490 50 0 GBAAMO O=S1(=O)C[C@@H]2NCCN(c3cc[nH+]c(N4C[C@H]5CC[C@@H](C4)[C@H]5O)n3)[C@@H]2C1 ZINC000102573230 136190246 /nfs/dbraw/zinc/19/02/46/136190246.db2.gz RWIHXTRCYXESIC-OJKRMQCYSA-N 1 1 379.486 -0.741 50 0 GBAAMO COCCN1C(=O)C(=C(C)NCC(C)(C)[NH+]2CCOCC2)C(=O)NC1=S ZINC000105209806 570919417 /nfs/dbraw/zinc/91/94/17/570919417.db2.gz WYVHTTNZMDRKFF-OUKQBFOZSA-N 1 1 384.502 -0.150 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000105351376 570921901 /nfs/dbraw/zinc/92/19/01/570921901.db2.gz BGYYNXORXNANIB-POKHYADKSA-N 1 1 391.399 -0.037 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000105351539 570922006 /nfs/dbraw/zinc/92/20/06/570922006.db2.gz DIQKBRZOZFXDEA-UZLLUDBASA-N 1 1 377.372 -0.427 50 0 GBAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 ZINC000105351928 570922206 /nfs/dbraw/zinc/92/22/06/570922206.db2.gz CJRJKVFAPVPGOC-XGYURREPSA-N 1 1 387.436 -0.003 50 0 GBAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(CCOC)C(=O)[C@H]21 ZINC000105351934 570922150 /nfs/dbraw/zinc/92/21/50/570922150.db2.gz CJRJKVFAPVPGOC-WQWSPGPQSA-N 1 1 387.436 -0.003 50 0 GBAAMO C[N@H+]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@]12CCNC(=O)CC2 ZINC000107419959 570309932 /nfs/dbraw/zinc/30/99/32/570309932.db2.gz PTIRVMWBWKLHIO-QGZVFWFLSA-N 1 1 393.469 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CN1CCO[C@@H](C(=O)Nc2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)ccn2)C1 ZINC000108393342 570988509 /nfs/dbraw/zinc/98/85/09/570988509.db2.gz OXPHFVWONVJMRD-HUUCEWRRSA-N 1 1 377.445 -0.703 50 0 GBAAMO CN1CCO[C@@H](C(=O)Nc2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)ccn2)C1 ZINC000108393342 570988505 /nfs/dbraw/zinc/98/85/05/570988505.db2.gz OXPHFVWONVJMRD-HUUCEWRRSA-N 1 1 377.445 -0.703 50 0 GBAAMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000170602453 570861066 /nfs/dbraw/zinc/86/10/66/570861066.db2.gz VZBCZZYBOSFENW-GFCCVEGCSA-N 1 1 389.456 -0.451 50 0 GBAAMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 ZINC000170602454 570861099 /nfs/dbraw/zinc/86/10/99/570861099.db2.gz VZBCZZYBOSFENW-LBPRGKRZSA-N 1 1 389.456 -0.451 50 0 GBAAMO CCOC(=O)c1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000170603389 570862822 /nfs/dbraw/zinc/86/28/22/570862822.db2.gz UTOHQDRDVFIICS-UHFFFAOYSA-N 1 1 376.413 -0.234 50 0 GBAAMO O=C(c1cccc(S(=O)(=O)NC[C@H](O)C[NH+]2CCCC2)c1)N1CCNCC1 ZINC000215087603 570285279 /nfs/dbraw/zinc/28/52/79/570285279.db2.gz NNEDAKULIAWZGC-INIZCTEOSA-N 1 1 396.513 -0.533 50 0 GBAAMO O=C(c1cccc(S(=O)(=O)NC[C@@H](O)C[NH+]2CCCC2)c1)N1CCNCC1 ZINC000215087649 570285242 /nfs/dbraw/zinc/28/52/42/570285242.db2.gz NNEDAKULIAWZGC-MRXNPFEDSA-N 1 1 396.513 -0.533 50 0 GBAAMO