smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C[C@H](C)[NH2+]C1CC[NH+](C)CC1 157241691 534665537 /nfs/dbraw/zinc/66/55/37/534665537.db2.gz IGOSSHJUYYXLCC-VIFPVBQESA-N 2 1 168.284 1.245 20 30 ADEDMP C=C[C@H](C)[NH2+]C1CC[NH+](CC)CC1 157281633 538020522 /nfs/dbraw/zinc/02/05/22/538020522.db2.gz SXZYWRYBQHYYOE-JTQLQIEISA-N 2 1 182.311 1.635 20 30 ADEDMP C=C[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 157281770 538020633 /nfs/dbraw/zinc/02/06/33/538020633.db2.gz SXZYWRYBQHYYOE-SNVBAGLBSA-N 2 1 182.311 1.635 20 30 ADEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 159987474 538039236 /nfs/dbraw/zinc/03/92/36/538039236.db2.gz GOMLZFSOMSZNIE-QJPTWQEYSA-N 2 1 194.322 1.777 20 30 ADEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 159987740 538039299 /nfs/dbraw/zinc/03/92/99/538039299.db2.gz GOMLZFSOMSZNIE-SDDRHHMPSA-N 2 1 194.322 1.777 20 30 ADEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 252703110 538272248 /nfs/dbraw/zinc/27/22/48/538272248.db2.gz GOMLZFSOMSZNIE-TUAOUCFPSA-N 2 1 194.322 1.777 20 30 ADEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 252703109 538272954 /nfs/dbraw/zinc/27/29/54/538272954.db2.gz GOMLZFSOMSZNIE-SRVKXCTJSA-N 2 1 194.322 1.777 20 30 ADEDMP C=CCN(C)CCC[N@@H+](C)CC=C 388712621 538436793 /nfs/dbraw/zinc/43/67/93/538436793.db2.gz PYGCPYGESPEHSG-UHFFFAOYSA-N 2 1 182.311 1.612 20 30 ADEDMP C=CC[NH+](C)CCC[N@@H+](C)CC=C 388712621 538436794 /nfs/dbraw/zinc/43/67/94/538436794.db2.gz PYGCPYGESPEHSG-UHFFFAOYSA-N 2 1 182.311 1.612 20 30 ADEDMP C=CC[NH+](C)CCC[N@H+](C)CC=C 388712621 538436795 /nfs/dbraw/zinc/43/67/95/538436795.db2.gz PYGCPYGESPEHSG-UHFFFAOYSA-N 2 1 182.311 1.612 20 30 ADEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C 405340379 757200198 /nfs/dbraw/zinc/20/01/98/757200198.db2.gz CIDMBBUXQKDQTO-SFYZADRCSA-N 2 1 188.702 1.454 20 30 ADEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C 405340380 757201511 /nfs/dbraw/zinc/20/15/11/757201511.db2.gz CIDMBBUXQKDQTO-YUMQZZPRSA-N 2 1 188.702 1.454 20 30 ADEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C 405340377 757203096 /nfs/dbraw/zinc/20/30/96/757203096.db2.gz CIDMBBUXQKDQTO-HTQZYQBOSA-N 2 1 188.702 1.454 20 30 ADEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C 405340378 757207912 /nfs/dbraw/zinc/20/79/12/757207912.db2.gz CIDMBBUXQKDQTO-JGVFFNPUSA-N 2 1 188.702 1.454 20 30 ADEDMP C#CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 685971962 757295415 /nfs/dbraw/zinc/29/54/15/757295415.db2.gz DYWPMMVIWSMKGK-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 685971962 757295444 /nfs/dbraw/zinc/29/54/44/757295444.db2.gz DYWPMMVIWSMKGK-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 685971962 757295486 /nfs/dbraw/zinc/29/54/86/757295486.db2.gz DYWPMMVIWSMKGK-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 685971961 757297767 /nfs/dbraw/zinc/29/77/67/757297767.db2.gz DYWPMMVIWSMKGK-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 685971961 757297795 /nfs/dbraw/zinc/29/77/95/757297795.db2.gz DYWPMMVIWSMKGK-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 685971961 757297823 /nfs/dbraw/zinc/29/78/23/757297823.db2.gz DYWPMMVIWSMKGK-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]CC1(C)CC1 687304182 757314333 /nfs/dbraw/zinc/31/43/33/757314333.db2.gz VPIAFLMEWIHJCW-UHFFFAOYSA-N 2 1 194.322 1.331 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(C)CC1 687304182 757314349 /nfs/dbraw/zinc/31/43/49/757314349.db2.gz VPIAFLMEWIHJCW-UHFFFAOYSA-N 2 1 194.322 1.331 20 30 ADEDMP C#CCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 688553320 757335879 /nfs/dbraw/zinc/33/58/79/757335879.db2.gz YDHGGZVTLIVSQS-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 688553319 757339116 /nfs/dbraw/zinc/33/91/16/757339116.db2.gz YDHGGZVTLIVSQS-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H](CC[NH3+])C1 688964104 757341668 /nfs/dbraw/zinc/34/16/68/757341668.db2.gz KTZACVBKUZRZJV-LLVKDONJSA-N 2 1 182.311 1.623 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H](CC[NH3+])C1 688964105 757343757 /nfs/dbraw/zinc/34/37/57/757343757.db2.gz KTZACVBKUZRZJV-NSHDSACASA-N 2 1 182.311 1.623 20 30 ADEDMP C=CC[N@H+](CCC[NH3+])C(C)C 131633660 573900236 /nfs/dbraw/zinc/90/02/36/573900236.db2.gz QRJPXQCHEGPMNU-UHFFFAOYSA-N 2 1 156.273 1.232 20 30 ADEDMP C=CC[N@H+](CC(C)(C)[NH3+])C(C)C 131633034 573900496 /nfs/dbraw/zinc/90/04/96/573900496.db2.gz JZCLABJJYIXUSN-UHFFFAOYSA-N 2 1 170.300 1.620 20 30 ADEDMP C=CC[N@@H+](CC(C)(C)[NH3+])C(C)C 131633034 573900499 /nfs/dbraw/zinc/90/04/99/573900499.db2.gz JZCLABJJYIXUSN-UHFFFAOYSA-N 2 1 170.300 1.620 20 30 ADEDMP C=CC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 715054759 573904697 /nfs/dbraw/zinc/90/46/97/573904697.db2.gz RTJRCHKRHXIVBA-NSHDSACASA-N 2 1 196.338 1.882 20 30 ADEDMP C=CCCCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 1206053087 762049067 /nfs/dbraw/zinc/04/90/67/762049067.db2.gz JDNWRFMHAPCQIJ-GHMZBOCLSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 335011194 673948828 /nfs/dbraw/zinc/94/88/28/673948828.db2.gz URVRDTMICMCOKE-NSHDSACASA-N 2 1 180.295 1.390 20 30 ADEDMP C=CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 335011194 673948829 /nfs/dbraw/zinc/94/88/29/673948829.db2.gz URVRDTMICMCOKE-NSHDSACASA-N 2 1 180.295 1.390 20 30 ADEDMP C#CC[N@@H+](CC1CC1)CC(C)(C)C[NH3+] 130241963 1169182456 /nfs/dbraw/zinc/18/24/56/1169182456.db2.gz WRAGIQRCPZSJNP-UHFFFAOYSA-N 2 1 194.322 1.317 20 30 ADEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H]([NH3+])C1 167717837 673968204 /nfs/dbraw/zinc/96/82/04/673968204.db2.gz PSXXDMMDMKQQGM-IUCAKERBSA-N 2 1 188.702 1.598 20 30 ADEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 167717731 673968308 /nfs/dbraw/zinc/96/83/08/673968308.db2.gz PSXXDMMDMKQQGM-DTWKUNHWSA-N 2 1 188.702 1.598 20 30 ADEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 167717935 673968641 /nfs/dbraw/zinc/96/86/41/673968641.db2.gz PSXXDMMDMKQQGM-RKDXNWHRSA-N 2 1 188.702 1.598 20 30 ADEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 167718033 673968663 /nfs/dbraw/zinc/96/86/63/673968663.db2.gz PSXXDMMDMKQQGM-BDAKNGLRSA-N 2 1 188.702 1.598 20 30 ADEDMP C=C[C@@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 229319780 673971689 /nfs/dbraw/zinc/97/16/89/673971689.db2.gz NENCSTSJJSNVAT-WAAKLRNESA-N 2 1 194.322 1.776 20 30 ADEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CCC)CC1 229521412 673973698 /nfs/dbraw/zinc/97/36/98/673973698.db2.gz ROMMATWNXRDASF-NSHDSACASA-N 2 1 194.322 1.472 20 30 ADEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 708872493 673977166 /nfs/dbraw/zinc/97/71/66/673977166.db2.gz VJCUDGBFSUQIHC-VXNVDRBHSA-N 2 1 188.702 1.266 20 30 ADEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 708872493 673977167 /nfs/dbraw/zinc/97/71/67/673977167.db2.gz VJCUDGBFSUQIHC-VXNVDRBHSA-N 2 1 188.702 1.266 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C 705211197 673986016 /nfs/dbraw/zinc/98/60/16/673986016.db2.gz ILKBZAHDGAFKMQ-NEPJUHHUSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C 705211197 673986018 /nfs/dbraw/zinc/98/60/18/673986018.db2.gz ILKBZAHDGAFKMQ-NEPJUHHUSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C 705211200 673986115 /nfs/dbraw/zinc/98/61/15/673986115.db2.gz ILKBZAHDGAFKMQ-VXGBXAGGSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C 705211200 673986117 /nfs/dbraw/zinc/98/61/17/673986117.db2.gz ILKBZAHDGAFKMQ-VXGBXAGGSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C 705211199 673986351 /nfs/dbraw/zinc/98/63/51/673986351.db2.gz ILKBZAHDGAFKMQ-RYUDHWBXSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C 705211199 673986352 /nfs/dbraw/zinc/98/63/52/673986352.db2.gz ILKBZAHDGAFKMQ-RYUDHWBXSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C 705211198 673986403 /nfs/dbraw/zinc/98/64/03/673986403.db2.gz ILKBZAHDGAFKMQ-NWDGAFQWSA-N 2 1 194.322 1.187 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C 705211198 673986404 /nfs/dbraw/zinc/98/64/04/673986404.db2.gz ILKBZAHDGAFKMQ-NWDGAFQWSA-N 2 1 194.322 1.187 20 30 ADEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CC[NH3+])C1 710536923 673993906 /nfs/dbraw/zinc/99/39/06/673993906.db2.gz AZPKYXPCRJSGIE-SECBINFHSA-N 2 1 188.702 1.410 20 30 ADEDMP C=C(Cl)C[N@@H+]1CC[C@H](CC[NH3+])C1 710536927 673993992 /nfs/dbraw/zinc/99/39/92/673993992.db2.gz AZPKYXPCRJSGIE-VIFPVBQESA-N 2 1 188.702 1.410 20 30 ADEDMP C=CCC[N@H+]1CC[NH2+]CCC12CCC2 713147544 674013419 /nfs/dbraw/zinc/01/34/19/674013419.db2.gz FRTGUFIISXZPKM-UHFFFAOYSA-N 2 1 194.322 1.781 20 30 ADEDMP C=CC[C@H](C)[N@H+](C)CCC[NH2+]C 714995587 674018484 /nfs/dbraw/zinc/01/84/84/674018484.db2.gz ICDSPHQGLVYFFL-JTQLQIEISA-N 2 1 170.300 1.492 20 30 ADEDMP C=CC[C@@H](C)[N@H+](C)CCC[NH2+]C 714995588 674018814 /nfs/dbraw/zinc/01/88/14/674018814.db2.gz ICDSPHQGLVYFFL-SNVBAGLBSA-N 2 1 170.300 1.492 20 30 ADEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 160873158 1169262405 /nfs/dbraw/zinc/26/24/05/1169262405.db2.gz ZMXQOTADFHNGEC-VXGBXAGGSA-N 2 1 194.322 1.472 20 30 ADEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 160873512 1169262423 /nfs/dbraw/zinc/26/24/23/1169262423.db2.gz ZMXQOTADFHNGEC-RYUDHWBXSA-N 2 1 194.322 1.472 20 30 ADEDMP C#CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 160873276 1169262498 /nfs/dbraw/zinc/26/24/98/1169262498.db2.gz ZMXQOTADFHNGEC-NWDGAFQWSA-N 2 1 194.322 1.472 20 30 ADEDMP C#CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 160873355 1169262549 /nfs/dbraw/zinc/26/25/49/1169262549.db2.gz ZMXQOTADFHNGEC-NEPJUHHUSA-N 2 1 194.322 1.472 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723881588 674079245 /nfs/dbraw/zinc/07/92/45/674079245.db2.gz ATQZQVRJWKYQKQ-GHMZBOCLSA-N 2 1 182.311 1.479 20 30 ADEDMP C=CC(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 385021239 1169611966 /nfs/dbraw/zinc/61/19/66/1169611966.db2.gz ZWBIQWIKPIOGBA-SNVBAGLBSA-N 2 1 182.311 1.540 20 30 ADEDMP C=CC(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 385021237 1169612055 /nfs/dbraw/zinc/61/20/55/1169612055.db2.gz ZWBIQWIKPIOGBA-JTQLQIEISA-N 2 1 182.311 1.540 20 30 ADEDMP C=CCCCC[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 401643450 1169678199 /nfs/dbraw/zinc/67/81/99/1169678199.db2.gz JREHWTASJMJOTJ-RYUDHWBXSA-N 2 1 196.338 1.930 20 30 ADEDMP C=CCCCC[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 401643446 1169678384 /nfs/dbraw/zinc/67/83/84/1169678384.db2.gz JREHWTASJMJOTJ-NEPJUHHUSA-N 2 1 196.338 1.930 20 30 ADEDMP C=CCCCC[NH2+][C@H]1C[NH2+]C[C@H](C)C1 401643451 1169679039 /nfs/dbraw/zinc/67/90/39/1169679039.db2.gz JREHWTASJMJOTJ-VXGBXAGGSA-N 2 1 196.338 1.930 20 30 ADEDMP C=CCCCC[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 401643448 1169680535 /nfs/dbraw/zinc/68/05/35/1169680535.db2.gz JREHWTASJMJOTJ-NWDGAFQWSA-N 2 1 196.338 1.930 20 30 ADEDMP CC#CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404412498 1169682821 /nfs/dbraw/zinc/68/28/21/1169682821.db2.gz YWCKRJAIARFZIT-NWDGAFQWSA-N 2 1 194.322 1.459 20 30 ADEDMP CC#CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404412499 1169682954 /nfs/dbraw/zinc/68/29/54/1169682954.db2.gz YWCKRJAIARFZIT-RYUDHWBXSA-N 2 1 194.322 1.459 20 30 ADEDMP CC#CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404412500 1169683215 /nfs/dbraw/zinc/68/32/15/1169683215.db2.gz YWCKRJAIARFZIT-VXGBXAGGSA-N 2 1 194.322 1.459 20 30 ADEDMP CC#CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404412497 1169683820 /nfs/dbraw/zinc/68/38/20/1169683820.db2.gz YWCKRJAIARFZIT-NEPJUHHUSA-N 2 1 194.322 1.459 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@H]1CC[C@@H](C#N)C1 1254636591 1169883906 /nfs/dbraw/zinc/88/39/06/1169883906.db2.gz MBBRCUGGECWQHB-BDAKNGLRSA-N 2 1 181.283 1.006 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@@H]1CC[C@@H](C#N)C1 1254636595 1169884370 /nfs/dbraw/zinc/88/43/70/1169884370.db2.gz MBBRCUGGECWQHB-RKDXNWHRSA-N 2 1 181.283 1.006 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@@H]1CC[C@H](C#N)C1 1254636593 1169884446 /nfs/dbraw/zinc/88/44/46/1169884446.db2.gz MBBRCUGGECWQHB-DTWKUNHWSA-N 2 1 181.283 1.006 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@H]1CC[C@H](C#N)C1 1254636594 1169886826 /nfs/dbraw/zinc/88/68/26/1169886826.db2.gz MBBRCUGGECWQHB-IUCAKERBSA-N 2 1 181.283 1.006 20 30 ADEDMP C#C[C@@H](C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C 1574486870 1170682689 /nfs/dbraw/zinc/68/26/89/1170682689.db2.gz VIRVMYJYDJFOBI-MNOVXSKESA-N 2 1 196.338 1.751 20 30 ADEDMP C#C[C@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C 1574486872 1170682000 /nfs/dbraw/zinc/68/20/00/1170682000.db2.gz VIRVMYJYDJFOBI-WDEREUQCSA-N 2 1 196.338 1.751 20 30 ADEDMP C#C[C@H](C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1574456645 1170682568 /nfs/dbraw/zinc/68/25/68/1170682568.db2.gz BKHUKPTXMXAKKL-GARJFASQSA-N 2 1 180.295 1.067 20 30 ADEDMP C#C[C@@H](C)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1574456646 1170682594 /nfs/dbraw/zinc/68/25/94/1170682594.db2.gz BKHUKPTXMXAKKL-OUAUKWLOSA-N 2 1 180.295 1.067 20 30 ADEDMP C#C[C@H](C)[NH2+]C[C@@H]([NH3+])CCC(C)(C)C 1574486871 1170682659 /nfs/dbraw/zinc/68/26/59/1170682659.db2.gz VIRVMYJYDJFOBI-QWRGUYRKSA-N 2 1 196.338 1.751 20 30 ADEDMP C#C[C@@H](C)[NH2+]C[C@H]([NH3+])CCC(C)(C)C 1574486869 1170683279 /nfs/dbraw/zinc/68/32/79/1170683279.db2.gz VIRVMYJYDJFOBI-GHMZBOCLSA-N 2 1 196.338 1.751 20 30 ADEDMP C#CC[C@H]1CC[N@H+](CC(C)(C)C[NH3+])C1 1574545065 1170683499 /nfs/dbraw/zinc/68/34/99/1170683499.db2.gz MTIRBZRZAJLHTP-NSHDSACASA-N 2 1 194.322 1.317 20 30 ADEDMP C#CC[C@@H]1CC[N@H+](CC(C)(C)C[NH3+])C1 1574545064 1170683905 /nfs/dbraw/zinc/68/39/05/1170683905.db2.gz MTIRBZRZAJLHTP-LLVKDONJSA-N 2 1 194.322 1.317 20 30 ADEDMP C=CC[C@H](C)[N@H+]1C2CCC1(C[NH3+])CC2 1574887936 1170684567 /nfs/dbraw/zinc/68/45/67/1170684567.db2.gz DFYOTVWYXBJEEG-UNXYVOJBSA-N 2 1 194.322 1.907 20 30 ADEDMP C[C@@H](C#N)C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1575045876 1170684818 /nfs/dbraw/zinc/68/48/18/1170684818.db2.gz RPDQLOMUKVGPJT-GARJFASQSA-N 2 1 195.310 1.205 20 30 ADEDMP C=C(CC)C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 1574850204 1170685263 /nfs/dbraw/zinc/68/52/63/1170685263.db2.gz WASVQNBOJJQJTO-NEPJUHHUSA-N 2 1 194.322 1.827 20 30 ADEDMP C[C@H](C#N)C[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1575045877 1170685969 /nfs/dbraw/zinc/68/59/69/1170685969.db2.gz RPDQLOMUKVGPJT-OUAUKWLOSA-N 2 1 195.310 1.205 20 30 ADEDMP C=CC[C@@H](C)[N@H+]1C2CCC1(C[NH3+])CC2 1574887937 1170686105 /nfs/dbraw/zinc/68/61/05/1170686105.db2.gz DFYOTVWYXBJEEG-VOMCLLRMSA-N 2 1 194.322 1.907 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@@H]1CCC[C@H](C#N)C1 1575317427 1170686903 /nfs/dbraw/zinc/68/69/03/1170686903.db2.gz BFPCOZODGXDDMN-VHSXEESVSA-N 2 1 195.310 1.396 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@H]1CCC[C@H](C#N)C1 1575317426 1170687475 /nfs/dbraw/zinc/68/74/75/1170687475.db2.gz BFPCOZODGXDDMN-UWVGGRQHSA-N 2 1 195.310 1.396 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@@H]1CCC[C@@H](C#N)C1 1575317425 1170688236 /nfs/dbraw/zinc/68/82/36/1170688236.db2.gz BFPCOZODGXDDMN-NXEZZACHSA-N 2 1 195.310 1.396 20 30 ADEDMP CC(C)(C[NH3+])[NH2+][C@H]1CCC[C@@H](C#N)C1 1575317428 1170689588 /nfs/dbraw/zinc/68/95/88/1170689588.db2.gz BFPCOZODGXDDMN-ZJUUUORDSA-N 2 1 195.310 1.396 20 30 ADEDMP C[C@@H](CCC#N)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 1575941994 1170690215 /nfs/dbraw/zinc/69/02/15/1170690215.db2.gz ZKCXIEGARZQBEJ-HBNTYKKESA-N 2 1 195.310 1.205 20 30 ADEDMP C[C@H](CC#N)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1575912118 1170690828 /nfs/dbraw/zinc/69/08/28/1170690828.db2.gz MCVDLDBFWBGQQQ-OUAUKWLOSA-N 2 1 195.310 1.348 20 30 ADEDMP C[C@@H](CC#N)[N@@H+](C)C[C@H]1CC[C@@H]([NH3+])C1 1575912102 1170691057 /nfs/dbraw/zinc/69/10/57/1170691057.db2.gz MCVDLDBFWBGQQQ-GARJFASQSA-N 2 1 195.310 1.348 20 30 ADEDMP C[C@H](CCC#N)C[NH2+]C(C)(C)C[NH3+] 1575941024 1170691115 /nfs/dbraw/zinc/69/11/15/1170691115.db2.gz HHMZGQZIBDFEBC-SECBINFHSA-N 2 1 183.299 1.253 20 30 ADEDMP C[C@@H](CCC#N)C[NH2+]C(C)(C)C[NH3+] 1575941025 1170691188 /nfs/dbraw/zinc/69/11/88/1170691188.db2.gz HHMZGQZIBDFEBC-VIFPVBQESA-N 2 1 183.299 1.253 20 30 ADEDMP C[C@H](CCC#N)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 1575941993 1170692229 /nfs/dbraw/zinc/69/22/29/1170692229.db2.gz ZKCXIEGARZQBEJ-GMTAPVOTSA-N 2 1 195.310 1.205 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@@H](C[NH3+])C1 70593242 571673700 /nfs/dbraw/zinc/67/37/00/571673700.db2.gz SNQZVZJSOBRDHQ-NSHDSACASA-N 2 1 182.311 1.623 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@H](C[NH3+])C1 70593241 571674363 /nfs/dbraw/zinc/67/43/63/571674363.db2.gz SNQZVZJSOBRDHQ-LLVKDONJSA-N 2 1 182.311 1.623 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H](CC[NH3+])C1 711308635 571943652 /nfs/dbraw/zinc/94/36/52/571943652.db2.gz WKSHTIRLXSBFLU-JTQLQIEISA-N 2 1 168.284 1.233 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H](CC[NH3+])C1 711308638 571943793 /nfs/dbraw/zinc/94/37/93/571943793.db2.gz WKSHTIRLXSBFLU-SNVBAGLBSA-N 2 1 168.284 1.233 20 30 ADEDMP C#CCC[N@@H+](C)C1CC[NH+](CC)CC1 82493950 572028673 /nfs/dbraw/zinc/02/86/73/572028673.db2.gz JDSJXEQXVLNPOQ-UHFFFAOYSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CCC[N@H+](C)C1CC[NH+](CC)CC1 82493950 572028676 /nfs/dbraw/zinc/02/86/76/572028676.db2.gz JDSJXEQXVLNPOQ-UHFFFAOYSA-N 2 1 194.322 1.426 20 30 ADEDMP C=C(C)CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 168018334 572206948 /nfs/dbraw/zinc/20/69/48/572206948.db2.gz LDWLQXFMBMNCEY-PHIMTYICSA-N 2 1 180.295 1.104 20 30 ADEDMP C#C[C@@H](C)NC1CC[NH+](C2CC2)CC1 307522300 572551052 /nfs/dbraw/zinc/55/10/52/572551052.db2.gz XWHMDWYMATVRBH-SNVBAGLBSA-N 2 1 192.306 1.225 20 30 ADEDMP C=CC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 306973892 572829061 /nfs/dbraw/zinc/82/90/61/572829061.db2.gz XRLHSWPPNMACEE-MNOVXSKESA-N 2 1 180.295 1.056 20 30 ADEDMP C=CC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306973892 572829065 /nfs/dbraw/zinc/82/90/65/572829065.db2.gz XRLHSWPPNMACEE-MNOVXSKESA-N 2 1 180.295 1.056 20 30 ADEDMP C=CC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 306973892 572829066 /nfs/dbraw/zinc/82/90/66/572829066.db2.gz XRLHSWPPNMACEE-MNOVXSKESA-N 2 1 180.295 1.056 20 30 ADEDMP C=CCC[N@H+](C)C1CCC([NH3+])CC1 85869812 572829993 /nfs/dbraw/zinc/82/99/93/572829993.db2.gz MMHDQVUZSPBRIS-UHFFFAOYSA-N 2 1 182.311 1.764 20 30 ADEDMP C=CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C)C 128672433 573085119 /nfs/dbraw/zinc/08/51/19/573085119.db2.gz YVMYEXAOWXADLV-GFCCVEGCSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CC[N@@H+](C[C@H]1CCC[NH2+]C1)C(C)C 128672668 573088483 /nfs/dbraw/zinc/08/84/83/573088483.db2.gz YVMYEXAOWXADLV-LBPRGKRZSA-N 2 1 196.338 1.882 20 30 ADEDMP C#CCCCC[NH2+]C1CC[NH+](C)CC1 130741534 573695254 /nfs/dbraw/zinc/69/52/54/573695254.db2.gz MRGCPQVISIURKU-UHFFFAOYSA-N 2 1 194.322 1.474 20 30 ADEDMP C=C(C)COCC[NH2+]Cc1c[nH]cn1 131391787 573828906 /nfs/dbraw/zinc/82/89/06/573828906.db2.gz IPTFATAVSYITNY-UHFFFAOYSA-N 2 1 195.266 1.092 20 30 ADEDMP C=CC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 715054758 573905072 /nfs/dbraw/zinc/90/50/72/573905072.db2.gz RTJRCHKRHXIVBA-LLVKDONJSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CC[NH2+][C@H](C[NH3+])C1CCCCC1 83759260 486841005 /nfs/dbraw/zinc/84/10/05/486841005.db2.gz JOYVTOKKJFOKIO-LLVKDONJSA-N 2 1 182.311 1.670 20 30 ADEDMP C=CC[NH2+][C@H](C[NH3+])C(C)(C)C 83759176 486841218 /nfs/dbraw/zinc/84/12/18/486841218.db2.gz PNUHBCFQYCRTAG-MRVPVSSYSA-N 2 1 156.273 1.135 20 30 ADEDMP C=CC[NH2+][C@@H](C[NH3+])C1CCCCC1 83759258 486841327 /nfs/dbraw/zinc/84/13/27/486841327.db2.gz JOYVTOKKJFOKIO-NSHDSACASA-N 2 1 182.311 1.670 20 30 ADEDMP C=CC[NH2+][C@@H](C[NH3+])C(C)(C)C 83759177 486841575 /nfs/dbraw/zinc/84/15/75/486841575.db2.gz PNUHBCFQYCRTAG-QMMMGPOBSA-N 2 1 156.273 1.135 20 30 ADEDMP C=C(CC)C[NH2+]C1CC[NH+](C)CC1 85057382 486863443 /nfs/dbraw/zinc/86/34/43/486863443.db2.gz XQFBOOOKHPJXPP-UHFFFAOYSA-N 2 1 182.311 1.636 20 30 ADEDMP C=CC[N@H+](C)CCCn1cc[nH+]c1C 676721190 486868618 /nfs/dbraw/zinc/86/86/18/486868618.db2.gz NJJKVKRRMKGZRM-UHFFFAOYSA-N 2 1 193.294 1.699 20 30 ADEDMP C=CC[N@@H+](C)CCCn1cc[nH+]c1C 676721190 486868622 /nfs/dbraw/zinc/86/86/22/486868622.db2.gz NJJKVKRRMKGZRM-UHFFFAOYSA-N 2 1 193.294 1.699 20 30 ADEDMP C=CCCC[N@H+](C)CC1CC[NH2+]CC1 86702866 486883167 /nfs/dbraw/zinc/88/31/67/486883167.db2.gz SQJBVFBUAVWQPG-UHFFFAOYSA-N 2 1 196.338 1.884 20 30 ADEDMP C=CCCC[N@H+](C)CC(C)(C)C[NH3+] 86638312 486883173 /nfs/dbraw/zinc/88/31/73/486883173.db2.gz HNRKOXCMTKXGSR-UHFFFAOYSA-N 2 1 184.327 1.869 20 30 ADEDMP C=CCC[N@H+](C)CC(C)(C)C[NH3+] 86638271 486883344 /nfs/dbraw/zinc/88/33/44/486883344.db2.gz MQWGWIJGHCVFAF-UHFFFAOYSA-N 2 1 170.300 1.479 20 30 ADEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)C1CC1 86703723 486884435 /nfs/dbraw/zinc/88/44/35/486884435.db2.gz YERNIAMPUYWRJB-UHFFFAOYSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 86886933 486889407 /nfs/dbraw/zinc/88/94/07/486889407.db2.gz STJHUOXUMHOGLK-QWRGUYRKSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 86886929 486889380 /nfs/dbraw/zinc/88/93/80/486889380.db2.gz STJHUOXUMHOGLK-MNOVXSKESA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCC[N@H+](C)CCC[NH2+]C 87472576 486896073 /nfs/dbraw/zinc/89/60/73/486896073.db2.gz UJWJGUMWUVDSRZ-UHFFFAOYSA-N 2 1 156.273 1.104 20 30 ADEDMP C=CC[NH+]1CCC([NH2+]CC2CC2)CC1 113199599 486924276 /nfs/dbraw/zinc/92/42/76/486924276.db2.gz ZQMURFBYGJGWJT-UHFFFAOYSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122348008 486932123 /nfs/dbraw/zinc/93/21/23/486932123.db2.gz LFTMESYIBYGVFH-WDEREUQCSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 122348224 486932763 /nfs/dbraw/zinc/93/27/63/486932763.db2.gz LFTMESYIBYGVFH-MNOVXSKESA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 122347834 486932926 /nfs/dbraw/zinc/93/29/26/486932926.db2.gz LFTMESYIBYGVFH-GHMZBOCLSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 122348424 486932958 /nfs/dbraw/zinc/93/29/58/486932958.db2.gz LFTMESYIBYGVFH-QWRGUYRKSA-N 2 1 182.311 1.622 20 30 ADEDMP C=C(CC)C[N@H+]1CC[C@H](C[NH+](C)C)C1 678624700 486941945 /nfs/dbraw/zinc/94/19/45/486941945.db2.gz LREUXRPLEIJWNW-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(CC)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 678624701 486942122 /nfs/dbraw/zinc/94/21/22/486942122.db2.gz LREUXRPLEIJWNW-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[N@H+](C)CCn1cc[nH+]c1C 679220501 486954683 /nfs/dbraw/zinc/95/46/83/486954683.db2.gz YSWQRHHCQTUDFN-UHFFFAOYSA-N 2 1 193.294 1.699 20 30 ADEDMP C=C(C)C[N@@H+](C)CCn1cc[nH+]c1C 679220501 486954688 /nfs/dbraw/zinc/95/46/88/486954688.db2.gz YSWQRHHCQTUDFN-UHFFFAOYSA-N 2 1 193.294 1.699 20 30 ADEDMP C=C(C)C[N@@H+](C)CCC[NH+]1CCCC1 679217838 486954764 /nfs/dbraw/zinc/95/47/64/486954764.db2.gz IWUVIHJOOSPJIX-UHFFFAOYSA-N 2 1 196.338 1.980 20 30 ADEDMP C=CCC[NH2+][C@](C)(C[NH3+])C1CC1 158585971 486970399 /nfs/dbraw/zinc/97/03/99/486970399.db2.gz OJBCJECUESIOAU-SNVBAGLBSA-N 2 1 168.284 1.280 20 30 ADEDMP C=CCC[NH2+][C@@](C)(C[NH3+])C1CC1 158586085 486970477 /nfs/dbraw/zinc/97/04/77/486970477.db2.gz OJBCJECUESIOAU-JTQLQIEISA-N 2 1 168.284 1.280 20 30 ADEDMP C=CCC[NH2+][C@@](C)(C[NH3+])C(C)C 158586360 486970626 /nfs/dbraw/zinc/97/06/26/486970626.db2.gz CAPCWIHJNCLWBF-JTQLQIEISA-N 2 1 170.300 1.526 20 30 ADEDMP C=CCC[NH2+][C@](C)(C[NH3+])C(C)C 158586217 486970918 /nfs/dbraw/zinc/97/09/18/486970918.db2.gz CAPCWIHJNCLWBF-SNVBAGLBSA-N 2 1 170.300 1.526 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 159504408 486972954 /nfs/dbraw/zinc/97/29/54/486972954.db2.gz JYEPBZNKOOHTML-MNOVXSKESA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 159504132 486973437 /nfs/dbraw/zinc/97/34/37/486973437.db2.gz JYEPBZNKOOHTML-GHMZBOCLSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 159504277 486973488 /nfs/dbraw/zinc/97/34/88/486973488.db2.gz JYEPBZNKOOHTML-QWRGUYRKSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 159503988 486973761 /nfs/dbraw/zinc/97/37/61/486973761.db2.gz JYEPBZNKOOHTML-WDEREUQCSA-N 2 1 182.311 1.622 20 30 ADEDMP C=C(C)CC[NH2+]C1CC[NH+](C)CC1 168956886 487006421 /nfs/dbraw/zinc/00/64/21/487006421.db2.gz CGRVKEVWYZHTLB-UHFFFAOYSA-N 2 1 182.311 1.636 20 30 ADEDMP C=C(C)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 681404297 487022082 /nfs/dbraw/zinc/02/20/82/487022082.db2.gz SXRKGDVQNLPOHC-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 681404298 487022168 /nfs/dbraw/zinc/02/21/68/487022168.db2.gz SXRKGDVQNLPOHC-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[N@H+](C)CCC[NH+]1CCCC1 681696117 487032387 /nfs/dbraw/zinc/03/23/87/487032387.db2.gz QLSWTLINGDRMAA-UHFFFAOYSA-N 2 1 182.311 1.590 20 30 ADEDMP C=CC[N@@H+](C)CCC[NH+]1CCCC1 681696117 487032389 /nfs/dbraw/zinc/03/23/89/487032389.db2.gz QLSWTLINGDRMAA-UHFFFAOYSA-N 2 1 182.311 1.590 20 30 ADEDMP C=CC[NH+](C)CC(C)C[N@@H+](C)CC=C 681696607 487032585 /nfs/dbraw/zinc/03/25/85/487032585.db2.gz JEWUMVRELQMLAN-UHFFFAOYSA-N 2 1 196.338 1.858 20 30 ADEDMP C=CC[N@H+](C)CCC[NH+]1CCCCC1 682031645 487041559 /nfs/dbraw/zinc/04/15/59/487041559.db2.gz OQZDTJJZEIZCTF-UHFFFAOYSA-N 2 1 196.338 1.980 20 30 ADEDMP C=CC[N@@H+](C)CCC[NH+]1CCCCC1 682031645 487041565 /nfs/dbraw/zinc/04/15/65/487041565.db2.gz OQZDTJJZEIZCTF-UHFFFAOYSA-N 2 1 196.338 1.980 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226033590 487045674 /nfs/dbraw/zinc/04/56/74/487045674.db2.gz AFALQUFTWCNZFP-WDEREUQCSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CC[N@H+]1CCC[C@H](C)[C@@H]1CN 226344873 487048670 /nfs/dbraw/zinc/04/86/70/487048670.db2.gz RXQMKFFLTAOPFY-UWVGGRQHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H](C)[C@@H]1CN 226344873 487048675 /nfs/dbraw/zinc/04/86/75/487048675.db2.gz RXQMKFFLTAOPFY-UWVGGRQHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 226344873 487048682 /nfs/dbraw/zinc/04/86/82/487048682.db2.gz RXQMKFFLTAOPFY-UWVGGRQHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] 226344873 487048686 /nfs/dbraw/zinc/04/86/86/487048686.db2.gz RXQMKFFLTAOPFY-UWVGGRQHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H](C)[C@@H]1CN 226344868 487049297 /nfs/dbraw/zinc/04/92/97/487049297.db2.gz RXQMKFFLTAOPFY-ZJUUUORDSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H](C)[C@@H]1CN 226344868 487049302 /nfs/dbraw/zinc/04/93/02/487049302.db2.gz RXQMKFFLTAOPFY-ZJUUUORDSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 226344868 487049306 /nfs/dbraw/zinc/04/93/06/487049306.db2.gz RXQMKFFLTAOPFY-ZJUUUORDSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] 226344868 487049309 /nfs/dbraw/zinc/04/93/09/487049309.db2.gz RXQMKFFLTAOPFY-ZJUUUORDSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 227074627 487053553 /nfs/dbraw/zinc/05/35/53/487053553.db2.gz STJHUOXUMHOGLK-WDEREUQCSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCC[N@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228476795 487058214 /nfs/dbraw/zinc/05/82/14/487058214.db2.gz COADTQIYGGHVDJ-QJPTWQEYSA-N 2 1 194.322 1.622 20 30 ADEDMP C=CCC[N@@H+](C)CCC[NH+]1CCCC1 682435238 487058652 /nfs/dbraw/zinc/05/86/52/487058652.db2.gz OKVDHYNZXUBSND-UHFFFAOYSA-N 2 1 196.338 1.980 20 30 ADEDMP C=CCC[N@H+](C)CC[C@@H]1CCC[NH+]1C 682435551 487059347 /nfs/dbraw/zinc/05/93/47/487059347.db2.gz XVROVMYROJXVTF-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C 682435551 487059352 /nfs/dbraw/zinc/05/93/52/487059352.db2.gz XVROVMYROJXVTF-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[NH+](C)CC[C@@H]1CCC[N@H+]1C 682435551 487059353 /nfs/dbraw/zinc/05/93/53/487059353.db2.gz XVROVMYROJXVTF-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[N@H+](C)CC[C@H]1CCC[NH+]1C 682435550 487060063 /nfs/dbraw/zinc/06/00/63/487060063.db2.gz XVROVMYROJXVTF-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[NH+](C)CC[C@H]1CCC[N@@H+]1C 682435550 487060066 /nfs/dbraw/zinc/06/00/66/487060066.db2.gz XVROVMYROJXVTF-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[NH+](C)CC[C@H]1CCC[N@H+]1C 682435550 487060071 /nfs/dbraw/zinc/06/00/71/487060071.db2.gz XVROVMYROJXVTF-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 235657739 487106882 /nfs/dbraw/zinc/10/68/82/487106882.db2.gz JIPULKFOCAVHSJ-QWRGUYRKSA-N 2 1 182.311 1.492 20 30 ADEDMP C=CC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 235684722 487107545 /nfs/dbraw/zinc/10/75/45/487107545.db2.gz JIPULKFOCAVHSJ-WDEREUQCSA-N 2 1 182.311 1.492 20 30 ADEDMP C=CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250524019 487113492 /nfs/dbraw/zinc/11/34/92/487113492.db2.gz OACSMODWRHUQQI-RYUDHWBXSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250524017 487113612 /nfs/dbraw/zinc/11/36/12/487113612.db2.gz OACSMODWRHUQQI-NEPJUHHUSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 251527258 487118357 /nfs/dbraw/zinc/11/83/57/487118357.db2.gz AFALQUFTWCNZFP-GHMZBOCLSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252842398 487128395 /nfs/dbraw/zinc/12/83/95/487128395.db2.gz COADTQIYGGHVDJ-SRVKXCTJSA-N 2 1 194.322 1.622 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252842396 487128411 /nfs/dbraw/zinc/12/84/11/487128411.db2.gz COADTQIYGGHVDJ-SDDRHHMPSA-N 2 1 194.322 1.622 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253190628 487131348 /nfs/dbraw/zinc/13/13/48/487131348.db2.gz LIMKYQXPMPNPEQ-GHMZBOCLSA-N 2 1 182.311 1.479 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 253190629 487132079 /nfs/dbraw/zinc/13/20/79/487132079.db2.gz LIMKYQXPMPNPEQ-WDEREUQCSA-N 2 1 182.311 1.479 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253201561 487132320 /nfs/dbraw/zinc/13/23/20/487132320.db2.gz YBNMFSCNFFZREX-VXGBXAGGSA-N 2 1 196.338 1.869 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 253201558 487132468 /nfs/dbraw/zinc/13/24/68/487132468.db2.gz YBNMFSCNFFZREX-NWDGAFQWSA-N 2 1 196.338 1.869 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893787 487140612 /nfs/dbraw/zinc/14/06/12/487140612.db2.gz OWZXAJSPUIYAHH-NWDGAFQWSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893787 487140616 /nfs/dbraw/zinc/14/06/16/487140616.db2.gz OWZXAJSPUIYAHH-NWDGAFQWSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300055648 487141501 /nfs/dbraw/zinc/14/15/01/487141501.db2.gz JIPULKFOCAVHSJ-GHMZBOCLSA-N 2 1 182.311 1.492 20 30 ADEDMP C=CC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300055649 487142064 /nfs/dbraw/zinc/14/20/64/487142064.db2.gz JIPULKFOCAVHSJ-MNOVXSKESA-N 2 1 182.311 1.492 20 30 ADEDMP C=CCC[N@H+](C)CC(C)(C)[NH3+] 307880927 487191903 /nfs/dbraw/zinc/19/19/03/487191903.db2.gz RSOMZPKUKHKDJJ-UHFFFAOYSA-N 2 1 156.273 1.232 20 30 ADEDMP C=CCC[NH2+]C1CC[NH+](C2CC2)CC1 308546436 487203594 /nfs/dbraw/zinc/20/35/94/487203594.db2.gz VSVJFDRZETYWLY-UHFFFAOYSA-N 2 1 194.322 1.779 20 30 ADEDMP C=C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 393656817 487267391 /nfs/dbraw/zinc/26/73/91/487267391.db2.gz LCOFSQCIIMNHNR-JTQLQIEISA-N 2 1 194.322 1.777 20 30 ADEDMP C=C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 393656819 487267211 /nfs/dbraw/zinc/26/72/11/487267211.db2.gz LCOFSQCIIMNHNR-SNVBAGLBSA-N 2 1 194.322 1.777 20 30 ADEDMP C=CCC[C@H](C)[NH2+]CC[NH2+]CC 666782305 487337881 /nfs/dbraw/zinc/33/78/81/487337881.db2.gz IKYIRBWUSANGJL-JTQLQIEISA-N 2 1 170.300 1.540 20 30 ADEDMP C=C[C@@H]1CCCC[N@@H+]1CCC[NH3+] 666704806 487332489 /nfs/dbraw/zinc/33/24/89/487332489.db2.gz OPVCHJFIXTXBFE-SNVBAGLBSA-N 2 1 168.284 1.376 20 30 ADEDMP C=C[C@H]1CCCC[N@@H+]1CCC[NH3+] 666704804 487332563 /nfs/dbraw/zinc/33/25/63/487332563.db2.gz OPVCHJFIXTXBFE-JTQLQIEISA-N 2 1 168.284 1.376 20 30 ADEDMP C=CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 666746660 487333882 /nfs/dbraw/zinc/33/38/82/487333882.db2.gz UZPANPVGDYICLH-MWLCHTKSSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 666746659 487333981 /nfs/dbraw/zinc/33/39/81/487333981.db2.gz UZPANPVGDYICLH-KOLCDFICSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 666746661 487334332 /nfs/dbraw/zinc/33/43/32/487334332.db2.gz UZPANPVGDYICLH-ONGXEEELSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 666746658 487334521 /nfs/dbraw/zinc/33/45/21/487334521.db2.gz UZPANPVGDYICLH-GXSJLCMTSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CCC[C@H](C)[NH2+]CC[NH2+]C 666779023 487336919 /nfs/dbraw/zinc/33/69/19/487336919.db2.gz YIMKCIKWUIMPFL-VIFPVBQESA-N 2 1 156.273 1.150 20 30 ADEDMP C=CCC[C@@H](C)[NH2+]CC[NH2+]C 666779022 487337030 /nfs/dbraw/zinc/33/70/30/487337030.db2.gz YIMKCIKWUIMPFL-SECBINFHSA-N 2 1 156.273 1.150 20 30 ADEDMP C=CCC[C@@H](C)[NH2+]CC[NH2+]CC 666782306 487338093 /nfs/dbraw/zinc/33/80/93/487338093.db2.gz IKYIRBWUSANGJL-SNVBAGLBSA-N 2 1 170.300 1.540 20 30 ADEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 666814490 487339544 /nfs/dbraw/zinc/33/95/44/487339544.db2.gz AACXMGLSEWEGIU-MNOVXSKESA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 666814494 487339847 /nfs/dbraw/zinc/33/98/47/487339847.db2.gz AACXMGLSEWEGIU-WDEREUQCSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 666814486 487339922 /nfs/dbraw/zinc/33/99/22/487339922.db2.gz AACXMGLSEWEGIU-GHMZBOCLSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 666814493 487339946 /nfs/dbraw/zinc/33/99/46/487339946.db2.gz AACXMGLSEWEGIU-QWRGUYRKSA-N 2 1 182.311 1.683 20 30 ADEDMP C#CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 725799090 582483858 /nfs/dbraw/zinc/48/38/58/582483858.db2.gz QWTQGWPXOGTODU-UHFFFAOYSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[N@H+](C)C1CC[NH+](C(C)C)CC1 725799090 582483861 /nfs/dbraw/zinc/48/38/61/582483861.db2.gz QWTQGWPXOGTODU-UHFFFAOYSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 894060516 582509645 /nfs/dbraw/zinc/50/96/45/582509645.db2.gz UFLUQYURJHAARI-NSHDSACASA-N 2 1 194.322 1.282 20 30 ADEDMP C#C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 894060515 582509983 /nfs/dbraw/zinc/50/99/83/582509983.db2.gz UFLUQYURJHAARI-LLVKDONJSA-N 2 1 194.322 1.282 20 30 ADEDMP C=CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 