O=C(NCCCn1cncn1)c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000215342663 570287479 /nfs/dbraw/zinc/28/74/79/570287479.db2.gz AGXAZZFJQNRKSW-UHFFFAOYSA-N 1 1 378.458 -0.308 50 0 GBAAMO CN(CCc1ncon1)C(=O)c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000215622114 570290483 /nfs/dbraw/zinc/29/04/83/570290483.db2.gz ZNTXFVNPCICZNB-UHFFFAOYSA-N 1 1 379.442 -0.022 50 0 GBAAMO O=C(NCCCn1ccnn1)c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1 ZINC000215981535 570294282 /nfs/dbraw/zinc/29/42/82/570294282.db2.gz KASBMTHQVHWQRH-UHFFFAOYSA-N 1 1 378.458 -0.308 50 0 GBAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCS(C)(=O)=O)c2)CC[NH2+]1 ZINC000216375124 530191094 /nfs/dbraw/zinc/19/10/94/530191094.db2.gz NOICCFQYQBUZQQ-GFCCVEGCSA-N 1 1 389.499 -0.557 50 0 GBAAMO CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000219938691 570378666 /nfs/dbraw/zinc/37/86/66/570378666.db2.gz GBRZIXFMTSCQOC-BZZMCLGOSA-N 1 1 379.482 -0.134 50 0 GBAAMO CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000219938691 570378665 /nfs/dbraw/zinc/37/86/65/570378665.db2.gz GBRZIXFMTSCQOC-BZZMCLGOSA-N 1 1 379.482 -0.134 50 0 GBAAMO COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000220557534 570388565 /nfs/dbraw/zinc/38/85/65/570388565.db2.gz INGLFJFKTLAKMN-MRXNPFEDSA-N 1 1 377.441 -0.311 50 0 GBAAMO COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000220557534 570388564 /nfs/dbraw/zinc/38/85/64/570388564.db2.gz INGLFJFKTLAKMN-MRXNPFEDSA-N 1 1 377.441 -0.311 50 0 GBAAMO COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000220557602 570388559 /nfs/dbraw/zinc/38/85/59/570388559.db2.gz INGLFJFKTLAKMN-INIZCTEOSA-N 1 1 377.441 -0.311 50 0 GBAAMO COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)N1CCOc2ccc(CO)cc2C1 ZINC000220557602 570388558 /nfs/dbraw/zinc/38/85/58/570388558.db2.gz INGLFJFKTLAKMN-INIZCTEOSA-N 1 1 377.441 -0.311 50 0 GBAAMO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000223076815 570441505 /nfs/dbraw/zinc/44/15/05/570441505.db2.gz ZYRWYUJTADLYPD-GJQVQUKXSA-N 1 1 380.426 -0.788 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000229659866 222710927 /nfs/dbraw/zinc/71/09/27/222710927.db2.gz DIQKBRZOZFXDEA-CNJNCWCRSA-N 1 1 377.372 -0.427 50 0 GBAAMO NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@H]21 ZINC000229672285 209188307 /nfs/dbraw/zinc/18/83/07/209188307.db2.gz PKCGZXQZMLKZHO-AMYRQZOMSA-N 1 1 398.419 -0.539 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@H]([C@@H](C)O)[NH2+][C@@]21C(=O)Nc2ccc(F)cc21 ZINC000229891479 570667413 /nfs/dbraw/zinc/66/74/13/570667413.db2.gz BGYYNXORXNANIB-FVMVMODRSA-N 1 1 391.399 -0.037 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NC(=O)C[C@@H]1[NH2+][C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(C[C@H]3CCCO3)C(=O)[C@H]21 ZINC000247745495 570237825 /nfs/dbraw/zinc/23/78/25/570237825.db2.gz PKCGZXQZMLKZHO-VDZCHHGYSA-N 1 1 398.419 -0.539 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@@]3(c4cc(F)ccc4NC3=O)[C@H]2C1=O ZINC000247902935 570388967 /nfs/dbraw/zinc/38/89/67/570388967.db2.gz WJAWSOJHTWSPNI-UTDUODGLSA-N 1 1 390.371 -0.932 50 0 GBAAMO COCCN1C(=O)[C@@H]2[C@H](CC(N)=O)[NH2+][C@]3(c4cc(F)ccc4NC3=O)[C@H]2C1=O ZINC000247902942 570388982 /nfs/dbraw/zinc/38/89/82/570388982.db2.gz WJAWSOJHTWSPNI-VMXFXAJASA-N 1 1 390.371 -0.932 50 0 GBAAMO COCCCN1C(=O)[C@@H]2[C@H]([C@H](C)O)[NH2+][C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C1=O ZINC000253380657 523291886 /nfs/dbraw/zinc/29/18/86/523291886.db2.gz BGYYNXORXNANIB-ULTDBKEXSA-N 1 1 391.399 -0.037 50 0 GBAAMO COCCN1C(=O)CN(C2CC[NH+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000253396141 212136433 /nfs/dbraw/zinc/13/64/33/212136433.db2.gz DFCAWYFPVQVXGE-GASCZTMLSA-N 1 1 396.488 -0.003 50 0 GBAAMO COCCN1C(=O)CN(C2CC[NH+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000253396144 209216846 /nfs/dbraw/zinc/21/68/46/209216846.db2.gz DFCAWYFPVQVXGE-GJZGRUSLSA-N 1 1 396.488 -0.003 50 0 GBAAMO COCCN1C(=O)CN(C2CC[NH+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000253396148 212136474 /nfs/dbraw/zinc/13/64/74/212136474.db2.gz DFCAWYFPVQVXGE-HUUCEWRRSA-N 1 1 396.488 -0.003 50 0 GBAAMO Cn1c2ncn(CC[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c(=O)n(C)c1=O ZINC000263584919 570907791 /nfs/dbraw/zinc/90/77/91/570907791.db2.gz CCWSJFITBQNYMS-UONOGXRCSA-N 1 1 396.451 -0.285 50 0 biogenic GBAAMO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1nc[nH]n1 ZINC000299766302 570893413 /nfs/dbraw/zinc/89/34/13/570893413.db2.gz IHJGEIIIWHFQNP-HNNXBMFYSA-N 1 1 376.461 -0.116 50 0 GBAAMO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ncn[nH]1 ZINC000299766302 570893403 /nfs/dbraw/zinc/89/34/03/570893403.db2.gz IHJGEIIIWHFQNP-HNNXBMFYSA-N 1 1 376.461 -0.116 50 0 GBAAMO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1nc[nH]n1 ZINC000299766304 570893223 /nfs/dbraw/zinc/89/32/23/570893223.db2.gz IHJGEIIIWHFQNP-OAHLLOKOSA-N 1 1 376.461 -0.116 50 0 GBAAMO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1ncn[nH]1 ZINC000299766304 570893218 /nfs/dbraw/zinc/89/32/18/570893218.db2.gz IHJGEIIIWHFQNP-OAHLLOKOSA-N 1 1 376.461 -0.116 50 0 GBAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC000299766857 570893624 /nfs/dbraw/zinc/89/36/24/570893624.db2.gz SYAKDPJJZDCIOG-ZIAGYGMSSA-N 1 1 377.401 -0.544 50 0 GBAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2cn(C)c(=O)[nH]c2=O)[C@H](O)C1 ZINC000299766857 570893622 /nfs/dbraw/zinc/89/36/22/570893622.db2.gz SYAKDPJJZDCIOG-ZIAGYGMSSA-N 