157986732 582572451 /nfs/dbraw/zinc/57/24/51/582572451.db2.gz OACSMODWRHUQQI-NWDGAFQWSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCC[C@H](C)[NH2+]CC1([NH3+])CC1 902405983 582598898 /nfs/dbraw/zinc/59/88/98/582598898.db2.gz JUFVDFARWLNSDT-VIFPVBQESA-N 2 1 168.284 1.422 20 30 ADEDMP C=CCC[C@@H](C)[NH2+]CC1([NH3+])CC1 902405982 582599108 /nfs/dbraw/zinc/59/91/08/582599108.db2.gz JUFVDFARWLNSDT-SECBINFHSA-N 2 1 168.284 1.422 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+]CC1([NH3+])CC1 902416315 582603496 /nfs/dbraw/zinc/60/34/96/582603496.db2.gz MSMBIWQWLLCAEN-SNVBAGLBSA-N 2 1 182.311 1.812 20 30 ADEDMP C=CCC[C@H](CC)[NH2+]CC1([NH3+])CC1 902416313 582603895 /nfs/dbraw/zinc/60/38/95/582603895.db2.gz MSMBIWQWLLCAEN-JTQLQIEISA-N 2 1 182.311 1.812 20 30 ADEDMP C=CCC[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 902413582 582604902 /nfs/dbraw/zinc/60/49/02/582604902.db2.gz OBWADKZCJJTZOV-LLVKDONJSA-N 2 1 194.322 1.812 20 30 ADEDMP C=CCC[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 902413584 582605162 /nfs/dbraw/zinc/60/51/62/582605162.db2.gz OBWADKZCJJTZOV-NSHDSACASA-N 2 1 194.322 1.812 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CC1 902415132 582606384 /nfs/dbraw/zinc/60/63/84/582606384.db2.gz BNCOIDHEOMIIHH-ZJUUUORDSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902415129 582606775 /nfs/dbraw/zinc/60/67/75/582606775.db2.gz BNCOIDHEOMIIHH-NXEZZACHSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CC1 902415130 582606793 /nfs/dbraw/zinc/60/67/93/582606793.db2.gz BNCOIDHEOMIIHH-UWVGGRQHSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902415131 582606859 /nfs/dbraw/zinc/60/68/59/582606859.db2.gz BNCOIDHEOMIIHH-VHSXEESVSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] 903854934 582628077 /nfs/dbraw/zinc/62/80/77/582628077.db2.gz LVQMUJRXFDTLCJ-NWDGAFQWSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] 903854934 582628079 /nfs/dbraw/zinc/62/80/79/582628079.db2.gz LVQMUJRXFDTLCJ-NWDGAFQWSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] 903854935 582628561 /nfs/dbraw/zinc/62/85/61/582628561.db2.gz LVQMUJRXFDTLCJ-RYUDHWBXSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] 903854935 582628563 /nfs/dbraw/zinc/62/85/63/582628563.db2.gz LVQMUJRXFDTLCJ-RYUDHWBXSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] 903854936 582628580 /nfs/dbraw/zinc/62/85/80/582628580.db2.gz LVQMUJRXFDTLCJ-VXGBXAGGSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] 903854936 582628583 /nfs/dbraw/zinc/62/85/83/582628583.db2.gz LVQMUJRXFDTLCJ-VXGBXAGGSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] 903854933 582628807 /nfs/dbraw/zinc/62/88/07/582628807.db2.gz LVQMUJRXFDTLCJ-NEPJUHHUSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] 903854933 582628809 /nfs/dbraw/zinc/62/88/09/582628809.db2.gz LVQMUJRXFDTLCJ-NEPJUHHUSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@@H+](CC)CCC[NH3+] 903850303 582628968 /nfs/dbraw/zinc/62/89/68/582628968.db2.gz OENPWGLVELNSDH-UHFFFAOYSA-N 2 1 170.300 1.623 20 30 ADEDMP C=CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 157986564 582663357 /nfs/dbraw/zinc/66/33/57/582663357.db2.gz OACSMODWRHUQQI-VXGBXAGGSA-N 2 1 194.322 1.779 20 30 ADEDMP C#CC[N@@H+](C)C1CC[NH+](CCC)CC1 732203845 582675289 /nfs/dbraw/zinc/67/52/89/582675289.db2.gz JRHXETQNIFIDHW-UHFFFAOYSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[N@H+](C)C1CC[NH+](CCC)CC1 732203845 582675291 /nfs/dbraw/zinc/67/52/91/582675291.db2.gz JRHXETQNIFIDHW-UHFFFAOYSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CCN(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 740886220 582730259 /nfs/dbraw/zinc/73/02/59/582730259.db2.gz KDVXNMJMGLWJAA-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 740886220 582730261 /nfs/dbraw/zinc/73/02/61/582730261.db2.gz KDVXNMJMGLWJAA-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 740886220 582730263 /nfs/dbraw/zinc/73/02/63/582730263.db2.gz KDVXNMJMGLWJAA-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CCN(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 740886227 582730368 /nfs/dbraw/zinc/73/03/68/582730368.db2.gz KDVXNMJMGLWJAA-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 740886227 582730370 /nfs/dbraw/zinc/73/03/70/582730370.db2.gz KDVXNMJMGLWJAA-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 740886227 582730371 /nfs/dbraw/zinc/73/03/71/582730371.db2.gz KDVXNMJMGLWJAA-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CCN(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 740886225 582730392 /nfs/dbraw/zinc/73/03/92/582730392.db2.gz KDVXNMJMGLWJAA-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 740886225 582730394 /nfs/dbraw/zinc/73/03/94/582730394.db2.gz KDVXNMJMGLWJAA-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 740886225 582730395 /nfs/dbraw/zinc/73/03/95/582730395.db2.gz KDVXNMJMGLWJAA-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CCN(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 740886226 582730950 /nfs/dbraw/zinc/73/09/50/582730950.db2.gz KDVXNMJMGLWJAA-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 740886226 582730953 /nfs/dbraw/zinc/73/09/53/582730953.db2.gz KDVXNMJMGLWJAA-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP C#CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 740886226 582730955 /nfs/dbraw/zinc/73/09/55/582730955.db2.gz KDVXNMJMGLWJAA-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP CC#CC[N@@H+](C)CC1CC[NH+](C)CC1 741785760 582733519 /nfs/dbraw/zinc/73/35/19/582733519.db2.gz ZUAWVJJXZAYMQC-UHFFFAOYSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 759977340 582805994 /nfs/dbraw/zinc/80/59/94/582805994.db2.gz PBFZZTVTBZYUFR-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 759977342 582806199 /nfs/dbraw/zinc/80/61/99/582806199.db2.gz PBFZZTVTBZYUFR-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CCC[NH+]1CCC([NH2+]C(C)C)CC1 760855622 582808520 /nfs/dbraw/zinc/80/85/20/582808520.db2.gz FBFGPSFIOKYDCQ-UHFFFAOYSA-N 2 1 194.322 1.472 20 30 ADEDMP C#CC[N@H+](CC)CC[C@@H]1CCC[NH+]1C 767414495 582831759 /nfs/dbraw/zinc/83/17/59/582831759.db2.gz KGMJMHXMIYBGLF-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[N@@H+](CC)CC[C@@H]1CCC[NH+]1C 767414495 582831761 /nfs/dbraw/zinc/83/17/61/582831761.db2.gz KGMJMHXMIYBGLF-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[NH+](CC)CC[C@@H]1CCC[N@@H+]1C 767414495 582831762 /nfs/dbraw/zinc/83/17/62/582831762.db2.gz KGMJMHXMIYBGLF-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[NH+](CC)CC[C@@H]1CCC[N@H+]1C 767414495 582831764 /nfs/dbraw/zinc/83/17/64/582831764.db2.gz KGMJMHXMIYBGLF-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[N@H+](CC)CC[C@H]1CCC[NH+]1C 767414470 582831797 /nfs/dbraw/zinc/83/17/97/582831797.db2.gz KGMJMHXMIYBGLF-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[N@@H+](CC)CC[C@H]1CCC[NH+]1C 767414470 582831799 /nfs/dbraw/zinc/83/17/99/582831799.db2.gz KGMJMHXMIYBGLF-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[NH+](CC)CC[C@H]1CCC[N@@H+]1C 767414470 582831800 /nfs/dbraw/zinc/83/18/00/582831800.db2.gz KGMJMHXMIYBGLF-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP C#CC[NH+](CC)CC[C@H]1CCC[N@H+]1C 767414470 582831802 /nfs/dbraw/zinc/83/18/02/582831802.db2.gz KGMJMHXMIYBGLF-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP C#C[C@@H](C)[N@@H+](C)CCC[NH+](CC)CC 769963638 582841237 /nfs/dbraw/zinc/84/12/37/582841237.db2.gz ZFYSIHNNKROJLS-GFCCVEGCSA-N 2 1 196.338 1.672 20 30 ADEDMP C#C[C@@H](C)[N@H+](C)CCC[NH+](CC)CC 769963638 582841240 /nfs/dbraw/zinc/84/12/40/582841240.db2.gz ZFYSIHNNKROJLS-GFCCVEGCSA-N 2 1 196.338 1.672 20 30 ADEDMP C#C[C@H](C)[N@@H+](C)CCC[NH+](CC)CC 769963639 582841546 /nfs/dbraw/zinc/84/15/46/582841546.db2.gz ZFYSIHNNKROJLS-LBPRGKRZSA-N 2 1 196.338 1.672 20 30 ADEDMP C#C[C@H](C)[N@H+](C)CCC[NH+](CC)CC 769963639 582841548 /nfs/dbraw/zinc/84/15/48/582841548.db2.gz ZFYSIHNNKROJLS-LBPRGKRZSA-N 2 1 196.338 1.672 20 30 ADEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)[NH3+] 817903627 582998635 /nfs/dbraw/zinc/99/86/35/582998635.db2.gz GVWRNFQSZNZONH-YUMQZZPRSA-N 2 1 176.691 1.454 20 30 ADEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)[NH3+] 817903624 582998722 /nfs/dbraw/zinc/99/87/22/582998722.db2.gz GVWRNFQSZNZONH-JGVFFNPUSA-N 2 1 176.691 1.454 20 30 ADEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)[NH3+] 817903622 582998951 /nfs/dbraw/zinc/99/89/51/582998951.db2.gz GVWRNFQSZNZONH-HTQZYQBOSA-N 2 1 176.691 1.454 20 30 ADEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)[NH3+] 817903626 582998981 /nfs/dbraw/zinc/99/89/81/582998981.db2.gz GVWRNFQSZNZONH-SFYZADRCSA-N 2 1 176.691 1.454 20 30 ADEDMP C=CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1CC1 817969902 583000905 /nfs/dbraw/zinc/00/09/05/583000905.db2.gz HWVLKEAEDPHBSL-GXSJLCMTSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+] 817970462 583000994 /nfs/dbraw/zinc/00/09/94/583000994.db2.gz WDQGUPXAUVADOC-UTLUCORTSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CCC[C@H](CC)[NH2+][C@@H](C)C[NH3+] 817970521 583001264 /nfs/dbraw/zinc/00/12/64/583001264.db2.gz YQWSIIYFPSLCPV-UWVGGRQHSA-N 2 1 170.300 1.668 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+] 817970461 583001401 /nfs/dbraw/zinc/00/14/01/583001401.db2.gz WDQGUPXAUVADOC-LPEHRKFASA-N 2 1 170.300 1.524 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+][C@@H](C)C[NH3+] 817970522 583001547 /nfs/dbraw/zinc/00/15/47/583001547.db2.gz YQWSIIYFPSLCPV-VHSXEESVSA-N 2 1 170.300 1.668 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+] 817970459 583001693 /nfs/dbraw/zinc/00/16/93/583001693.db2.gz WDQGUPXAUVADOC-GUBZILKMSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1CC1 817969903 583001753 /nfs/dbraw/zinc/00/17/53/583001753.db2.gz HWVLKEAEDPHBSL-ONGXEEELSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+] 817970460 583001759 /nfs/dbraw/zinc/00/17/59/583001759.db2.gz WDQGUPXAUVADOC-KXUCPTDWSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 842477691 583123526 /nfs/dbraw/zinc/12/35/26/583123526.db2.gz BTYHTDZQBUDWPM-GFCCVEGCSA-N 2 1 194.322 1.781 20 30 ADEDMP C=CCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 842477691 583123527 /nfs/dbraw/zinc/12/35/27/583123527.db2.gz BTYHTDZQBUDWPM-GFCCVEGCSA-N 2 1 194.322 1.781 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 842477692 583123546 /nfs/dbraw/zinc/12/35/46/583123546.db2.gz BTYHTDZQBUDWPM-LBPRGKRZSA-N 2 1 194.322 1.781 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 842477692 583123547 /nfs/dbraw/zinc/12/35/47/583123547.db2.gz BTYHTDZQBUDWPM-LBPRGKRZSA-N 2 1 194.322 1.781 20 30 ADEDMP C#CCN1CCC[C@]2(CC[N@H+](C)C2)C1 852108817 583204634 /nfs/dbraw/zinc/20/46/34/583204634.db2.gz NLQAOGAWNAODHA-GFCCVEGCSA-N 2 1 192.306 1.037 20 30 ADEDMP C#CCN1CCC[C@@]2(CC[N@H+](C)C2)C1 852108818 583205371 /nfs/dbraw/zinc/20/53/71/583205371.db2.gz NLQAOGAWNAODHA-LBPRGKRZSA-N 2 1 192.306 1.037 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]CC(C)C 122524619 583342326 /nfs/dbraw/zinc/34/23/26/583342326.db2.gz JIMVPVHWCDASCU-UHFFFAOYSA-N 2 1 182.311 1.187 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]CC(C)C 122524619 583342328 /nfs/dbraw/zinc/34/23/28/583342328.db2.gz JIMVPVHWCDASCU-UHFFFAOYSA-N 2 1 182.311 1.187 20 30 ADEDMP C=CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 122320810 490027943 /nfs/dbraw/zinc/02/79/43/490027943.db2.gz NOSJUIOOIUBSTF-UWVGGRQHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 122320580 490028012 /nfs/dbraw/zinc/02/80/12/490028012.db2.gz NOSJUIOOIUBSTF-ZJUUUORDSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122320364 490028027 /nfs/dbraw/zinc/02/80/27/490028027.db2.gz NOSJUIOOIUBSTF-VHSXEESVSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 122320111 490028062 /nfs/dbraw/zinc/02/80/62/490028062.db2.gz NOSJUIOOIUBSTF-NXEZZACHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 129418324 490051347 /nfs/dbraw/zinc/05/13/47/490051347.db2.gz YHCDHKPMWWCMIF-SNVBAGLBSA-N 2 1 182.311 1.635 20 30 ADEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](C)CC1 129418113 490051415 /nfs/dbraw/zinc/05/14/15/490051415.db2.gz YHCDHKPMWWCMIF-JTQLQIEISA-N 2 1 182.311 1.635 20 30 ADEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 158203085 490057817 /nfs/dbraw/zinc/05/78/17/490057817.db2.gz NSPFGBQASYOLPX-WDEREUQCSA-N 2 1 182.311 1.635 20 30 ADEDMP C=CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 158202940 490057830 /nfs/dbraw/zinc/05/78/30/490057830.db2.gz NSPFGBQASYOLPX-GHMZBOCLSA-N 2 1 182.311 1.635 20 30 ADEDMP C=CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 158203358 490057904 /nfs/dbraw/zinc/05/79/04/490057904.db2.gz NSPFGBQASYOLPX-QWRGUYRKSA-N 2 1 182.311 1.635 20 30 ADEDMP C=CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 158203217 490057960 /nfs/dbraw/zinc/05/79/60/490057960.db2.gz NSPFGBQASYOLPX-MNOVXSKESA-N 2 1 182.311 1.635 20 30 ADEDMP C=CCC[N@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 163667596 490058978 /nfs/dbraw/zinc/05/89/78/490058978.db2.gz COADTQIYGGHVDJ-TUAOUCFPSA-N 2 1 194.322 1.622 20 30 ADEDMP C=C(CC)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85283496 491027621 /nfs/dbraw/zinc/02/76/21/491027621.db2.gz JTTLPBNOSHWDKC-PHIMTYICSA-N 2 1 180.295 1.104 20 30 ADEDMP C=CCCC[N@H+](C)C[C@H](C)[NH3+] 220278576 491040492 /nfs/dbraw/zinc/04/04/92/491040492.db2.gz DKGMSCAJPXHNCX-VIFPVBQESA-N 2 1 156.273 1.232 20 30 ADEDMP C=CCCC[N@H+](C)C[C@@H](C)[NH3+] 220278518 491040615 /nfs/dbraw/zinc/04/06/15/491040615.db2.gz DKGMSCAJPXHNCX-SECBINFHSA-N 2 1 156.273 1.232 20 30 ADEDMP C=CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 307688676 1188809263 /nfs/dbraw/zinc/80/92/63/1188809263.db2.gz FRFOTJWJFFUMKS-UHFFFAOYSA-N 2 1 194.322 1.638 20 30 ADEDMP C#C[C@H](C)[N@H+](C)CC[C@H]1CCC[NH+]1C 769962934 1188825443 /nfs/dbraw/zinc/82/54/43/1188825443.db2.gz LOVGTEDQJDBVLE-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C 769962934 1188825448 /nfs/dbraw/zinc/82/54/48/1188825448.db2.gz LOVGTEDQJDBVLE-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C 769962934 1188825453 /nfs/dbraw/zinc/82/54/53/1188825453.db2.gz LOVGTEDQJDBVLE-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C 769962934 1188825458 /nfs/dbraw/zinc/82/54/58/1188825458.db2.gz LOVGTEDQJDBVLE-NWDGAFQWSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[N@H+](C)CC[C@@H]1CCC[NH+]1C 769962933 1188825524 /nfs/dbraw/zinc/82/55/24/1188825524.db2.gz LOVGTEDQJDBVLE-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C 769962933 1188825529 /nfs/dbraw/zinc/82/55/29/1188825529.db2.gz LOVGTEDQJDBVLE-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C 769962933 1188825533 /nfs/dbraw/zinc/82/55/33/1188825533.db2.gz LOVGTEDQJDBVLE-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C 769962933 1188825539 /nfs/dbraw/zinc/82/55/39/1188825539.db2.gz LOVGTEDQJDBVLE-NEPJUHHUSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[N@H+](C)CC[C@H]1CCC[NH+]1C 769962936 1188825760 /nfs/dbraw/zinc/82/57/60/1188825760.db2.gz LOVGTEDQJDBVLE-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[N@@H+](C)CC[C@H]1CCC[NH+]1C 769962936 1188825763 /nfs/dbraw/zinc/82/57/63/1188825763.db2.gz LOVGTEDQJDBVLE-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[NH+](C)CC[C@H]1CCC[N@@H+]1C 769962936 1188825767 /nfs/dbraw/zinc/82/57/67/1188825767.db2.gz LOVGTEDQJDBVLE-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@@H](C)[NH+](C)CC[C@H]1CCC[N@H+]1C 769962936 1188825769 /nfs/dbraw/zinc/82/57/69/1188825769.db2.gz LOVGTEDQJDBVLE-VXGBXAGGSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[N@H+](C)CC[C@@H]1CCC[NH+]1C 769962935 1188825783 /nfs/dbraw/zinc/82/57/83/1188825783.db2.gz LOVGTEDQJDBVLE-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[N@@H+](C)CC[C@@H]1CCC[NH+]1C 769962935 1188825786 /nfs/dbraw/zinc/82/57/86/1188825786.db2.gz LOVGTEDQJDBVLE-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[NH+](C)CC[C@@H]1CCC[N@@H+]1C 769962935 1188825790 /nfs/dbraw/zinc/82/57/90/1188825790.db2.gz LOVGTEDQJDBVLE-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP C#C[C@H](C)[NH+](C)CC[C@@H]1CCC[N@H+]1C 769962935 1188825794 /nfs/dbraw/zinc/82/57/94/1188825794.db2.gz LOVGTEDQJDBVLE-RYUDHWBXSA-N 2 1 194.322 1.424 20 30 ADEDMP CCCCCCC[N@H+](C)CC[NH3+] 59226911 697623208 /nfs/dbraw/zinc/62/32/08/697623208.db2.gz ZBNCBKBVLADOIZ-UHFFFAOYSA-N 2 1 172.316 1.847 20 30 ADEDMP CCCCCCC[N@@H+](C)CC[NH3+] 59226911 697623210 /nfs/dbraw/zinc/62/32/10/697623210.db2.gz ZBNCBKBVLADOIZ-UHFFFAOYSA-N 2 1 172.316 1.847 20 30 ADEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 166352064 697672145 /nfs/dbraw/zinc/67/21/45/697672145.db2.gz UYHWCMHAURIVBY-SNVBAGLBSA-N 2 1 180.295 1.082 20 30 ADEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 166367634 697672430 /nfs/dbraw/zinc/67/24/30/697672430.db2.gz PBNVBHYIUCHWSM-LLVKDONJSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CC)CC1 166351944 697672456 /nfs/dbraw/zinc/67/24/56/697672456.db2.gz UYHWCMHAURIVBY-JTQLQIEISA-N 2 1 180.295 1.082 20 30 ADEDMP C#C[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 166367518 697672485 /nfs/dbraw/zinc/67/24/85/697672485.db2.gz PBNVBHYIUCHWSM-NSHDSACASA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 166516283 697673092 /nfs/dbraw/zinc/67/30/92/697673092.db2.gz MHWIODQVZXACBC-WAAKLRNESA-N 2 1 192.306 1.223 20 30 ADEDMP C#C[C@@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 166516283 697673095 /nfs/dbraw/zinc/67/30/95/697673095.db2.gz MHWIODQVZXACBC-WAAKLRNESA-N 2 1 192.306 1.223 20 30 ADEDMP C=C[C@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 229319788 697700419 /nfs/dbraw/zinc/70/04/19/697700419.db2.gz NENCSTSJJSNVAT-YEJSDXFRSA-N 2 1 194.322 1.776 20 30 ADEDMP C#C[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 229893040 697702335 /nfs/dbraw/zinc/70/23/35/697702335.db2.gz IEVZKYAKRJAJKO-LLVKDONJSA-N 2 1 194.322 1.472 20 30 ADEDMP C#C[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 229893036 697702410 /nfs/dbraw/zinc/70/24/10/697702410.db2.gz IEVZKYAKRJAJKO-NSHDSACASA-N 2 1 194.322 1.472 20 30 ADEDMP C#CC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH+]2C 307251373 697739329 /nfs/dbraw/zinc/73/93/29/697739329.db2.gz NRXJWULRBMFDCF-FOSCPWQOSA-N 2 1 192.306 1.177 20 30 ADEDMP C#CC[N@H+](C)C1C[C@@H]2CC[C@H](C1)[NH+]2C 307251373 697739333 /nfs/dbraw/zinc/73/93/33/697739333.db2.gz NRXJWULRBMFDCF-FOSCPWQOSA-N 2 1 192.306 1.177 20 30 ADEDMP C#CC[NH+](C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 307251373 697739339 /nfs/dbraw/zinc/73/93/39/697739339.db2.gz NRXJWULRBMFDCF-FOSCPWQOSA-N 2 1 192.306 1.177 20 30 ADEDMP C#CC[NH+](C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 307251373 697739340 /nfs/dbraw/zinc/73/93/40/697739340.db2.gz NRXJWULRBMFDCF-FOSCPWQOSA-N 2 1 192.306 1.177 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CC1 328107061 697778822 /nfs/dbraw/zinc/77/88/22/697778822.db2.gz MXZJBDCXVSCCLH-NSHDSACASA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CC1 328107061 697778827 /nfs/dbraw/zinc/77/88/27/697778827.db2.gz MXZJBDCXVSCCLH-NSHDSACASA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CC1 328107060 697778899 /nfs/dbraw/zinc/77/88/99/697778899.db2.gz MXZJBDCXVSCCLH-LLVKDONJSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CC1 328107060 697778902 /nfs/dbraw/zinc/77/89/02/697778902.db2.gz MXZJBDCXVSCCLH-LLVKDONJSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C 382269963 697922045 /nfs/dbraw/zinc/92/20/45/697922045.db2.gz YXFFKLBQJMFZPS-NWDGAFQWSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C 382269980 697921766 /nfs/dbraw/zinc/92/17/66/697921766.db2.gz YXFFKLBQJMFZPS-VXGBXAGGSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C 382269980 697921768 /nfs/dbraw/zinc/92/17/68/697921768.db2.gz YXFFKLBQJMFZPS-VXGBXAGGSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C 382269968 697921806 /nfs/dbraw/zinc/92/18/06/697921806.db2.gz YXFFKLBQJMFZPS-RYUDHWBXSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C 382269968 697921809 /nfs/dbraw/zinc/92/18/09/697921809.db2.gz YXFFKLBQJMFZPS-RYUDHWBXSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C 382269944 697921936 /nfs/dbraw/zinc/92/19/36/697921936.db2.gz YXFFKLBQJMFZPS-NEPJUHHUSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C 382269944 697921938 /nfs/dbraw/zinc/92/19/38/697921938.db2.gz YXFFKLBQJMFZPS-NEPJUHHUSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C 382269963 697922042 /nfs/dbraw/zinc/92/20/42/697922042.db2.gz YXFFKLBQJMFZPS-NWDGAFQWSA-N 2 1 194.322 1.330 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385243024 697933983 /nfs/dbraw/zinc/93/39/83/697933983.db2.gz QJPGESNZFOLAFP-MNOVXSKESA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385243024 697933987 /nfs/dbraw/zinc/93/39/87/697933987.db2.gz QJPGESNZFOLAFP-MNOVXSKESA-N 2 1 180.295 1.246 20 30 ADEDMP C=CC[N@H+](C)CC1CC[NH+](C)CC1 388888289 698001963 /nfs/dbraw/zinc/00/19/63/698001963.db2.gz KTELVUQXBNBKQJ-UHFFFAOYSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396708567 698037226 /nfs/dbraw/zinc/03/72/26/698037226.db2.gz KWIOHGDEXDWGTC-WDEREUQCSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(C)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396690401 698037244 /nfs/dbraw/zinc/03/72/44/698037244.db2.gz BXUDVMZKHMPAHN-MNOVXSKESA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396734168 698037342 /nfs/dbraw/zinc/03/73/42/698037342.db2.gz ZKTYRBRLXZAVEP-ZJUUUORDSA-N 2 1 168.284 1.293 20 30 ADEDMP C=C(C)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396690404 698037398 /nfs/dbraw/zinc/03/73/98/698037398.db2.gz BXUDVMZKHMPAHN-WDEREUQCSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396734167 698037458 /nfs/dbraw/zinc/03/74/58/698037458.db2.gz ZKTYRBRLXZAVEP-VHSXEESVSA-N 2 1 168.284 1.293 20 30 ADEDMP C=C(C)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396690400 698037621 /nfs/dbraw/zinc/03/76/21/698037621.db2.gz BXUDVMZKHMPAHN-GHMZBOCLSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396734165 698037635 /nfs/dbraw/zinc/03/76/35/698037635.db2.gz ZKTYRBRLXZAVEP-NXEZZACHSA-N 2 1 168.284 1.293 20 30 ADEDMP C=CCCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396708566 698037665 /nfs/dbraw/zinc/03/76/65/698037665.db2.gz KWIOHGDEXDWGTC-QWRGUYRKSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396708564 698037728 /nfs/dbraw/zinc/03/77/28/698037728.db2.gz KWIOHGDEXDWGTC-GHMZBOCLSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396708565 698037823 /nfs/dbraw/zinc/03/78/23/698037823.db2.gz KWIOHGDEXDWGTC-MNOVXSKESA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396734166 698037934 /nfs/dbraw/zinc/03/79/34/698037934.db2.gz ZKTYRBRLXZAVEP-UWVGGRQHSA-N 2 1 168.284 1.293 20 30 ADEDMP C=C(C)CC[NH2+][C@H]1CCC[NH2+][C@H]1C 396690402 698037961 /nfs/dbraw/zinc/03/79/61/698037961.db2.gz BXUDVMZKHMPAHN-QWRGUYRKSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396734481 698038169 /nfs/dbraw/zinc/03/81/69/698038169.db2.gz ZRLLCPAGAFOUCJ-GHMZBOCLSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@H]1CCC[NH2+][C@H]1C 396734483 698038344 /nfs/dbraw/zinc/03/83/44/698038344.db2.gz ZRLLCPAGAFOUCJ-QWRGUYRKSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 396734482 698038504 /nfs/dbraw/zinc/03/85/04/698038504.db2.gz ZRLLCPAGAFOUCJ-MNOVXSKESA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396734484 698038629 /nfs/dbraw/zinc/03/86/29/698038629.db2.gz ZRLLCPAGAFOUCJ-WDEREUQCSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[N@H+](C)CC1CC[NH+](C)CC1 739915511 698083346 /nfs/dbraw/zinc/08/33/46/698083346.db2.gz PXRVMUHYUSBKPT-UHFFFAOYSA-N 2 1 196.338 1.836 20 30 ADEDMP C#CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 760844670 698088072 /nfs/dbraw/zinc/08/80/72/698088072.db2.gz VNLPTDDRQDTYIP-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 760844670 698088077 /nfs/dbraw/zinc/08/80/77/698088077.db2.gz VNLPTDDRQDTYIP-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 760844670 698088082 /nfs/dbraw/zinc/08/80/82/698088082.db2.gz VNLPTDDRQDTYIP-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 760844674 698088578 /nfs/dbraw/zinc/08/85/78/698088578.db2.gz VNLPTDDRQDTYIP-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 760844674 698088583 /nfs/dbraw/zinc/08/85/83/698088583.db2.gz VNLPTDDRQDTYIP-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#CCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 760844674 698088587 /nfs/dbraw/zinc/08/85/87/698088587.db2.gz VNLPTDDRQDTYIP-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C#C[C@@H](C)[N@H+](C)CCn1cc[nH+]c1C 769978040 698092564 /nfs/dbraw/zinc/09/25/64/698092564.db2.gz NZSHVSPTFVPFKP-SNVBAGLBSA-N 2 1 191.278 1.145 20 30 ADEDMP C#C[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1C 769978040 698092570 /nfs/dbraw/zinc/09/25/70/698092570.db2.gz NZSHVSPTFVPFKP-SNVBAGLBSA-N 2 1 191.278 1.145 20 30 ADEDMP C#C[C@H](C)[N@H+](C)CCn1cc[nH+]c1C 769978039 698092585 /nfs/dbraw/zinc/09/25/85/698092585.db2.gz NZSHVSPTFVPFKP-JTQLQIEISA-N 2 1 191.278 1.145 20 30 ADEDMP C#C[C@H](C)[N@@H+](C)CCn1cc[nH+]c1C 769978039 698092590 /nfs/dbraw/zinc/09/25/90/698092590.db2.gz NZSHVSPTFVPFKP-JTQLQIEISA-N 2 1 191.278 1.145 20 30 ADEDMP C#CCC[N@@H+](C)CCC[NH+]1CCCC1 799174960 698099559 /nfs/dbraw/zinc/09/95/59/698099559.db2.gz PKPKYOYVUNWZCM-UHFFFAOYSA-N 2 1 194.322 1.427 20 30 ADEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCC#N 925607892 698174234 /nfs/dbraw/zinc/17/42/34/698174234.db2.gz DTZXSZYIAHGLID-QWRGUYRKSA-N 2 1 195.310 1.410 20 30 ADEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCC#N 925607889 698174350 /nfs/dbraw/zinc/17/43/50/698174350.db2.gz DTZXSZYIAHGLID-MNOVXSKESA-N 2 1 195.310 1.410 20 30 ADEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCC#N 925607888 698174481 /nfs/dbraw/zinc/17/44/81/698174481.db2.gz DTZXSZYIAHGLID-GHMZBOCLSA-N 2 1 195.310 1.410 20 30 ADEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCC#N 925607898 698174485 /nfs/dbraw/zinc/17/44/85/698174485.db2.gz DTZXSZYIAHGLID-WDEREUQCSA-N 2 1 195.310 1.410 20 30 ADEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C 126909699 343799861 /nfs/dbraw/zinc/79/98/61/343799861.db2.gz HAFGVHOPIHZEQW-BDAKNGLRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C 126909699 343799862 /nfs/dbraw/zinc/79/98/62/343799862.db2.gz HAFGVHOPIHZEQW-BDAKNGLRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CN 44557461 166121540 /nfs/dbraw/zinc/12/15/40/166121540.db2.gz SHRISWGRPZHUFS-JTQLQIEISA-N 2 1 168.284 1.376 20 30 ADEDMP C=C(C)C[N@H+]1CCCC[C@H]1CN 44557461 166121542 /nfs/dbraw/zinc/12/15/42/166121542.db2.gz SHRISWGRPZHUFS-JTQLQIEISA-N 2 1 168.284 1.376 20 30 ADEDMP C=C(C)C[N@@H+]1CCCC[C@H]1C[NH3+] 44557461 166121544 /nfs/dbraw/zinc/12/15/44/166121544.db2.gz SHRISWGRPZHUFS-JTQLQIEISA-N 2 1 168.284 1.376 20 30 ADEDMP C=C(C)C[N@H+]1CCCC[C@H]1C[NH3+] 44557461 166121546 /nfs/dbraw/zinc/12/15/46/166121546.db2.gz SHRISWGRPZHUFS-JTQLQIEISA-N 2 1 168.284 1.376 20 30 ADEDMP C=C(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 157899897 166123147 /nfs/dbraw/zinc/12/31/47/166123147.db2.gz YYSJZSJTHLQPNU-NWDGAFQWSA-N 2 1 194.322 1.779 20 30 ADEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 157899763 166123197 /nfs/dbraw/zinc/12/31/97/166123197.db2.gz YYSJZSJTHLQPNU-VXGBXAGGSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CC[N@H+](C)CC(C)(C)C[NH3+] 17667894 166174532 /nfs/dbraw/zinc/17/45/32/166174532.db2.gz YHKGOHQRKXBGBE-UHFFFAOYSA-N 2 1 156.273 1.089 20 30 ADEDMP C=CC[N@H+]1CCC2(CC[NH2+]CC2)C1 82529652 166177765 /nfs/dbraw/zinc/17/77/65/166177765.db2.gz NPOYCVICTBFBTJ-UHFFFAOYSA-N 2 1 180.295 1.248 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 306288133 166177890 /nfs/dbraw/zinc/17/78/90/166177890.db2.gz LYRGNCGGNWKUPT-LLVKDONJSA-N 2 1 182.311 1.589 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 306288133 166177891 /nfs/dbraw/zinc/17/78/91/166177891.db2.gz LYRGNCGGNWKUPT-LLVKDONJSA-N 2 1 182.311 1.589 20 30 ADEDMP C=CC[NH+]1CC[C@@]2(CCC[N@H+](C)C2)C1 334461274 166180440 /nfs/dbraw/zinc/18/04/40/166180440.db2.gz VSKVIHCZHGLNAG-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 306288134 166180551 /nfs/dbraw/zinc/18/05/51/166180551.db2.gz LYRGNCGGNWKUPT-NSHDSACASA-N 2 1 182.311 1.589 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 306288134 166180552 /nfs/dbraw/zinc/18/05/52/166180552.db2.gz LYRGNCGGNWKUPT-NSHDSACASA-N 2 1 182.311 1.589 20 30 ADEDMP C=CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155775983 166190491 /nfs/dbraw/zinc/19/04/91/166190491.db2.gz GKWPHBUNRLAONK-GHMZBOCLSA-N 2 1 180.295 1.389 20 30 ADEDMP C=CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155776047 166193271 /nfs/dbraw/zinc/19/32/71/166193271.db2.gz GKWPHBUNRLAONK-WDEREUQCSA-N 2 1 180.295 1.389 20 30 ADEDMP C[NH+]1CCC([NH2+]CCCCC#N)CC1 42224866 171147053 /nfs/dbraw/zinc/14/70/53/171147053.db2.gz IDVDTBXBUPJRJO-UHFFFAOYSA-N 2 1 195.310 1.364 20 30 ADEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 157221127 344101683 /nfs/dbraw/zinc/10/16/83/344101683.db2.gz LMWYDTWLFPXIGO-GARJFASQSA-N 2 1 182.311 1.633 20 30 ADEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 157221127 344101684 /nfs/dbraw/zinc/10/16/84/344101684.db2.gz LMWYDTWLFPXIGO-GARJFASQSA-N 2 1 182.311 1.633 20 30 ADEDMP C#CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 220951403 344437112 /nfs/dbraw/zinc/43/71/12/344437112.db2.gz PDQKUMLYKRQZPW-NWDGAFQWSA-N 2 1 192.306 1.036 20 30 ADEDMP C=CC[N@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228473311 344562496 /nfs/dbraw/zinc/56/24/96/344562496.db2.gz GHNUJZUPTFSPGU-HBNTYKKESA-N 2 1 180.295 1.232 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 229547522 344602129 /nfs/dbraw/zinc/60/21/29/344602129.db2.gz XHPHUMXRSIJFEF-TUAOUCFPSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 229547522 344602130 /nfs/dbraw/zinc/60/21/30/344602130.db2.gz XHPHUMXRSIJFEF-TUAOUCFPSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 229547571 344602106 /nfs/dbraw/zinc/60/21/06/344602106.db2.gz LJCDTGMRKZRXED-GARJFASQSA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 229547571 344602107 /nfs/dbraw/zinc/60/21/07/344602107.db2.gz LJCDTGMRKZRXED-GARJFASQSA-N 2 1 180.295 1.080 20 30 ADEDMP C=CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 607155830 346989553 /nfs/dbraw/zinc/98/95/53/346989553.db2.gz JUZSGHUGFUGFAX-RYUDHWBXSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 607155830 346989554 /nfs/dbraw/zinc/98/95/54/346989554.db2.gz JUZSGHUGFUGFAX-RYUDHWBXSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 607155830 346989555 /nfs/dbraw/zinc/98/95/55/346989555.db2.gz JUZSGHUGFUGFAX-RYUDHWBXSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 607155829 346989664 /nfs/dbraw/zinc/98/96/64/346989664.db2.gz JUZSGHUGFUGFAX-NWDGAFQWSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 607155829 346989665 /nfs/dbraw/zinc/98/96/65/346989665.db2.gz JUZSGHUGFUGFAX-NWDGAFQWSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 607155829 346989666 /nfs/dbraw/zinc/98/96/66/346989666.db2.gz JUZSGHUGFUGFAX-NWDGAFQWSA-N 2 1 196.338 1.977 20 30 ADEDMP C=C(C)C[N@@H+](C)C1CC[NH+](CC)CC1 607150636 346988611 /nfs/dbraw/zinc/98/86/11/346988611.db2.gz KXPVLCYILCRJMG-UHFFFAOYSA-N 2 1 196.338 1.979 20 30 ADEDMP C=C(C)C[N@H+](C)C1CC[NH+](CC)CC1 607150636 346988612 /nfs/dbraw/zinc/98/86/12/346988612.db2.gz KXPVLCYILCRJMG-UHFFFAOYSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 607155828 346989502 /nfs/dbraw/zinc/98/95/02/346989502.db2.gz JUZSGHUGFUGFAX-NEPJUHHUSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 607155828 346989503 /nfs/dbraw/zinc/98/95/03/346989503.db2.gz JUZSGHUGFUGFAX-NEPJUHHUSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 607155828 346989504 /nfs/dbraw/zinc/98/95/04/346989504.db2.gz JUZSGHUGFUGFAX-NEPJUHHUSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 607155831 346989529 /nfs/dbraw/zinc/98/95/29/346989529.db2.gz JUZSGHUGFUGFAX-VXGBXAGGSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 607155831 346989530 /nfs/dbraw/zinc/98/95/30/346989530.db2.gz JUZSGHUGFUGFAX-VXGBXAGGSA-N 2 1 196.338 1.977 20 30 ADEDMP C=CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 607155831 346989531 /nfs/dbraw/zinc/98/95/31/346989531.db2.gz JUZSGHUGFUGFAX-VXGBXAGGSA-N 2 1 196.338 1.977 20 30 ADEDMP C=C(C)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 608577979 347012367 /nfs/dbraw/zinc/01/23/67/347012367.db2.gz OLSOAYJVPVXKPT-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 608577979 347012368 /nfs/dbraw/zinc/01/23/68/347012368.db2.gz OLSOAYJVPVXKPT-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 608577979 347012369 /nfs/dbraw/zinc/01/23/69/347012369.db2.gz OLSOAYJVPVXKPT-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077222 352936935 /nfs/dbraw/zinc/93/69/35/352936935.db2.gz FLNTXEVHOZPTDH-OPRDCNLKSA-N 2 1 168.284 1.149 20 30 ADEDMP C=CCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077546 352937393 /nfs/dbraw/zinc/93/73/93/352937393.db2.gz RUMMJNUNURKPSK-SDDRHHMPSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 643496918 352971256 /nfs/dbraw/zinc/97/12/56/352971256.db2.gz MLLZSTOXOANFNZ-SRVKXCTJSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 131657451 409487095 /nfs/dbraw/zinc/48/70/95/409487095.db2.gz KJDSKUVZPOMWAE-SNVBAGLBSA-N 2 1 180.295 1.246 20 30 ADEDMP C[NH+](C)CC1CC[NH+](CCC#N)CC1 42393553 343241408 /nfs/dbraw/zinc/24/14/08/343241408.db2.gz VWVBMHGMGFOZJC-UHFFFAOYSA-N 2 1 195.310 1.174 20 30 ADEDMP C=CCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 79618511 343589845 /nfs/dbraw/zinc/58/98/45/343589845.db2.gz JCLSYXBOFPHXRP-PHIMTYICSA-N 2 1 180.295 1.104 20 30 ADEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 126909915 343799670 /nfs/dbraw/zinc/79/96/70/343799670.db2.gz HAFGVHOPIHZEQW-IUCAKERBSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C 126909915 343799672 /nfs/dbraw/zinc/79/96/72/343799672.db2.gz HAFGVHOPIHZEQW-IUCAKERBSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126909446 343799793 /nfs/dbraw/zinc/79/97/93/343799793.db2.gz