1 1 377.401 -0.544 50 0 GBAAMO CN(C)C(=O)C[N@H+]1CC[C@@H](NC(=O)CCc2[nH]nc3c2CCCC3)[C@H](O)C1 ZINC000299784938 570895570 /nfs/dbraw/zinc/89/55/70/570895570.db2.gz IKGSGAGYNFUATQ-IAGOWNOFSA-N 1 1 377.489 -0.139 50 0 GBAAMO CN(C)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]nc3c2CCCC3)[C@H](O)C1 ZINC000299784938 570895567 /nfs/dbraw/zinc/89/55/67/570895567.db2.gz IKGSGAGYNFUATQ-IAGOWNOFSA-N 1 1 377.489 -0.139 50 0 GBAAMO O=C(NC[C@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cnn[nH]1 ZINC000299788827 212039219 /nfs/dbraw/zinc/03/92/19/212039219.db2.gz XZMOBBZOPOCCKV-HNNXBMFYSA-N 1 1 376.461 -0.116 50 0 GBAAMO O=C(NC[C@@H]1CN(CC2CC[NH+](CC3CC3)CC2)C(=O)CO1)c1cnn[nH]1 ZINC000299788830 212038657 /nfs/dbraw/zinc/03/86/57/212038657.db2.gz XZMOBBZOPOCCKV-OAHLLOKOSA-N 1 1 376.461 -0.116 50 0 GBAAMO C[C@@H](O)C(=O)N1CCN(CC2(C[NH+]3CCN(C(=O)[C@@H](C)O)CC3)CCC2)CC1 ZINC000328596237 209145506 /nfs/dbraw/zinc/14/55/06/209145506.db2.gz YIHCWBDLOUEPEY-IAGOWNOFSA-N 1 1 396.532 -0.793 50 0 GBAAMO C[C@H](O)C(=O)N1CCN(CC2(C[NH+]3CCN(C(=O)[C@H](C)O)CC3)CCC2)CC1 ZINC000328596238 209145415 /nfs/dbraw/zinc/14/54/15/209145415.db2.gz YIHCWBDLOUEPEY-IRXDYDNUSA-N 1 1 396.532 -0.793 50 0 GBAAMO CC(=O)N1CC[C@@H](NC(=O)c2cnc(N3CC[NH+](C)CC3)nc2C)[C@H](O)C1 ZINC000426369121 526652182 /nfs/dbraw/zinc/65/21/82/526652182.db2.gz FTSJHRDDJFCJNY-HZPDHXFCSA-N 1 1 376.461 -0.752 50 0 GBAAMO CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426379613 527172212 /nfs/dbraw/zinc/17/22/12/527172212.db2.gz DKDPXQHFWDDXOK-HUUCEWRRSA-N 1 1 379.461 -0.658 50 0 GBAAMO CC(=O)c1c(C)nn(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2O)c1C ZINC000426379613 527172208 /nfs/dbraw/zinc/17/22/08/527172208.db2.gz DKDPXQHFWDDXOK-HUUCEWRRSA-N 1 1 379.461 -0.658 50 0 GBAAMO Cn1nnnc1SCCNc1cc([C@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426380300 1072949504 /nfs/dbraw/zinc/94/95/04/1072949504.db2.gz FGGGCJPVBMPYSW-JTQLQIEISA-N 1 1 378.462 -0.111 50 0 GBAAMO Cn1nnnc1SCCNc1cc([C@@H]2CCOC2)[nH+]c(N2CC(O)C2)n1 ZINC000426380310 1072949270 /nfs/dbraw/zinc/94/92/70/1072949270.db2.gz FGGGCJPVBMPYSW-SNVBAGLBSA-N 1 1 378.462 -0.111 50 0 GBAAMO COc1ccc(C(=O)N2CCN(c3cc(=O)[nH]c(N)n3)CC2)cc1OCC[NH3+] ZINC000426419992 1072956960 /nfs/dbraw/zinc/95/69/60/1072956960.db2.gz LQKBGQUPTRKVKC-UHFFFAOYSA-N 1 1 388.428 0.073 50 0 GBAAMO CCNC(=O)CN1CCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426486039 1072966722 /nfs/dbraw/zinc/96/67/22/1072966722.db2.gz VDAYRDAUZCPRLX-AWEZNQCLSA-N 1 1 378.477 -0.357 50 0 GBAAMO CCNC(=O)CN1CCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1 ZINC000426486043 1072966673 /nfs/dbraw/zinc/96/66/73/1072966673.db2.gz VDAYRDAUZCPRLX-CQSZACIVSA-N 1 1 378.477 -0.357 