HAFGVHOPIHZEQW-DTWKUNHWSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C 126909446 343799795 /nfs/dbraw/zinc/79/97/95/343799795.db2.gz HAFGVHOPIHZEQW-DTWKUNHWSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 126909205 343799853 /nfs/dbraw/zinc/79/98/53/343799853.db2.gz HAFGVHOPIHZEQW-RKDXNWHRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C 126909205 343799855 /nfs/dbraw/zinc/79/98/55/343799855.db2.gz HAFGVHOPIHZEQW-RKDXNWHRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 157221274 344101350 /nfs/dbraw/zinc/10/13/50/344101350.db2.gz LMWYDTWLFPXIGO-AXFHLTTASA-N 2 1 182.311 1.633 20 30 ADEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 157221274 344101353 /nfs/dbraw/zinc/10/13/53/344101353.db2.gz LMWYDTWLFPXIGO-AXFHLTTASA-N 2 1 182.311 1.633 20 30 ADEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 157220977 344101375 /nfs/dbraw/zinc/10/13/75/344101375.db2.gz LMWYDTWLFPXIGO-HBNTYKKESA-N 2 1 182.311 1.633 20 30 ADEDMP C=C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 157220977 344101377 /nfs/dbraw/zinc/10/13/77/344101377.db2.gz LMWYDTWLFPXIGO-HBNTYKKESA-N 2 1 182.311 1.633 20 30 ADEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 157221418 344101559 /nfs/dbraw/zinc/10/15/59/344101559.db2.gz LMWYDTWLFPXIGO-DCAQKATOSA-N 2 1 182.311 1.633 20 30 ADEDMP C=C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 157221418 344101560 /nfs/dbraw/zinc/10/15/60/344101560.db2.gz LMWYDTWLFPXIGO-DCAQKATOSA-N 2 1 182.311 1.633 20 30 ADEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 157394252 344105369 /nfs/dbraw/zinc/10/53/69/344105369.db2.gz ODSDKMTZVRLGEU-BDAKNGLRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 157394252 344105371 /nfs/dbraw/zinc/10/53/71/344105371.db2.gz ODSDKMTZVRLGEU-BDAKNGLRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 157393813 344105516 /nfs/dbraw/zinc/10/55/16/344105516.db2.gz ODSDKMTZVRLGEU-DTWKUNHWSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 157393813 344105520 /nfs/dbraw/zinc/10/55/20/344105520.db2.gz ODSDKMTZVRLGEU-DTWKUNHWSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 157394108 344105635 /nfs/dbraw/zinc/10/56/35/344105635.db2.gz ODSDKMTZVRLGEU-IUCAKERBSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 157394108 344105637 /nfs/dbraw/zinc/10/56/37/344105637.db2.gz ODSDKMTZVRLGEU-IUCAKERBSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 157393963 344105644 /nfs/dbraw/zinc/10/56/44/344105644.db2.gz ODSDKMTZVRLGEU-RKDXNWHRSA-N 2 1 188.702 1.408 20 30 ADEDMP C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 157393963 344105647 /nfs/dbraw/zinc/10/56/47/344105647.db2.gz ODSDKMTZVRLGEU-RKDXNWHRSA-N 2 1 188.702 1.408 20 30 ADEDMP C[C@@H]1C[C@@H]([NH2+]CCCC#N)CC[N@H+]1C 158109613 344118592 /nfs/dbraw/zinc/11/85/92/344118592.db2.gz PJUNFGSNRYQYMP-MNOVXSKESA-N 2 1 195.310 1.362 20 30 ADEDMP C[C@H]1C[C@H]([NH2+]CCCC#N)CC[N@H+]1C 158109465 344118700 /nfs/dbraw/zinc/11/87/00/344118700.db2.gz PJUNFGSNRYQYMP-WDEREUQCSA-N 2 1 195.310 1.362 20 30 ADEDMP C[C@H]1C[C@@H]([NH2+]CCCC#N)CC[N@H+]1C 158109755 344118815 /nfs/dbraw/zinc/11/88/15/344118815.db2.gz PJUNFGSNRYQYMP-QWRGUYRKSA-N 2 1 195.310 1.362 20 30 ADEDMP C[C@@H]1C[C@H]([NH2+]CCCC#N)CC[N@H+]1C 158109329 344118853 /nfs/dbraw/zinc/11/88/53/344118853.db2.gz PJUNFGSNRYQYMP-GHMZBOCLSA-N 2 1 195.310 1.362 20 30 ADEDMP C=CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 169281495 344350468 /nfs/dbraw/zinc/35/04/68/344350468.db2.gz LSISPLPJSCCYTG-JTQLQIEISA-N 2 1 168.284 1.056 20 30 ADEDMP C=CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 169281495 344350471 /nfs/dbraw/zinc/35/04/71/344350471.db2.gz LSISPLPJSCCYTG-JTQLQIEISA-N 2 1 168.284 1.056 20 30 ADEDMP C=CC[N@H+]1CC[C@H](C[NH+](C)C)C1 169281561 344350601 /nfs/dbraw/zinc/35/06/01/344350601.db2.gz LSISPLPJSCCYTG-SNVBAGLBSA-N 2 1 168.284 1.056 20 30 ADEDMP C=CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 169281561 344350603 /nfs/dbraw/zinc/35/06/03/344350603.db2.gz LSISPLPJSCCYTG-SNVBAGLBSA-N 2 1 168.284 1.056 20 30 ADEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 220951403 344437114 /nfs/dbraw/zinc/43/71/14/344437114.db2.gz PDQKUMLYKRQZPW-NWDGAFQWSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 220951403 344437116 /nfs/dbraw/zinc/43/71/16/344437116.db2.gz PDQKUMLYKRQZPW-NWDGAFQWSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 220951403 344437118 /nfs/dbraw/zinc/43/71/18/344437118.db2.gz PDQKUMLYKRQZPW-NWDGAFQWSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 220951403 344437119 /nfs/dbraw/zinc/43/71/19/344437119.db2.gz PDQKUMLYKRQZPW-NWDGAFQWSA-N 2 1 192.306 1.036 20 30 ADEDMP C=CC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226028350 344490849 /nfs/dbraw/zinc/49/08/49/344490849.db2.gz VKINUIPYATVLOO-VHSXEESVSA-N 2 1 168.284 1.232 20 30 ADEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 227343712 344529205 /nfs/dbraw/zinc/52/92/05/344529205.db2.gz PDQKUMLYKRQZPW-VXGBXAGGSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 227343712 344529207 /nfs/dbraw/zinc/52/92/07/344529207.db2.gz PDQKUMLYKRQZPW-VXGBXAGGSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 227343712 344529208 /nfs/dbraw/zinc/52/92/08/344529208.db2.gz PDQKUMLYKRQZPW-VXGBXAGGSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 227343712 344529209 /nfs/dbraw/zinc/52/92/09/344529209.db2.gz PDQKUMLYKRQZPW-VXGBXAGGSA-N 2 1 192.306 1.036 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 229547588 344602171 /nfs/dbraw/zinc/60/21/71/344602171.db2.gz LJCDTGMRKZRXED-DCAQKATOSA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 229547588 344602174 /nfs/dbraw/zinc/60/21/74/344602174.db2.gz LJCDTGMRKZRXED-DCAQKATOSA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 229547503 344602276 /nfs/dbraw/zinc/60/22/76/344602276.db2.gz XHPHUMXRSIJFEF-QJPTWQEYSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 229547503 344602277 /nfs/dbraw/zinc/60/22/77/344602277.db2.gz XHPHUMXRSIJFEF-QJPTWQEYSA-N 2 1 194.322 1.471 20 30 ADEDMP C=CC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 251883417 344878645 /nfs/dbraw/zinc/87/86/45/344878645.db2.gz VKINUIPYATVLOO-NXEZZACHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252847980 344916043 /nfs/dbraw/zinc/91/60/43/344916043.db2.gz GHNUJZUPTFSPGU-DCAQKATOSA-N 2 1 180.295 1.232 20 30 ADEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252847981 344916242 /nfs/dbraw/zinc/91/62/42/344916242.db2.gz GHNUJZUPTFSPGU-GARJFASQSA-N 2 1 180.295 1.232 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 252944662 344920410 /nfs/dbraw/zinc/92/04/10/344920410.db2.gz LJCDTGMRKZRXED-HBNTYKKESA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 252944662 344920413 /nfs/dbraw/zinc/92/04/13/344920413.db2.gz LJCDTGMRKZRXED-HBNTYKKESA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 252944660 344920770 /nfs/dbraw/zinc/92/07/70/344920770.db2.gz LJCDTGMRKZRXED-AXFHLTTASA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 252944660 344920771 /nfs/dbraw/zinc/92/07/71/344920771.db2.gz LJCDTGMRKZRXED-AXFHLTTASA-N 2 1 180.295 1.080 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 252965972 344923001 /nfs/dbraw/zinc/92/30/01/344923001.db2.gz XHPHUMXRSIJFEF-IJLUTSLNSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 252965972 344923002 /nfs/dbraw/zinc/92/30/02/344923002.db2.gz XHPHUMXRSIJFEF-IJLUTSLNSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 252965973 344923024 /nfs/dbraw/zinc/92/30/24/344923024.db2.gz XHPHUMXRSIJFEF-UTUOFQBUSA-N 2 1 194.322 1.471 20 30 ADEDMP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 252965973 344923025 /nfs/dbraw/zinc/92/30/25/344923025.db2.gz XHPHUMXRSIJFEF-UTUOFQBUSA-N 2 1 194.322 1.471 20 30 ADEDMP C[N@H+]1CCC[C@H](CC[NH2+]CCC#N)C1 258994717 344946746 /nfs/dbraw/zinc/94/67/46/344946746.db2.gz YCFUJIXLLKFZBI-LLVKDONJSA-N 2 1 195.310 1.222 20 30 ADEDMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC#N)C1 258994718 344947104 /nfs/dbraw/zinc/94/71/04/344947104.db2.gz YCFUJIXLLKFZBI-NSHDSACASA-N 2 1 195.310 1.222 20 30 ADEDMP C=CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 306582436 345459273 /nfs/dbraw/zinc/45/92/73/345459273.db2.gz QKUHFLKBGNGXRK-AXFHLTTASA-N 2 1 182.311 1.478 20 30 ADEDMP C=CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 306582860 345459827 /nfs/dbraw/zinc/45/98/27/345459827.db2.gz QKUHFLKBGNGXRK-VWYCJHECSA-N 2 1 182.311 1.478 20 30 ADEDMP C=CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 306582856 345459867 /nfs/dbraw/zinc/45/98/67/345459867.db2.gz QKUHFLKBGNGXRK-DCAQKATOSA-N 2 1 182.311 1.478 20 30 ADEDMP C=CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 306582858 345460052 /nfs/dbraw/zinc/46/00/52/345460052.db2.gz QKUHFLKBGNGXRK-MXWKQRLJSA-N 2 1 182.311 1.478 20 30 ADEDMP C=CC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 308248112 346275363 /nfs/dbraw/zinc/27/53/63/346275363.db2.gz YVDDTIORGWEFFT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 308248112 346275365 /nfs/dbraw/zinc/27/53/65/346275365.db2.gz YVDDTIORGWEFFT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 308248112 346275366 /nfs/dbraw/zinc/27/53/66/346275366.db2.gz YVDDTIORGWEFFT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 308248112 346275368 /nfs/dbraw/zinc/27/53/68/346275368.db2.gz YVDDTIORGWEFFT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 308248111 346275467 /nfs/dbraw/zinc/27/54/67/346275467.db2.gz YVDDTIORGWEFFT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 308248111 346275469 /nfs/dbraw/zinc/27/54/69/346275469.db2.gz YVDDTIORGWEFFT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 308248111 346275471 /nfs/dbraw/zinc/27/54/71/346275471.db2.gz YVDDTIORGWEFFT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 308248111 346275472 /nfs/dbraw/zinc/27/54/72/346275472.db2.gz YVDDTIORGWEFFT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 308266473 346278547 /nfs/dbraw/zinc/27/85/47/346278547.db2.gz PVSZNEIUZZDFNM-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 308266475 346278870 /nfs/dbraw/zinc/27/88/70/346278870.db2.gz PVSZNEIUZZDFNM-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[N@@H+](C)C1CC[NH+](CC)CC1 393554966 346579156 /nfs/dbraw/zinc/57/91/56/346579156.db2.gz OQXUHOAEHDICKE-UHFFFAOYSA-N 2 1 182.311 1.589 20 30 ADEDMP C=CC[N@H+](C)C1CC[NH+](CC)CC1 393554966 346579158 /nfs/dbraw/zinc/57/91/58/346579158.db2.gz OQXUHOAEHDICKE-UHFFFAOYSA-N 2 1 182.311 1.589 20 30 ADEDMP C=CC1([NH+]2CCC2)CC[NH2+]CC1 536956309 346712929 /nfs/dbraw/zinc/71/29/29/346712929.db2.gz ZLLZTGRYFGONFX-UHFFFAOYSA-N 2 1 166.268 1.000 20 30 ADEDMP C=CC[N@H+](C)C1CC[NH+](C(C)C)CC1 585750113 346762274 /nfs/dbraw/zinc/76/22/74/346762274.db2.gz OGXBKNGSLCJOAL-UHFFFAOYSA-N 2 1 196.338 1.977 20 30 ADEDMP CC[C@@H]([NH2+]CCCC#N)[C@@H]1CCC[NH2+]1 591572771 346817033 /nfs/dbraw/zinc/81/70/33/346817033.db2.gz KOASSNJUJWBFDZ-MNOVXSKESA-N 2 1 195.310 1.410 20 30 ADEDMP CC[C@H]([NH2+]CCCC#N)[C@@H]1CCC[NH2+]1 591572772 346817291 /nfs/dbraw/zinc/81/72/91/346817291.db2.gz KOASSNJUJWBFDZ-QWRGUYRKSA-N 2 1 195.310 1.410 20 30 ADEDMP C[N@@H+](CCCC[NH2+]CCC#N)C1CC1 591771265 346822615 /nfs/dbraw/zinc/82/26/15/346822615.db2.gz YYLLGTHZUNERCO-UHFFFAOYSA-N 2 1 195.310 1.364 20 30 ADEDMP C=CC[N@H+](C)C1CC[NH+](CCC)CC1 600655656 346915068 /nfs/dbraw/zinc/91/50/68/346915068.db2.gz KCZPZXBNONYJSZ-UHFFFAOYSA-N 2 1 196.338 1.979 20 30 ADEDMP C=C(C)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 603556955 346956607 /nfs/dbraw/zinc/95/66/07/346956607.db2.gz QOMSYGRSONNVGL-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=C(C)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 603556956 346956825 /nfs/dbraw/zinc/95/68/25/346956825.db2.gz QOMSYGRSONNVGL-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 605421277 346969820 /nfs/dbraw/zinc/96/98/20/346969820.db2.gz IWPQKHNLBWZVHV-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 605421277 346969822 /nfs/dbraw/zinc/96/98/22/346969822.db2.gz IWPQKHNLBWZVHV-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 605421277 346969825 /nfs/dbraw/zinc/96/98/25/346969825.db2.gz IWPQKHNLBWZVHV-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 605421278 346969887 /nfs/dbraw/zinc/96/98/87/346969887.db2.gz IWPQKHNLBWZVHV-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 605421278 346969889 /nfs/dbraw/zinc/96/98/89/346969889.db2.gz IWPQKHNLBWZVHV-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 605421278 346969890 /nfs/dbraw/zinc/96/98/90/346969890.db2.gz IWPQKHNLBWZVHV-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 606903048 346986447 /nfs/dbraw/zinc/98/64/47/346986447.db2.gz YYCKBFBLTAMXEC-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 606903048 346986449 /nfs/dbraw/zinc/98/64/49/346986449.db2.gz YYCKBFBLTAMXEC-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 606903049 346986597 /nfs/dbraw/zinc/98/65/97/346986597.db2.gz YYCKBFBLTAMXEC-LBPRGKRZSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 606903049 346986599 /nfs/dbraw/zinc/98/65/99/346986599.db2.gz YYCKBFBLTAMXEC-LBPRGKRZSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CCC[N@@H+](C)C1CC[NH+](CC)CC1 607150736 346988653 /nfs/dbraw/zinc/98/86/53/346988653.db2.gz JMAPVPUTRVXNKU-UHFFFAOYSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[N@H+](C)C1CC[NH+](CC)CC1 607150736 346988654 /nfs/dbraw/zinc/98/86/54/346988654.db2.gz JMAPVPUTRVXNKU-UHFFFAOYSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 607358184 346990879 /nfs/dbraw/zinc/99/08/79/346990879.db2.gz NYXVYKZBPCLXEX-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 607358184 346990882 /nfs/dbraw/zinc/99/08/82/346990882.db2.gz NYXVYKZBPCLXEX-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 607358184 346990885 /nfs/dbraw/zinc/99/08/85/346990885.db2.gz NYXVYKZBPCLXEX-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 607358255 346991015 /nfs/dbraw/zinc/99/10/15/346991015.db2.gz ZXXJFWKWSLYKAT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 607358255 346991018 /nfs/dbraw/zinc/99/10/18/346991018.db2.gz ZXXJFWKWSLYKAT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 607358255 346991020 /nfs/dbraw/zinc/99/10/20/346991020.db2.gz ZXXJFWKWSLYKAT-NSHDSACASA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 607358254 346991123 /nfs/dbraw/zinc/99/11/23/346991123.db2.gz ZXXJFWKWSLYKAT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 607358254 346991125 /nfs/dbraw/zinc/99/11/25/346991125.db2.gz ZXXJFWKWSLYKAT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 607358254 346991126 /nfs/dbraw/zinc/99/11/26/346991126.db2.gz ZXXJFWKWSLYKAT-LLVKDONJSA-N 2 1 182.311 1.446 20 30 ADEDMP C=CCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 607358180 346991156 /nfs/dbraw/zinc/99/11/56/346991156.db2.gz NYXVYKZBPCLXEX-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 607358180 346991158 /nfs/dbraw/zinc/99/11/58/346991158.db2.gz NYXVYKZBPCLXEX-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 607358180 346991159 /nfs/dbraw/zinc/99/11/59/346991159.db2.gz NYXVYKZBPCLXEX-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP CC#CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 607734661 346994453 /nfs/dbraw/zinc/99/44/53/346994453.db2.gz KMPNPIOVZDPTNX-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 607734661 346994455 /nfs/dbraw/zinc/99/44/55/346994455.db2.gz KMPNPIOVZDPTNX-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 607734661 346994458 /nfs/dbraw/zinc/99/44/58/346994458.db2.gz KMPNPIOVZDPTNX-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 607734661 346994460 /nfs/dbraw/zinc/99/44/60/346994460.db2.gz KMPNPIOVZDPTNX-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 607734662 346994529 /nfs/dbraw/zinc/99/45/29/346994529.db2.gz KMPNPIOVZDPTNX-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 607734662 346994530 /nfs/dbraw/zinc/99/45/30/346994530.db2.gz KMPNPIOVZDPTNX-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 607734662 346994533 /nfs/dbraw/zinc/99/45/33/346994533.db2.gz KMPNPIOVZDPTNX-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 607734662 346994536 /nfs/dbraw/zinc/99/45/36/346994536.db2.gz KMPNPIOVZDPTNX-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP C=CC[N@H+](C)CC[C@H]1CCCC[NH+]1C 608500918 347008754 /nfs/dbraw/zinc/00/87/54/347008754.db2.gz VMOUZCUWOYHZIT-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C 608500918 347008757 /nfs/dbraw/zinc/00/87/57/347008757.db2.gz VMOUZCUWOYHZIT-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C 608500918 347008758 /nfs/dbraw/zinc/00/87/58/347008758.db2.gz VMOUZCUWOYHZIT-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[NH+](C)CC[C@H]1CCCC[N@H+]1C 608500918 347008761 /nfs/dbraw/zinc/00/87/61/347008761.db2.gz VMOUZCUWOYHZIT-GFCCVEGCSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C 608500919 347009031 /nfs/dbraw/zinc/00/90/31/347009031.db2.gz VMOUZCUWOYHZIT-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C 608500919 347009032 /nfs/dbraw/zinc/00/90/32/347009032.db2.gz VMOUZCUWOYHZIT-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C 608500919 347009034 /nfs/dbraw/zinc/00/90/34/347009034.db2.gz VMOUZCUWOYHZIT-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C 608500919 347009036 /nfs/dbraw/zinc/00/90/36/347009036.db2.gz VMOUZCUWOYHZIT-LBPRGKRZSA-N 2 1 196.338 1.979 20 30 ADEDMP C=CC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 608507975 347009725 /nfs/dbraw/zinc/00/97/25/347009725.db2.gz YFCYMTGHNXFJST-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 608507975 347009726 /nfs/dbraw/zinc/00/97/26/347009726.db2.gz YFCYMTGHNXFJST-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 608507972 347009768 /nfs/dbraw/zinc/00/97/68/347009768.db2.gz YFCYMTGHNXFJST-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 608507972 347009770 /nfs/dbraw/zinc/00/97/70/347009770.db2.gz YFCYMTGHNXFJST-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 608577944 347011086 /nfs/dbraw/zinc/01/10/86/347011086.db2.gz VSPPRNBDHWTLRM-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 608577944 347011091 /nfs/dbraw/zinc/01/10/91/347011091.db2.gz VSPPRNBDHWTLRM-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 608577944 347011096 /nfs/dbraw/zinc/01/10/96/347011096.db2.gz VSPPRNBDHWTLRM-GFCCVEGCSA-N 2 1 196.338 1.836 20 30 ADEDMP CC#CC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 608577943 347011465 /nfs/dbraw/zinc/01/14/65/347011465.db2.gz PTGJGJNIAOEUTQ-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 608577943 347011467 /nfs/dbraw/zinc/01/14/67/347011467.db2.gz PTGJGJNIAOEUTQ-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 608577943 347011471 /nfs/dbraw/zinc/01/14/71/347011471.db2.gz PTGJGJNIAOEUTQ-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 608577943 347011472 /nfs/dbraw/zinc/01/14/72/347011472.db2.gz PTGJGJNIAOEUTQ-LBPRGKRZSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 608577942 347011694 /nfs/dbraw/zinc/01/16/94/347011694.db2.gz PTGJGJNIAOEUTQ-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 608577942 347011695 /nfs/dbraw/zinc/01/16/95/347011695.db2.gz PTGJGJNIAOEUTQ-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 608577942 347011697 /nfs/dbraw/zinc/01/16/97/347011697.db2.gz PTGJGJNIAOEUTQ-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP CC#CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 608577942 347011698 /nfs/dbraw/zinc/01/16/98/347011698.db2.gz PTGJGJNIAOEUTQ-GFCCVEGCSA-N 2 1 194.322 1.283 20 30 ADEDMP C=CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 608577945 347011723 /nfs/dbraw/zinc/01/17/23/347011723.db2.gz VSPPRNBDHWTLRM-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 608577945 347011724 /nfs/dbraw/zinc/01/17/24/347011724.db2.gz VSPPRNBDHWTLRM-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 608577945 347011725 /nfs/dbraw/zinc/01/17/25/347011725.db2.gz VSPPRNBDHWTLRM-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 608577980 347012265 /nfs/dbraw/zinc/01/22/65/347012265.db2.gz OLSOAYJVPVXKPT-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 608577980 347012269 /nfs/dbraw/zinc/01/22/69/347012269.db2.gz OLSOAYJVPVXKPT-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C=C(C)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 608577980 347012273 /nfs/dbraw/zinc/01/22/73/347012273.db2.gz OLSOAYJVPVXKPT-LBPRGKRZSA-N 2 1 196.338 1.836 20 30 ADEDMP C[NH+](C)C[C@@H]1CC[N@H+](CCCC#N)C1 609600365 347019211 /nfs/dbraw/zinc/01/92/11/347019211.db2.gz RIPFUCMEIKEJEO-NSHDSACASA-N 2 1 195.310 1.174 20 30 ADEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC#N)C1 609600365 347019213 /nfs/dbraw/zinc/01/92/13/347019213.db2.gz RIPFUCMEIKEJEO-NSHDSACASA-N 2 1 195.310 1.174 20 30 ADEDMP C[NH+](C)C[C@H]1CC[N@H+](CCCC#N)C1 609600364 347019382 /nfs/dbraw/zinc/01/93/82/347019382.db2.gz RIPFUCMEIKEJEO-LLVKDONJSA-N 2 1 195.310 1.174 20 30 ADEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC#N)C1 609600364 347019384 /nfs/dbraw/zinc/01/93/84/347019384.db2.gz RIPFUCMEIKEJEO-LLVKDONJSA-N 2 1 195.310 1.174 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621779637 347232940 /nfs/dbraw/zinc/23/29/40/347232940.db2.gz HLPOYTFRMNQOGS-QWRGUYRKSA-N 2 1 180.295 1.376 20 30 ADEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621780810 347232977 /nfs/dbraw/zinc/23/29/77/347232977.db2.gz VVYCOEWESIMQJX-RYUDHWBXSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621780811 347233449 /nfs/dbraw/zinc/23/34/49/347233449.db2.gz VVYCOEWESIMQJX-VXGBXAGGSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621779635 347233548 /nfs/dbraw/zinc/23/35/48/347233548.db2.gz HLPOYTFRMNQOGS-GHMZBOCLSA-N 2 1 180.295 1.376 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621779638 347233595 /nfs/dbraw/zinc/23/35/95/347233595.db2.gz HLPOYTFRMNQOGS-WDEREUQCSA-N 2 1 180.295 1.376 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621780808 347233753 /nfs/dbraw/zinc/23/37/53/347233753.db2.gz VVYCOEWESIMQJX-NEPJUHHUSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621779636 347233813 /nfs/dbraw/zinc/23/38/13/347233813.db2.gz HLPOYTFRMNQOGS-MNOVXSKESA-N 2 1 180.295 1.376 20 30 ADEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621780809 347233857 /nfs/dbraw/zinc/23/38/57/347233857.db2.gz VVYCOEWESIMQJX-NWDGAFQWSA-N 2 1 194.322 1.766 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631842387 347390012 /nfs/dbraw/zinc/39/00/12/347390012.db2.gz ZSYJRORJGZEZKN-NXEZZACHSA-N 2 1 168.284 1.089 20 30 ADEDMP C=CCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 631858843 347391777 /nfs/dbraw/zinc/39/17/77/347391777.db2.gz FBIRTMSVBQJMHX-ZJUUUORDSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 631858843 347391782 /nfs/dbraw/zinc/39/17/82/347391782.db2.gz FBIRTMSVBQJMHX-ZJUUUORDSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 631858841 347391864 /nfs/dbraw/zinc/39/18/64/347391864.db2.gz FBIRTMSVBQJMHX-UWVGGRQHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 631858841 347391869 /nfs/dbraw/zinc/39/18/69/347391869.db2.gz FBIRTMSVBQJMHX-UWVGGRQHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 631858840 347391889 /nfs/dbraw/zinc/39/18/89/347391889.db2.gz FBIRTMSVBQJMHX-NXEZZACHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 631858840 347391893 /nfs/dbraw/zinc/39/18/93/347391893.db2.gz FBIRTMSVBQJMHX-NXEZZACHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 631858842 347392023 /nfs/dbraw/zinc/39/20/23/347392023.db2.gz FBIRTMSVBQJMHX-VHSXEESVSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 631858842 347392025 /nfs/dbraw/zinc/39/20/25/347392025.db2.gz FBIRTMSVBQJMHX-VHSXEESVSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 86886503 351657430 /nfs/dbraw/zinc/65/74/30/351657430.db2.gz UBVZHTMKIGOXCJ-UWVGGRQHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 86886500 351657840 /nfs/dbraw/zinc/65/78/40/351657840.db2.gz UBVZHTMKIGOXCJ-ZJUUUORDSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133266267 351737773 /nfs/dbraw/zinc/73/77/73/351737773.db2.gz HYSHLTPINMTQEG-MNOVXSKESA-N 2 1 180.295 1.389 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133266267 351737778 /nfs/dbraw/zinc/73/77/78/351737778.db2.gz HYSHLTPINMTQEG-MNOVXSKESA-N 2 1 180.295 1.389 20 30 ADEDMP C=C[C@@H](C)[NH2+]C1CC[NH+](C)CC1 157241835 351750857 /nfs/dbraw/zinc/75/08/57/351750857.db2.gz IGOSSHJUYYXLCC-SECBINFHSA-N 2 1 168.284 1.245 20 30 ADEDMP C=CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250515370 351832073 /nfs/dbraw/zinc/83/20/73/351832073.db2.gz GKWPHBUNRLAONK-MNOVXSKESA-N 2 1 180.295 1.389 20 30 ADEDMP C=CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250515372 351832107 /nfs/dbraw/zinc/83/21/07/351832107.db2.gz GKWPHBUNRLAONK-QWRGUYRKSA-N 2 1 180.295 1.389 20 30 ADEDMP C=C(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250536509 351832699 /nfs/dbraw/zinc/83/26/99/351832699.db2.gz YYSJZSJTHLQPNU-RYUDHWBXSA-N 2 1 194.322 1.779 20 30 ADEDMP C=C(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250536507 351832719 /nfs/dbraw/zinc/83/27/19/351832719.db2.gz YYSJZSJTHLQPNU-NEPJUHHUSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893612 351894344 /nfs/dbraw/zinc/89/43/44/351894344.db2.gz MVEZPDRRURFSRG-WDEREUQCSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893612 351894345 /nfs/dbraw/zinc/89/43/45/351894345.db2.gz MVEZPDRRURFSRG-WDEREUQCSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@H+]1CCC2(CC[NH2+]CC2)C1 306372234 351924379 /nfs/dbraw/zinc/92/43/79/351924379.db2.gz HXULQPLHVPXBFO-UHFFFAOYSA-N 2 1 194.322 1.638 20 30 ADEDMP C=CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 306514060 351940879 /nfs/dbraw/zinc/94/08/79/351940879.db2.gz TYRVDQOLKKOSDM-LLVKDONJSA-N 2 1 180.295 1.248 20 30 ADEDMP C=CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 306514061 351941075 /nfs/dbraw/zinc/94/10/75/351941075.db2.gz TYRVDQOLKKOSDM-NSHDSACASA-N 2 1 180.295 1.248 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306820583 351966783 /nfs/dbraw/zinc/96/67/83/351966783.db2.gz NENOHWDLYCFIBT-GHMZBOCLSA-N 2 1 180.295 1.104 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306820586 351966845 /nfs/dbraw/zinc/96/68/45/351966845.db2.gz NENOHWDLYCFIBT-WDEREUQCSA-N 2 1 180.295 1.104 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306820584 351966918 /nfs/dbraw/zinc/96/69/18/351966918.db2.gz NENOHWDLYCFIBT-MNOVXSKESA-N 2 1 180.295 1.104 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306820585 351967052 /nfs/dbraw/zinc/96/70/52/351967052.db2.gz NENOHWDLYCFIBT-QWRGUYRKSA-N 2 1 180.295 1.104 20 30 ADEDMP C=CC[NH+]1CCC2(CCC[N@H+]2C)CC1 334313456 352064187 /nfs/dbraw/zinc/06/41/87/352064187.db2.gz WSXVJDYWFPUWNF-UHFFFAOYSA-N 2 1 194.322 1.733 20 30 ADEDMP C=CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 334313456 352064190 /nfs/dbraw/zinc/06/41/90/352064190.db2.gz WSXVJDYWFPUWNF-UHFFFAOYSA-N 2 1 194.322 1.733 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 334980332 352086884 /nfs/dbraw/zinc/08/68/84/352086884.db2.gz NRVWEUNVQPEWPR-VXGBXAGGSA-N 2 1 194.322 1.494 20 30 ADEDMP C=CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 334980329 352086937 /nfs/dbraw/zinc/08/69/37/352086937.db2.gz NRVWEUNVQPEWPR-NEPJUHHUSA-N 2 1 194.322 1.494 20 30 ADEDMP C=CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 334980331 352086993 /nfs/dbraw/zinc/08/69/93/352086993.db2.gz NRVWEUNVQPEWPR-RYUDHWBXSA-N 2 1 194.322 1.494 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 334980330 352087115 /nfs/dbraw/zinc/08/71/15/352087115.db2.gz NRVWEUNVQPEWPR-NWDGAFQWSA-N 2 1 194.322 1.494 20 30 ADEDMP C=CC[N@@H+]1CC2(CC[NH2+]CC2)C[C@@H]1C 335279049 352092562 /nfs/dbraw/zinc/09/25/62/352092562.db2.gz OTAVXJJSYJXILJ-NSHDSACASA-N 2 1 194.322 1.636 20 30 ADEDMP C=CC[N@@H+]1CC2(CC[NH2+]CC2)C[C@H]1C 335279047 352092886 /nfs/dbraw/zinc/09/28/86/352092886.db2.gz OTAVXJJSYJXILJ-LLVKDONJSA-N 2 1 194.322 1.636 20 30 ADEDMP CC#CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 336119464 352126454 /nfs/dbraw/zinc/12/64/54/352126454.db2.gz SFWSVUHNPGXBTA-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP CC#CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 336119464 352126457 /nfs/dbraw/zinc/12/64/57/352126457.db2.gz SFWSVUHNPGXBTA-LBPRGKRZSA-N 2 1 194.322 1.426 20 30 ADEDMP CC#CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 336119463 352126593 /nfs/dbraw/zinc/12/65/93/352126593.db2.gz SFWSVUHNPGXBTA-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP CC#CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 336119463 352126597 /nfs/dbraw/zinc/12/65/97/352126597.db2.gz SFWSVUHNPGXBTA-GFCCVEGCSA-N 2 1 194.322 1.426 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 336571285 352148593 /nfs/dbraw/zinc/14/85/93/352148593.db2.gz YEXFPFVTHIBJLK-SNVBAGLBSA-N 2 1 191.278 1.775 20 30 ADEDMP C=CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 336571284 352148738 /nfs/dbraw/zinc/14/87/38/352148738.db2.gz YEXFPFVTHIBJLK-JTQLQIEISA-N 2 1 191.278 1.775 20 30 ADEDMP Cc1[nH+]ccn1CCC[NH2+]CCC#N 591727670 352916743 /nfs/dbraw/zinc/91/67/43/352916743.db2.gz OOMANJHZJGKXSY-UHFFFAOYSA-N 2 1 192.266 1.085 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643068863 352936427 /nfs/dbraw/zinc/93/64/27/352936427.db2.gz MGPOXXZGXNPWBM-MNOVXSKESA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643068863 352936432 /nfs/dbraw/zinc/93/64/32/352936432.db2.gz MGPOXXZGXNPWBM-MNOVXSKESA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077528 352936523 /nfs/dbraw/zinc/93/65/23/352936523.db2.gz PGULDHDMSCPYNZ-GMTAPVOTSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643068865 352936555 /nfs/dbraw/zinc/93/65/55/352936555.db2.gz MGPOXXZGXNPWBM-WDEREUQCSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643068865 352936558 /nfs/dbraw/zinc/93/65/58/352936558.db2.gz MGPOXXZGXNPWBM-WDEREUQCSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643068862 352936565 /nfs/dbraw/zinc/93/65/65/352936565.db2.gz MGPOXXZGXNPWBM-GHMZBOCLSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643068862 352936568 /nfs/dbraw/zinc/93/65/68/352936568.db2.gz MGPOXXZGXNPWBM-GHMZBOCLSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077221 352936578 /nfs/dbraw/zinc/93/65/78/352936578.db2.gz FLNTXEVHOZPTDH-LPEHRKFASA-N 2 1 168.284 1.149 20 30 ADEDMP C=CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077527 352936586 /nfs/dbraw/zinc/93/65/86/352936586.db2.gz PGULDHDMSCPYNZ-GARJFASQSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077220 352936639 /nfs/dbraw/zinc/93/66/39/352936639.db2.gz FLNTXEVHOZPTDH-KXUCPTDWSA-N 2 1 168.284 1.149 20 30 ADEDMP C=CCCC[NH2+][C@@H](C[NH3+])C(C)(C)C 643075627 352936657 /nfs/dbraw/zinc/93/66/57/352936657.db2.gz LDROMMQNYSPTTO-JTQLQIEISA-N 2 1 184.327 1.916 20 30 ADEDMP C=CCC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077530 352936764 /nfs/dbraw/zinc/93/67/64/352936764.db2.gz PGULDHDMSCPYNZ-OUAUKWLOSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643069232 352936805 /nfs/dbraw/zinc/93/68/05/352936805.db2.gz PTKCLYCHMKICJK-RYUDHWBXSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643069232 352936806 /nfs/dbraw/zinc/93/68/06/352936806.db2.gz PTKCLYCHMKICJK-RYUDHWBXSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643068864 352936827 /nfs/dbraw/zinc/93/68/27/352936827.db2.gz MGPOXXZGXNPWBM-QWRGUYRKSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643068864 352936828 /nfs/dbraw/zinc/93/68/28/352936828.db2.gz MGPOXXZGXNPWBM-QWRGUYRKSA-N 2 1 180.295 1.246 20 30 ADEDMP C=CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077219 352936846 /nfs/dbraw/zinc/93/68/46/352936846.db2.gz FLNTXEVHOZPTDH-IVZWLZJFSA-N 2 1 168.284 1.149 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643069230 352936849 /nfs/dbraw/zinc/93/68/49/352936849.db2.gz PTKCLYCHMKICJK-NEPJUHHUSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643069230 352936850 /nfs/dbraw/zinc/93/68/50/352936850.db2.gz PTKCLYCHMKICJK-NEPJUHHUSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643069233 352936856 /nfs/dbraw/zinc/93/68/56/352936856.db2.gz PTKCLYCHMKICJK-VXGBXAGGSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643069233 352936857 /nfs/dbraw/zinc/93/68/57/352936857.db2.gz PTKCLYCHMKICJK-VXGBXAGGSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077529 352936918 /nfs/dbraw/zinc/93/69/18/352936918.db2.gz PGULDHDMSCPYNZ-HBNTYKKESA-N 2 1 182.311 1.539 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643069231 352936929 /nfs/dbraw/zinc/93/69/29/352936929.db2.gz PTKCLYCHMKICJK-NWDGAFQWSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643069231 352936930 /nfs/dbraw/zinc/93/69/30/352936930.db2.gz PTKCLYCHMKICJK-NWDGAFQWSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[NH2+][C@H](C[NH3+])C(C)(C)C 643075628 352936961 /nfs/dbraw/zinc/93/69/61/352936961.db2.gz LDROMMQNYSPTTO-SNVBAGLBSA-N 2 1 184.327 1.916 20 30 ADEDMP C=CCCC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077543 352937398 /nfs/dbraw/zinc/93/73/98/352937398.db2.gz RUMMJNUNURKPSK-GRYCIOLGSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077545 352937480 /nfs/dbraw/zinc/93/74/80/352937480.db2.gz RUMMJNUNURKPSK-QJPTWQEYSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077544 352937649 /nfs/dbraw/zinc/93/76/49/352937649.db2.gz RUMMJNUNURKPSK-IJLUTSLNSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCC[C@H](CCC)[NH2+]CC[NH3+] 643495733 352969317 /nfs/dbraw/zinc/96/93/17/352969317.db2.gz SYFGLGNMIRKOPG-JTQLQIEISA-N 2 1 170.300 1.670 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643470558 352958839 /nfs/dbraw/zinc/95/88/39/352958839.db2.gz NITQWGFUTIEQEE-DCAQKATOSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643470559 352958890 /nfs/dbraw/zinc/95/88/90/352958890.db2.gz NITQWGFUTIEQEE-GARJFASQSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C 643470561 352959165 /nfs/dbraw/zinc/95/91/65/352959165.db2.gz NITQWGFUTIEQEE-VWYCJHECSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643470560 352959254 /nfs/dbraw/zinc/95/92/54/352959254.db2.gz NITQWGFUTIEQEE-OUAUKWLOSA-N 2 1 182.311 1.539 20 30 ADEDMP C=CCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643486444 352962532 /nfs/dbraw/zinc/96/25/32/352962532.db2.gz YFCUFCBNVWURNI-WDEREUQCSA-N 2 1 182.311 1.540 20 30 ADEDMP C=CCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643486441 352962645 /nfs/dbraw/zinc/96/26/45/352962645.db2.gz YFCUFCBNVWURNI-GHMZBOCLSA-N 2 1 182.311 1.540 20 30 ADEDMP C=CCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643486443 352962879 /nfs/dbraw/zinc/96/28/79/352962879.db2.gz YFCUFCBNVWURNI-QWRGUYRKSA-N 2 1 182.311 1.540 20 30 ADEDMP C=CCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643486442 352962939 /nfs/dbraw/zinc/96/29/39/352962939.db2.gz YFCUFCBNVWURNI-MNOVXSKESA-N 2 1 182.311 1.540 20 30 ADEDMP C=C(C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643492625 352966469 /nfs/dbraw/zinc/96/64/69/352966469.db2.gz VPUWUBVRCLDZGT-MNOVXSKESA-N 2 1 182.311 1.540 20 30 ADEDMP C=C(C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643492626 352966066 /nfs/dbraw/zinc/96/60/66/352966066.db2.gz VPUWUBVRCLDZGT-QWRGUYRKSA-N 2 1 182.311 1.540 20 30 ADEDMP C=C(C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643492624 352966340 /nfs/dbraw/zinc/96/63/40/352966340.db2.gz VPUWUBVRCLDZGT-GHMZBOCLSA-N 2 1 182.311 1.540 20 30 ADEDMP C=C(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643492627 352966419 /nfs/dbraw/zinc/96/64/19/352966419.db2.gz VPUWUBVRCLDZGT-WDEREUQCSA-N 2 1 182.311 1.540 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+]CC[NH3+] 643495700 352968101 /nfs/dbraw/zinc/96/81/01/352968101.db2.gz JXWBWPXFFGCWRE-SECBINFHSA-N 2 1 156.273 1.280 20 30 ADEDMP C=CCC[C@H]([NH2+]CC[NH3+])C1CC1 643495671 352968160 /nfs/dbraw/zinc/96/81/60/352968160.db2.gz CLNFALOZLLRUCI-JTQLQIEISA-N 2 1 168.284 1.280 20 30 ADEDMP C=CCC[C@@H]([NH2+]CC[NH3+])C1CC1 643495672 352968669 /nfs/dbraw/zinc/96/86/69/352968669.db2.gz CLNFALOZLLRUCI-SNVBAGLBSA-N 2 1 168.284 1.280 20 30 ADEDMP C=CCC[C@H](CC)[NH2+]CC[NH3+] 643495701 352968733 /nfs/dbraw/zinc/96/87/33/352968733.db2.gz JXWBWPXFFGCWRE-VIFPVBQESA-N 2 1 156.273 1.280 20 30 ADEDMP C=CCCCC[C@H](C)[NH2+]CC[NH3+] 643495859 352969155 /nfs/dbraw/zinc/96/91/55/352969155.db2.gz WXUJBAKUVBJVFI-JTQLQIEISA-N 2 1 170.300 1.670 20 30 ADEDMP C=CCCCC[C@@H](C)[NH2+]CC[NH3+] 643495860 352969280 /nfs/dbraw/zinc/96/92/80/352969280.db2.gz WXUJBAKUVBJVFI-SNVBAGLBSA-N 2 1 170.300 1.670 20 30 ADEDMP C=CCC[C@@H](CCC)[NH2+]CC[NH3+] 643495734 352969296 /nfs/dbraw/zinc/96/92/96/352969296.db2.gz SYFGLGNMIRKOPG-SNVBAGLBSA-N 2 1 170.300 1.670 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[NH3+] 643495738 352969490 /nfs/dbraw/zinc/96/94/90/352969490.db2.gz UCOSELIXTJDROE-RKDXNWHRSA-N 2 1 156.273 1.135 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC[NH3+] 643495736 352969531 /nfs/dbraw/zinc/96/95/31/352969531.db2.gz UCOSELIXTJDROE-DTWKUNHWSA-N 2 1 156.273 1.135 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC[NH3+] 643495737 352969601 /nfs/dbraw/zinc/96/96/01/352969601.db2.gz UCOSELIXTJDROE-IUCAKERBSA-N 2 1 156.273 1.135 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC[NH3+] 643495735 352969631 /nfs/dbraw/zinc/96/96/31/352969631.db2.gz UCOSELIXTJDROE-BDAKNGLRSA-N 2 1 156.273 1.135 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 643496919 352970993 /nfs/dbraw/zinc/97/09/93/352970993.db2.gz MLLZSTOXOANFNZ-TUAOUCFPSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643496916 352971154 /nfs/dbraw/zinc/97/11/54/352971154.db2.gz MLLZSTOXOANFNZ-QJPTWQEYSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643496917 352971341 /nfs/dbraw/zinc/97/13/41/352971341.db2.gz MLLZSTOXOANFNZ-SDDRHHMPSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC[NH2+]C 643504488 352975688 /nfs/dbraw/zinc/97/56/88/352975688.db2.gz XIAHZYLKBJXSAT-UWVGGRQHSA-N 2 1 170.300 1.396 20 30 ADEDMP C=CCC[C@H](CC)[NH2+]CC[NH2+]C 643504459 352975774 /nfs/dbraw/zinc/97/57/74/352975774.db2.gz SIEJVECJRHRJGG-JTQLQIEISA-N 2 1 170.300 1.540 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]C 643504490 352975906 /nfs/dbraw/zinc/97/59/06/352975906.db2.gz XIAHZYLKBJXSAT-ZJUUUORDSA-N 2 1 170.300 1.396 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]C 643504489 352976016 /nfs/dbraw/zinc/97/60/16/352976016.db2.gz XIAHZYLKBJXSAT-VHSXEESVSA-N 2 1 170.300 1.396 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]C 643504487 352976024 /nfs/dbraw/zinc/97/60/24/352976024.db2.gz XIAHZYLKBJXSAT-NXEZZACHSA-N 2 1 170.300 1.396 20 30 ADEDMP C=CCC[C@@H](CCC)[NH2+]CC[NH2+]C 643504455 352976109 /nfs/dbraw/zinc/97/61/09/352976109.db2.gz QULSKTQUASMKFA-LLVKDONJSA-N 2 1 184.327 1.930 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+]CC[NH2+]C 643504460 352976201 /nfs/dbraw/zinc/97/62/01/352976201.db2.gz SIEJVECJRHRJGG-SNVBAGLBSA-N 2 1 170.300 1.540 20 30 ADEDMP C=CCC[C@H](CCC)[NH2+]CC[NH2+]C 643504456 352976213 /nfs/dbraw/zinc/97/62/13/352976213.db2.gz QULSKTQUASMKFA-NSHDSACASA-N 2 1 184.327 1.930 20 30 ADEDMP C=CCCCC[C@H](C)[NH2+]CC[NH2+]C 643504673 352976829 /nfs/dbraw/zinc/97/68/29/352976829.db2.gz WEWHHNUCNORONR-NSHDSACASA-N 2 1 184.327 1.930 20 30 ADEDMP C=CCC[C@@H]([NH2+]CC[NH2+]C)C1CC1 643504859 352977068 /nfs/dbraw/zinc/97/70/68/352977068.db2.gz YMWGCSILDUQOQS-LLVKDONJSA-N 2 1 182.311 1.540 20 30 ADEDMP C=CCCCC[C@@H](C)[NH2+]CC[NH2+]C 643504672 352977171 /nfs/dbraw/zinc/97/71/71/352977171.db2.gz WEWHHNUCNORONR-LLVKDONJSA-N 2 1 184.327 1.930 20 30 ADEDMP C=CCC[C@H]([NH2+]CC[NH2+]C)C1CC1 643504860 352977185 /nfs/dbraw/zinc/97/71/85/352977185.db2.gz YMWGCSILDUQOQS-NSHDSACASA-N 2 1 182.311 1.540 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]CC 643505287 352977610 /nfs/dbraw/zinc/97/76/10/352977610.db2.gz BVBSTCPALUBTDQ-WDEREUQCSA-N 2 1 184.327 1.786 20 30 ADEDMP C=CCC[C@H]([NH2+]CC[NH2+]CC)C1CC1 643505258 352977790 /nfs/dbraw/zinc/97/77/90/352977790.db2.gz VWGQAKFLHLMCQF-LBPRGKRZSA-N 2 1 196.338 1.930 20 30 ADEDMP C=CCC[C@@H]([NH2+]CC[NH2+]CC)C1CC1 643505257 352977812 /nfs/dbraw/zinc/97/78/12/352977812.db2.gz VWGQAKFLHLMCQF-GFCCVEGCSA-N 2 1 196.338 1.930 20 30 ADEDMP C=CCC[C@H](CC)[NH2+]CC[NH2+]CC 643505397 352977873 /nfs/dbraw/zinc/97/78/73/352977873.db2.gz XPSJNNKCZCTTMH-NSHDSACASA-N 2 1 184.327 1.930 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]CC 643505284 352978041 /nfs/dbraw/zinc/97/80/41/352978041.db2.gz BVBSTCPALUBTDQ-GHMZBOCLSA-N 2 1 184.327 1.786 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+]CC[NH2+]CC 643505396 352978105 /nfs/dbraw/zinc/97/81/05/352978105.db2.gz XPSJNNKCZCTTMH-LLVKDONJSA-N 2 1 184.327 1.930 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]CC 643505285 352978175 /nfs/dbraw/zinc/97/81/75/352978175.db2.gz BVBSTCPALUBTDQ-MNOVXSKESA-N 2 1 184.327 1.786 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC[NH2+]CC 643505286 352978224 /nfs/dbraw/zinc/97/82/24/352978224.db2.gz BVBSTCPALUBTDQ-QWRGUYRKSA-N 2 1 184.327 1.786 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 643506215 352979660 /nfs/dbraw/zinc/97/96/60/352979660.db2.gz OTXKSPBYVSPTNA-GHMZBOCLSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCC[C@@H](C)[NH2+]CC[NH2+]C1CC1 643507371 352979860 /nfs/dbraw/zinc/97/98/60/352979860.db2.gz BBQUEMVVYXPUBL-SNVBAGLBSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]C1CC1 643506216 352979920 /nfs/dbraw/zinc/97/99/20/352979920.db2.gz OTXKSPBYVSPTNA-MNOVXSKESA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 643506218 352980332 /nfs/dbraw/zinc/98/03/32/352980332.db2.gz OTXKSPBYVSPTNA-WDEREUQCSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC[NH2+]C1CC1 643506217 352980341 /nfs/dbraw/zinc/98/03/41/352980341.db2.gz OTXKSPBYVSPTNA-QWRGUYRKSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCC[C@H](C)[NH2+]CC[NH2+]C1CC1 643507370 352980371 /nfs/dbraw/zinc/98/03/71/352980371.db2.gz BBQUEMVVYXPUBL-JTQLQIEISA-N 2 1 182.311 1.683 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 643512590 352983385 /nfs/dbraw/zinc/98/33/85/352983385.db2.gz GXUCJLURMGVKRQ-HOSYDEDBSA-N 2 1 196.338 1.914 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 643512593 352983421 /nfs/dbraw/zinc/98/34/21/352983421.db2.gz GXUCJLURMGVKRQ-UMNHJUIQSA-N 2 1 196.338 1.914 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 643512591 352983623 /nfs/dbraw/zinc/98/36/23/352983623.db2.gz GXUCJLURMGVKRQ-JBLDHEPKSA-N 2 1 196.338 1.914 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 643512592 352983776 /nfs/dbraw/zinc/98/37/76/352983776.db2.gz GXUCJLURMGVKRQ-NHCYSSNCSA-N 2 1 196.338 1.914 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 643515412 352986249 /nfs/dbraw/zinc/98/62/49/352986249.db2.gz MLLZSTOXOANFNZ-UTUOFQBUSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 643515413 352986618 /nfs/dbraw/zinc/98/66/18/352986618.db2.gz MLLZSTOXOANFNZ-WOPDTQHZSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+][C@H](C)C[NH3+] 643519585 352989932 /nfs/dbraw/zinc/98/99/32/352989932.db2.gz YQWSIIYFPSLCPV-NXEZZACHSA-N 2 1 170.300 1.668 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+] 643519505 352990002 /nfs/dbraw/zinc/99/00/02/352990002.db2.gz WDQGUPXAUVADOC-IVZWLZJFSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+] 643519504 352990080 /nfs/dbraw/zinc/99/00/80/352990080.db2.gz WDQGUPXAUVADOC-BBBLOLIVSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CCC[C@H](CC)[NH2+][C@H](C)C[NH3+] 643519586 352990145 /nfs/dbraw/zinc/99/01/45/352990145.db2.gz YQWSIIYFPSLCPV-ZJUUUORDSA-N 2 1 170.300 1.668 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+] 643519506 352990180 /nfs/dbraw/zinc/99/01/80/352990180.db2.gz WDQGUPXAUVADOC-OPRDCNLKSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+] 643519500 352990216 /nfs/dbraw/zinc/99/02/16/352990216.db2.gz WDQGUPXAUVADOC-AEJSXWLSSA-N 2 1 170.300 1.524 20 30 ADEDMP C=CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1CC1 643519811 352990617 /nfs/dbraw/zinc/99/06/17/352990617.db2.gz HWVLKEAEDPHBSL-MWLCHTKSSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CCC[C@H]([NH2+][C@H](C)C[NH3+])C1CC1 643519810 352990733 /nfs/dbraw/zinc/99/07/33/352990733.db2.gz HWVLKEAEDPHBSL-KOLCDFICSA-N 2 1 182.311 1.668 20 30 ADEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643522944 352991465 /nfs/dbraw/zinc/99/14/65/352991465.db2.gz MLLZSTOXOANFNZ-IJLUTSLNSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 643522943 352991472 /nfs/dbraw/zinc/99/14/72/352991472.db2.gz MLLZSTOXOANFNZ-GRYCIOLGSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 167669394 371682868 /nfs/dbraw/zinc/68/28/68/371682868.db2.gz YBNMFSCNFFZREX-NEPJUHHUSA-N 2 1 196.338 1.869 20 30 ADEDMP C=CCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 167675847 371683522 /nfs/dbraw/zinc/68/35/22/371683522.db2.gz LIMKYQXPMPNPEQ-QWRGUYRKSA-N 2 1 182.311 1.479 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 167669506 371683805 /nfs/dbraw/zinc/68/38/05/371683805.db2.gz YBNMFSCNFFZREX-RYUDHWBXSA-N 2 1 196.338 1.869 20 30 ADEDMP C=CCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 167675743 371683945 /nfs/dbraw/zinc/68/39/45/371683945.db2.gz LIMKYQXPMPNPEQ-MNOVXSKESA-N 2 1 182.311 1.479 20 30 ADEDMP C=CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63194511 375315037 /nfs/dbraw/zinc/31/50/37/375315037.db2.gz ZICDXUZJKTVCKE-ZJUUUORDSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] 63194511 375315042 /nfs/dbraw/zinc/31/50/42/375315042.db2.gz ZICDXUZJKTVCKE-ZJUUUORDSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 63194512 375315338 /nfs/dbraw/zinc/31/53/38/375315338.db2.gz ZICDXUZJKTVCKE-VHSXEESVSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] 63194512 375315341 /nfs/dbraw/zinc/31/53/41/375315341.db2.gz ZICDXUZJKTVCKE-VHSXEESVSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] 63194510 375315450 /nfs/dbraw/zinc/31/54/50/375315450.db2.gz ZICDXUZJKTVCKE-UWVGGRQHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] 63194510 375315454 /nfs/dbraw/zinc/31/54/54/375315454.db2.gz ZICDXUZJKTVCKE-UWVGGRQHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63194513 375315601 /nfs/dbraw/zinc/31/56/01/375315601.db2.gz ZICDXUZJKTVCKE-NXEZZACHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] 63194513 375315604 /nfs/dbraw/zinc/31/56/04/375315604.db2.gz ZICDXUZJKTVCKE-NXEZZACHSA-N 2 1 168.284 1.374 20 30 ADEDMP C=CCC[NH2+][C@@H](C[NH3+])C(C)(C)C 168629771 375399278 /nfs/dbraw/zinc/39/92/78/375399278.db2.gz ZZVVXBOVKZYWAA-VIFPVBQESA-N 2 1 170.300 1.526 20 30 ADEDMP C=CCC[NH2+][C@H](C[NH3+])C(C)(C)C 168629681 375399362 /nfs/dbraw/zinc/39/93/62/375399362.db2.gz ZZVVXBOVKZYWAA-SECBINFHSA-N 2 1 170.300 1.526 20 30 ADEDMP C=C(CC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400398174 375504834 /nfs/dbraw/zinc/50/48/34/375504834.db2.gz PRYDAYXNLUVKPJ-GHMZBOCLSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400398177 375504918 /nfs/dbraw/zinc/50/49/18/375504918.db2.gz PRYDAYXNLUVKPJ-QWRGUYRKSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400398179 375505143 /nfs/dbraw/zinc/50/51/43/375505143.db2.gz PRYDAYXNLUVKPJ-WDEREUQCSA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400398176 375505220 /nfs/dbraw/zinc/50/52/20/375505220.db2.gz PRYDAYXNLUVKPJ-MNOVXSKESA-N 2 1 182.311 1.683 20 30 ADEDMP C=CC[N@H+](CCC)C1CC[NH2+]CC1 37653851 409331604 /nfs/dbraw/zinc/33/16/04/409331604.db2.gz IZMLBZZEVLTKFS-UHFFFAOYSA-N 2 1 182.311 1.636 20 30 ADEDMP C=CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] 70559339 409427122 /nfs/dbraw/zinc/42/71/22/409427122.db2.gz RXQMKFFLTAOPFY-VHSXEESVSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] 70559339 409427126 /nfs/dbraw/zinc/42/71/26/409427126.db2.gz RXQMKFFLTAOPFY-VHSXEESVSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 70559338 409427411 /nfs/dbraw/zinc/42/74/11/409427411.db2.gz RXQMKFFLTAOPFY-NXEZZACHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] 70559338 409427416 /nfs/dbraw/zinc/42/74/16/409427416.db2.gz RXQMKFFLTAOPFY-NXEZZACHSA-N 2 1 168.284 1.232 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H](CC[NH3+])C1 70534426 409428411 /nfs/dbraw/zinc/42/84/11/409428411.db2.gz XMXGYTHOVUYCAF-SNVBAGLBSA-N 2 1 168.284 1.233 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 70534427 409428578 /nfs/dbraw/zinc/42/85/78/409428578.db2.gz XMXGYTHOVUYCAF-JTQLQIEISA-N 2 1 168.284 1.233 20 30 ADEDMP C=CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] 70593355 409429823 /nfs/dbraw/zinc/42/98/23/409429823.db2.gz UNULSOIUQRNYIB-LLVKDONJSA-N 2 1 182.311 1.766 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 70593374 409430126 /nfs/dbraw/zinc/43/01/26/409430126.db2.gz BVSMVRQKXSHSDH-GHMZBOCLSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 70593225 409430232 /nfs/dbraw/zinc/43/02/32/409430232.db2.gz RRFQUBMWUJNQCA-GFCCVEGCSA-N 2 1 196.338 1.884 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H](C[NH2+]C)C1 70593304 409430247 /nfs/dbraw/zinc/43/02/47/409430247.db2.gz NRNQFIBJNQUVCR-LLVKDONJSA-N 2 1 182.311 1.494 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 70593376 409430274 /nfs/dbraw/zinc/43/02/74/409430274.db2.gz BVSMVRQKXSHSDH-MNOVXSKESA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H](C[NH3+])C1 70593253 409430389 /nfs/dbraw/zinc/43/03/89/409430389.db2.gz XBQBHOAIMVTFHY-SNVBAGLBSA-N 2 1 168.284 1.233 20 30 ADEDMP C=CCCC[N@H+]1CCC[C@@H]([NH2+]C)C1 70593261 409430449 /nfs/dbraw/zinc/43/04/49/409430449.db2.gz IOJIKOXUYMADGS-LLVKDONJSA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCC[N@H+]1CCC[C@@H]([NH2+]C)C1 70593263 409430422 /nfs/dbraw/zinc/43/04/22/409430422.db2.gz OXVZMWZJRCOTQQ-SNVBAGLBSA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 70593263 409430425 /nfs/dbraw/zinc/43/04/25/409430425.db2.gz OXVZMWZJRCOTQQ-SNVBAGLBSA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 70593261 409430453 /nfs/dbraw/zinc/43/04/53/409430453.db2.gz IOJIKOXUYMADGS-LLVKDONJSA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCC[N@H+]1CCC[C@H]([NH2+]C)C1 70593264 409430591 /nfs/dbraw/zinc/43/05/91/409430591.db2.gz OXVZMWZJRCOTQQ-JTQLQIEISA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H]([NH2+]C)C1 70593264 409430593 /nfs/dbraw/zinc/43/05/93/409430593.db2.gz OXVZMWZJRCOTQQ-JTQLQIEISA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCCC[N@H+](C)C1CC[NH2+]CC1 70593206 409430616 /nfs/dbraw/zinc/43/06/16/409430616.db2.gz FQNUOEACWDVGGK-UHFFFAOYSA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 70593224 409430649 /nfs/dbraw/zinc/43/06/49/409430649.db2.gz RRFQUBMWUJNQCA-LBPRGKRZSA-N 2 1 196.338 1.884 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H](C[NH2+]C)C1 70593303 409430720 /nfs/dbraw/zinc/43/07/20/409430720.db2.gz NRNQFIBJNQUVCR-NSHDSACASA-N 2 1 182.311 1.494 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H](C[NH3+])C1 70593254 409430768 /nfs/dbraw/zinc/43/07/68/409430768.db2.gz XBQBHOAIMVTFHY-JTQLQIEISA-N 2 1 168.284 1.233 20 30 ADEDMP C=CCC[N@@H+]1CCCC[C@H]1CC[NH3+] 70593356 409430905 /nfs/dbraw/zinc/43/09/05/409430905.db2.gz UNULSOIUQRNYIB-NSHDSACASA-N 2 1 182.311 1.766 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@@H](C[NH2+]C)C1 70593226 409431098 /nfs/dbraw/zinc/43/10/98/409431098.db2.gz KZPKDWLYAUDBAW-NSHDSACASA-N 2 1 182.311 1.494 