50 0 GBAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 ZINC000426489438 534356909 /nfs/dbraw/zinc/35/69/09/534356909.db2.gz XSFAICOHGSWDJK-HZPDHXFCSA-N 1 1 375.429 -0.092 50 0 GBAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)Cn2nc(C)ccc2=O)[C@H](O)C1 ZINC000426489438 534356904 /nfs/dbraw/zinc/35/69/04/534356904.db2.gz XSFAICOHGSWDJK-HZPDHXFCSA-N 1 1 375.429 -0.092 50 0 GBAAMO Cc1noc(C)c1CN1CC[C@@H](NC(=O)CN2CCC[N@H+](C)CC2)[C@H](O)C1 ZINC000426590023 534359030 /nfs/dbraw/zinc/35/90/30/534359030.db2.gz SDKIZITYMGSIGG-QZTJIDSGSA-N 1 1 379.505 -0.020 50 0 GBAAMO COC1(CS(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCOCC1 ZINC000864097750 638259334 /nfs/dbraw/zinc/25/93/34/638259334.db2.gz SQFJSDRYAMZQTJ-AWEZNQCLSA-N 1 1 375.491 -0.592 50 0 GBAAMO COC1(CS(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCOCC1 ZINC000864097751 638259534 /nfs/dbraw/zinc/25/95/34/638259534.db2.gz SQFJSDRYAMZQTJ-CQSZACIVSA-N 1 1 375.491 -0.592 50 0 GBAAMO C[C@H](O)C[N@H+]1CCN(c2ncnc3c2ncn3C[C@@]2(O)CCOC2)C[C@@H]1C ZINC000888097186 1073637493 /nfs/dbraw/zinc/63/74/93/1073637493.db2.gz DKKFHOSQPAPBKJ-DEYYWGMASA-N 1 1 376.461 -0.131 50 0 GBAAMO C[C@H](O)C[N@H+]1CCN(c2ncnc3c2ncn3C[C@@]2(O)CCOC2)C[C@H]1C ZINC000888097187 1073637466 /nfs/dbraw/zinc/63/74/66/1073637466.db2.gz DKKFHOSQPAPBKJ-GLJUWKHASA-N 1 1 376.461 -0.131 50 0 GBAAMO C[C@H](O)C[N@H+]1CCN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)C[C@H]1C ZINC000888097188 1073637568 /nfs/dbraw/zinc/63/75/68/1073637568.db2.gz DKKFHOSQPAPBKJ-QWQRMKEZSA-N 1 1 376.461 -0.131 50 0 GBAAMO C[C@H](O)C[N@H+]1CCN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)C[C@@H]1C ZINC000888097189 1073637402 /nfs/dbraw/zinc/63/74/02/1073637402.db2.gz DKKFHOSQPAPBKJ-SUNYJGFJSA-N 1 1 376.461 -0.131 50 0 GBAAMO CC1(C)CN(c2ncnc3c2ncn3CC2(CO)COC2)CC[N@H+]1CCO ZINC000888097308 1073637525 /nfs/dbraw/zinc/63/75/25/1073637525.db2.gz HEXLYOFXDRRLPP-UHFFFAOYSA-N 1 1 376.461 -0.272 50 0 GBAAMO C[N@@H+](CCO)C1CCN(c2ncnc3c2ncn3C[C@]2(O)CCOC2)CC1 ZINC000888097416 1073637606 /nfs/dbraw/zinc/63/76/06/1073637606.db2.gz IPZYLBDYPAWWIZ-GOSISDBHSA-N 1 1 376.461 -0.129 50 0 GBAAMO C[N@@H+](CCO)C1CCN(c2ncnc3c2ncn3C[C@@]2(O)CCOC2)CC1 ZINC000888097417 1073637593 /nfs/dbraw/zinc/63/75/93/1073637593.db2.gz IPZYLBDYPAWWIZ-SFHVURJKSA-N 1 1 376.461 -0.129 50 0 GBAAMO CC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@@H+](C)CC ZINC000952977078 638351522 /nfs/dbraw/zinc/35/15/22/638351522.db2.gz JELJRJPLOPPOME-HNNXBMFYSA-N 1 1 375.539 -0.647 50 0 GBAAMO CC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)[N@@H+](C)CC ZINC000952977091 638351570 /nfs/dbraw/zinc/35/15/70/638351570.db2.gz JELJRJPLOPPOME-OAHLLOKOSA-N 1 1 375.539 -0.647 50 0 GBAAMO