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H](CC[NH3+])C1 70593367 409431256 /nfs/dbraw/zinc/43/12/56/409431256.db2.gz HDHGIFQCKVPYKM-LLVKDONJSA-N 2 1 182.311 1.623 20 30 ADEDMP C=CCCC[N@H+]1CCC[C@H]([NH2+]C)C1 70593262 409431362 /nfs/dbraw/zinc/43/13/62/409431362.db2.gz IOJIKOXUYMADGS-NSHDSACASA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@H]([NH2+]C)C1 70593262 409431364 /nfs/dbraw/zinc/43/13/64/409431364.db2.gz IOJIKOXUYMADGS-NSHDSACASA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 70593375 409431427 /nfs/dbraw/zinc/43/14/27/409431427.db2.gz BVSMVRQKXSHSDH-QWRGUYRKSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 70593373 409431791 /nfs/dbraw/zinc/43/17/91/409431791.db2.gz BVSMVRQKXSHSDH-WDEREUQCSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@@H](CC[NH3+])C1 70593368 409431883 /nfs/dbraw/zinc/43/18/83/409431883.db2.gz HDHGIFQCKVPYKM-NSHDSACASA-N 2 1 182.311 1.623 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H](C[NH2+]C)C1 70593227 409432017 /nfs/dbraw/zinc/43/20/17/409432017.db2.gz KZPKDWLYAUDBAW-LLVKDONJSA-N 2 1 182.311 1.494 20 30 ADEDMP C=CC[N@H+](C)CCc1cncn1C 656498675 409437179 /nfs/dbraw/zinc/43/71/79/409437179.db2.gz SKNJXWZZWWWNEZ-UHFFFAOYSA-N 2 1 179.267 1.080 20 30 ADEDMP C=CC[C@@H]1CCC[N@H+](CCC[NH3+])C1 656787786 409450041 /nfs/dbraw/zinc/45/00/41/409450041.db2.gz VIKZPPISDXNEEC-LLVKDONJSA-N 2 1 182.311 1.623 20 30 ADEDMP C=CC[C@H]1CCC[N@H+](CCC[NH3+])C1 656787787 409450218 /nfs/dbraw/zinc/45/02/18/409450218.db2.gz VIKZPPISDXNEEC-NSHDSACASA-N 2 1 182.311 1.623 20 30 ADEDMP C=CC[N@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 125316102 409471652 /nfs/dbraw/zinc/47/16/52/409471652.db2.gz GHNUJZUPTFSPGU-AXFHLTTASA-N 2 1 180.295 1.232 20 30 ADEDMP C=CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 131657700 409485385 /nfs/dbraw/zinc/48/53/85/409485385.db2.gz KJDSKUVZPOMWAE-JTQLQIEISA-N 2 1 180.295 1.246 20 30 ADEDMP C=CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 131475871 409485558 /nfs/dbraw/zinc/48/55/58/409485558.db2.gz JLTIKVUWNZRVJX-JTQLQIEISA-N 2 1 168.284 1.104 20 30 ADEDMP C=CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 131672913 409485579 /nfs/dbraw/zinc/48/55/79/409485579.db2.gz TUZCVQFWZFZWAW-NSHDSACASA-N 2 1 194.322 1.636 20 30 ADEDMP C=CC[N@H+](C)C[C@H]1CCC[NH2+]C1 131456818 409485644 /nfs/dbraw/zinc/48/56/44/409485644.db2.gz WFULCKXUCFPHJP-JTQLQIEISA-N 2 1 168.284 1.104 20 30 ADEDMP C=CC[N@H+](C)C[C@@H]1CCC[NH2+]C1 131456580 409485789 /nfs/dbraw/zinc/48/57/89/409485789.db2.gz WFULCKXUCFPHJP-SNVBAGLBSA-N 2 1 168.284 1.104 20 30 ADEDMP C=CC[N@@H+](C)CCC1CC[NH2+]CC1 131457425 409486270 /nfs/dbraw/zinc/48/62/70/409486270.db2.gz NEQGBXIMDWLKLS-UHFFFAOYSA-N 2 1 182.311 1.494 20 30 ADEDMP C=CC[N@H+](CCC[NH2+]C)C1CC1 131664432 409486492 /nfs/dbraw/zinc/48/64/92/409486492.db2.gz RDVADBPDBYFXGV-UHFFFAOYSA-N 2 1 168.284 1.246 20 30 ADEDMP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 131690943 409486643 /nfs/dbraw/zinc/48/66/43/409486643.db2.gz NSZKKDGIQPGFCO-LLVKDONJSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CC[N@@H+](C)CCCC1CC[NH2+]CC1 131448252 409487018 /nfs/dbraw/zinc/48/70/18/409487018.db2.gz VBHRXRRXOQJWKD-UHFFFAOYSA-N 2 1 196.338 1.884 20 30 ADEDMP C=CC[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 131432405 409487063 /nfs/dbraw/zinc/48/70/63/409487063.db2.gz VZRJVSYCNNNCGP-NSHDSACASA-N 2 1 182.311 1.494 20 30 ADEDMP C=CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 131476087 409487136 /nfs/dbraw/zinc/48/71/36/409487136.db2.gz JLTIKVUWNZRVJX-SNVBAGLBSA-N 2 1 168.284 1.104 20 30 ADEDMP C=CC[N@@H+](C)CC[C@H]1CCC[NH2+]C1 131432601 409487225 /nfs/dbraw/zinc/48/72/25/409487225.db2.gz VZRJVSYCNNNCGP-LLVKDONJSA-N 2 1 182.311 1.494 20 30 ADEDMP C=CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 131672688 409487305 /nfs/dbraw/zinc/48/73/05/409487305.db2.gz TUZCVQFWZFZWAW-LLVKDONJSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 131690732 409487522 /nfs/dbraw/zinc/48/75/22/409487522.db2.gz NSZKKDGIQPGFCO-NSHDSACASA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 133328329 409493576 /nfs/dbraw/zinc/49/35/76/409493576.db2.gz YTNCBFRCPYIXRN-MNOVXSKESA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 133328329 409493584 /nfs/dbraw/zinc/49/35/84/409493584.db2.gz YTNCBFRCPYIXRN-MNOVXSKESA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]([NH2+]C)C1 133170936 409493858 /nfs/dbraw/zinc/49/38/58/409493858.db2.gz MLZBRQDHBCMUKA-JTQLQIEISA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]([NH2+]C)C1 133170936 409493866 /nfs/dbraw/zinc/49/38/66/409493866.db2.gz MLZBRQDHBCMUKA-JTQLQIEISA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@@H]1C[NH2+]C 133283664 409493953 /nfs/dbraw/zinc/49/39/53/409493953.db2.gz XCJOYSWQZVKRJD-SNVBAGLBSA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCC[N@H+](C)CC[C@H]([NH3+])C(C)C 133305910 409494054 /nfs/dbraw/zinc/49/40/54/409494054.db2.gz XLVXURNXSPUTNY-NSHDSACASA-N 2 1 184.327 1.868 20 30 ADEDMP C=CC[N@H+](C)CC[C@H]([NH3+])C(C)C 133298589 409494072 /nfs/dbraw/zinc/49/40/72/409494072.db2.gz QAYOHICCHWJPHS-JTQLQIEISA-N 2 1 170.300 1.478 20 30 ADEDMP C=CCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 133328494 409494427 /nfs/dbraw/zinc/49/44/27/409494427.db2.gz YTNCBFRCPYIXRN-WDEREUQCSA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 133328494 409494429 /nfs/dbraw/zinc/49/44/29/409494429.db2.gz YTNCBFRCPYIXRN-WDEREUQCSA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 133328672 409494499 /nfs/dbraw/zinc/49/44/99/409494499.db2.gz YTNCBFRCPYIXRN-GHMZBOCLSA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 133328672 409494502 /nfs/dbraw/zinc/49/45/02/409494502.db2.gz YTNCBFRCPYIXRN-GHMZBOCLSA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@@H]1C[NH2+]C 133280997 409494692 /nfs/dbraw/zinc/49/46/92/409494692.db2.gz AZCWTOMGZCYNHT-LLVKDONJSA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCC[N@H+](C)CC[C@@H]([NH3+])C(C)C 133305704 409494828 /nfs/dbraw/zinc/49/48/28/409494828.db2.gz XLVXURNXSPUTNY-LLVKDONJSA-N 2 1 184.327 1.868 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]([NH2+]C)C1 133170782 409495268 /nfs/dbraw/zinc/49/52/68/409495268.db2.gz MLZBRQDHBCMUKA-SNVBAGLBSA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 133170782 409495274 /nfs/dbraw/zinc/49/52/74/409495274.db2.gz MLZBRQDHBCMUKA-SNVBAGLBSA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 133328142 409495391 /nfs/dbraw/zinc/49/53/91/409495391.db2.gz YTNCBFRCPYIXRN-QWRGUYRKSA-N 2 1 198.310 1.001 20 30 ADEDMP C=CCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 133328142 409495397 /nfs/dbraw/zinc/49/53/97/409495397.db2.gz YTNCBFRCPYIXRN-QWRGUYRKSA-N 2 1 198.310 1.001 20 30 ADEDMP C=CC[N@H+](C)CC[C@@H]([NH3+])C(C)C 133298378 409495578 /nfs/dbraw/zinc/49/55/78/409495578.db2.gz QAYOHICCHWJPHS-SNVBAGLBSA-N 2 1 170.300 1.478 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133261673 409495802 /nfs/dbraw/zinc/49/58/02/409495802.db2.gz GPZYBXKTWGJRMW-NEPJUHHUSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133261673 409495805 /nfs/dbraw/zinc/49/58/05/409495805.db2.gz GPZYBXKTWGJRMW-NEPJUHHUSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCCC[N@@H+]1CCC[C@H]1C[NH2+]C 133280778 409495918 /nfs/dbraw/zinc/49/59/18/409495918.db2.gz AZCWTOMGZCYNHT-NSHDSACASA-N 2 1 182.311 1.636 20 30 ADEDMP C=CCC[N@@H+]1CCC[C@H]1C[NH2+]C 133283450 409495972 /nfs/dbraw/zinc/49/59/72/409495972.db2.gz XCJOYSWQZVKRJD-JTQLQIEISA-N 2 1 168.284 1.246 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C 133620480 409498516 /nfs/dbraw/zinc/49/85/16/409498516.db2.gz TZXVLGOYZRJRMM-WDEREUQCSA-N 2 1 182.311 1.764 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 133620890 409498581 /nfs/dbraw/zinc/49/85/81/409498581.db2.gz TZXVLGOYZRJRMM-QWRGUYRKSA-N 2 1 182.311 1.764 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C 133620253 409498715 /nfs/dbraw/zinc/49/87/15/409498715.db2.gz TZXVLGOYZRJRMM-GHMZBOCLSA-N 2 1 182.311 1.764 20 30 ADEDMP C=CCCC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 133620682 409498732 /nfs/dbraw/zinc/49/87/32/409498732.db2.gz TZXVLGOYZRJRMM-MNOVXSKESA-N 2 1 182.311 1.764 20 30 ADEDMP C=CCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C 658117517 409506755 /nfs/dbraw/zinc/50/67/55/409506755.db2.gz VYGSAPDXICTTRB-NEPJUHHUSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C 658117518 409507005 /nfs/dbraw/zinc/50/70/05/409507005.db2.gz VYGSAPDXICTTRB-NWDGAFQWSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C 658117520 409507146 /nfs/dbraw/zinc/50/71/46/409507146.db2.gz VYGSAPDXICTTRB-VXGBXAGGSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C 658117519 409507581 /nfs/dbraw/zinc/50/75/81/409507581.db2.gz VYGSAPDXICTTRB-RYUDHWBXSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306354650 409561730 /nfs/dbraw/zinc/56/17/30/409561730.db2.gz RFEFBRAJEPPIFF-QWRGUYRKSA-N 2 1 180.295 1.233 20 30 ADEDMP C=CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 660652380 409611806 /nfs/dbraw/zinc/61/18/06/409611806.db2.gz JADMFCRGCJZFSW-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 660652380 409611811 /nfs/dbraw/zinc/61/18/11/409611811.db2.gz JADMFCRGCJZFSW-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 660652380 409611816 /nfs/dbraw/zinc/61/18/16/409611816.db2.gz JADMFCRGCJZFSW-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 660652380 409611822 /nfs/dbraw/zinc/61/18/22/409611822.db2.gz JADMFCRGCJZFSW-GFCCVEGCSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 660652438 409612095 /nfs/dbraw/zinc/61/20/95/409612095.db2.gz JADMFCRGCJZFSW-LBPRGKRZSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 660652438 409612103 /nfs/dbraw/zinc/61/21/03/409612103.db2.gz JADMFCRGCJZFSW-LBPRGKRZSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 660652438 409612110 /nfs/dbraw/zinc/61/21/10/409612110.db2.gz JADMFCRGCJZFSW-LBPRGKRZSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 660652438 409612116 /nfs/dbraw/zinc/61/21/16/409612116.db2.gz JADMFCRGCJZFSW-LBPRGKRZSA-N 2 1 194.322 1.590 20 30 ADEDMP C=CCCC[NH2+][C@@](C)(C[NH3+])C(C)C 308197225 409695835 /nfs/dbraw/zinc/69/58/35/409695835.db2.gz RZENNAZDQKSTLD-NSHDSACASA-N 2 1 184.327 1.916 20 30 ADEDMP C=CCCC[NH2+][C@](C)(C[NH3+])C(C)C 308197224 409695847 /nfs/dbraw/zinc/69/58/47/409695847.db2.gz RZENNAZDQKSTLD-LLVKDONJSA-N 2 1 184.327 1.916 20 30 ADEDMP C=CC[C@H]1CCC[N@H+](CCC[NH2+]C)C1 662299723 409711124 /nfs/dbraw/zinc/71/11/24/409711124.db2.gz WAWJXGMECJECCV-LBPRGKRZSA-N 2 1 196.338 1.884 20 30 ADEDMP C=CC[C@@H]1CCC[N@H+](CCC[NH2+]C)C1 662299721 409712470 /nfs/dbraw/zinc/71/24/70/409712470.db2.gz WAWJXGMECJECCV-GFCCVEGCSA-N 2 1 196.338 1.884 20 30 ADEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 308578851 409735587 /nfs/dbraw/zinc/73/55/87/409735587.db2.gz OCBIYTHJBLEUCO-RYUDHWBXSA-N 2 1 194.322 1.623 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 308620536 409743418 /nfs/dbraw/zinc/74/34/18/409743418.db2.gz VFIFOPUGDYMHIH-VXGBXAGGSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 308620528 409744146 /nfs/dbraw/zinc/74/41/46/409744146.db2.gz VFIFOPUGDYMHIH-NEPJUHHUSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 308620532 409744887 /nfs/dbraw/zinc/74/48/87/409744887.db2.gz VFIFOPUGDYMHIH-RYUDHWBXSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 308620529 409745120 /nfs/dbraw/zinc/74/51/20/409745120.db2.gz VFIFOPUGDYMHIH-NWDGAFQWSA-N 2 1 194.322 1.636 20 30 ADEDMP C=CCCC[NH2+][C@@](C)(C[NH3+])C1CC1 308662412 409746544 /nfs/dbraw/zinc/74/65/44/409746544.db2.gz QTLZARIHVKLOTG-NSHDSACASA-N 2 1 182.311 1.670 20 30 ADEDMP C=CCCC[NH2+][C@](C)(C[NH3+])C1CC1 308662409 409747572 /nfs/dbraw/zinc/74/75/72/409747572.db2.gz QTLZARIHVKLOTG-LLVKDONJSA-N 2 1 182.311 1.670 20 30 ADEDMP C=CCC[C@@H](C)[NH2+][C@H](C)C[NH2+]C 663512026 409788134 /nfs/dbraw/zinc/78/81/34/409788134.db2.gz DUUICAIKGVBFBD-NXEZZACHSA-N 2 1 170.300 1.539 20 30 ADEDMP C=CCC[C@H](C)[NH2+][C@@H](C)C[NH2+]C 663512027 409788421 /nfs/dbraw/zinc/78/84/21/409788421.db2.gz DUUICAIKGVBFBD-UWVGGRQHSA-N 2 1 170.300 1.539 20 30 ADEDMP C=CCC[C@H](C)[NH2+][C@H](C)C[NH2+]C 663512029 409790235 /nfs/dbraw/zinc/79/02/35/409790235.db2.gz DUUICAIKGVBFBD-VHSXEESVSA-N 2 1 170.300 1.539 20 30 ADEDMP C=CCC[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 663512032 409791120 /nfs/dbraw/zinc/79/11/20/409791120.db2.gz DUUICAIKGVBFBD-ZJUUUORDSA-N 2 1 170.300 1.539 20 30 ADEDMP C=CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 379319971 409826832 /nfs/dbraw/zinc/82/68/32/409826832.db2.gz TZSIZPJAQJEIRO-SNVBAGLBSA-N 2 1 168.284 1.233 20 30 ADEDMP C=CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 665237807 409851678 /nfs/dbraw/zinc/85/16/78/409851678.db2.gz KDHQYKOSNDEHLA-ZJUUUORDSA-N 2 1 168.284 1.150 20 30 ADEDMP C=CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 665237806 409853294 /nfs/dbraw/zinc/85/32/94/409853294.db2.gz KDHQYKOSNDEHLA-VHSXEESVSA-N 2 1 168.284 1.150 20 30 ADEDMP C=CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 665237805 409854190 /nfs/dbraw/zinc/85/41/90/409854190.db2.gz KDHQYKOSNDEHLA-UWVGGRQHSA-N 2 1 168.284 1.150 20 30 ADEDMP C=CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 665237804 409854392 /nfs/dbraw/zinc/85/43/92/409854392.db2.gz KDHQYKOSNDEHLA-NXEZZACHSA-N 2 1 168.284 1.150 20 30 ADEDMP C=CCC[NH2+][C@@H](C)c1c[nH+]ccc1N 665238071 409855875 /nfs/dbraw/zinc/85/58/75/409855875.db2.gz PYTXDAPDIVHPLG-VIFPVBQESA-N 2 1 191.278 1.721 20 30 ADEDMP C=CCC[NH2+][C@H](C)c1c[nH+]ccc1N 665238070 409858658 /nfs/dbraw/zinc/85/86/58/409858658.db2.gz PYTXDAPDIVHPLG-SECBINFHSA-N 2 1 191.278 1.721 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+][C@H](C)C[NH2+]C 665296108 409871787 /nfs/dbraw/zinc/87/17/87/409871787.db2.gz MVAFAFAABWSRJS-GHMZBOCLSA-N 2 1 184.327 1.929 20 30 ADEDMP C=CCC[C@H](CC)[NH2+][C@@H](C)C[NH2+]C 665296110 409872528 /nfs/dbraw/zinc/87/25/28/409872528.db2.gz MVAFAFAABWSRJS-QWRGUYRKSA-N 2 1 184.327 1.929 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 665296094 409872549 /nfs/dbraw/zinc/87/25/49/409872549.db2.gz MSGKDFBFJMCQOZ-GARJFASQSA-N 2 1 184.327 1.785 20 30 ADEDMP C=CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1CC1 665296477 409872648 /nfs/dbraw/zinc/87/26/48/409872648.db2.gz SYOVFLCXCYERNP-ZYHUDNBSSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCC[C@H](CC)[NH2+][C@H](C)C[NH2+]C 665296109 409872947 /nfs/dbraw/zinc/87/29/47/409872947.db2.gz MVAFAFAABWSRJS-MNOVXSKESA-N 2 1 184.327 1.929 20 30 ADEDMP C=CCC[C@@H](CC)[NH2+][C@@H](C)C[NH2+]C 665296111 409872989 /nfs/dbraw/zinc/87/29/89/409872989.db2.gz MVAFAFAABWSRJS-WDEREUQCSA-N 2 1 184.327 1.929 20 30 ADEDMP C=CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1CC1 665296475 409873050 /nfs/dbraw/zinc/87/30/50/409873050.db2.gz SYOVFLCXCYERNP-JQWIXIFHSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1CC1 665296474 409873512 /nfs/dbraw/zinc/87/35/12/409873512.db2.gz SYOVFLCXCYERNP-CMPLNLGQSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH2+]C 665296092 409873529 /nfs/dbraw/zinc/87/35/29/409873529.db2.gz MSGKDFBFJMCQOZ-AXFHLTTASA-N 2 1 184.327 1.785 20 30 ADEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH2+]C 665296095 409873848 /nfs/dbraw/zinc/87/38/48/409873848.db2.gz MSGKDFBFJMCQOZ-HBNTYKKESA-N 2 1 184.327 1.785 20 30 ADEDMP C=CCC[C@H]([NH2+][C@H](C)C[NH2+]C)C1CC1 665296476 409874294 /nfs/dbraw/zinc/87/42/94/409874294.db2.gz SYOVFLCXCYERNP-PWSUYJOCSA-N 2 1 196.338 1.929 20 30 ADEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH2+]C 665296093 409874451 /nfs/dbraw/zinc/87/44/51/409874451.db2.gz MSGKDFBFJMCQOZ-DCAQKATOSA-N 2 1 184.327 1.785 20 30 ADEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](C)CC1 385034820 409924707 /nfs/dbraw/zinc/92/47/07/409924707.db2.gz LWWHTZGJJJQVEQ-UHFFFAOYSA-N 2 1 196.338 1.882 20 30 ADEDMP C=CC[N@H+](C1CC[NH2+]CC1)C1CC1 388818179 409963439 /nfs/dbraw/zinc/96/34/39/409963439.db2.gz HXAVMYRDCJMHFX-UHFFFAOYSA-N 2 1 180.295 1.389 20 30 ADEDMP C=CCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 388933904 409965219 /nfs/dbraw/zinc/96/52/19/409965219.db2.gz VAOPKJBNOASHOX-GFCCVEGCSA-N 2 1 194.322 1.638 20 30 ADEDMP C=CCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 388933906 409966721 /nfs/dbraw/zinc/96/67/21/409966721.db2.gz VAOPKJBNOASHOX-LBPRGKRZSA-N 2 1 194.322 1.638 20 30 ADEDMP C=CCC[N@H+](C1CC[NH2+]CC1)C1CC1 389890489 409974369 /nfs/dbraw/zinc/97/43/69/409974369.db2.gz VPXPRXPUBNTLGW-UHFFFAOYSA-N 2 1 194.322 1.779 20 30 ADEDMP C=CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 397309512 410013545 /nfs/dbraw/zinc/01/35/45/410013545.db2.gz ODOUOYLZFKPSDT-WOPDTQHZSA-N 2 1 196.338 1.868 20 30 ADEDMP C=CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 397309506 410013674 /nfs/dbraw/zinc/01/36/74/410013674.db2.gz ODOUOYLZFKPSDT-SRVKXCTJSA-N 2 1 196.338 1.868 20 30 ADEDMP C=CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 397309510 410013731 /nfs/dbraw/zinc/01/37/31/410013731.db2.gz ODOUOYLZFKPSDT-UTUOFQBUSA-N 2 1 196.338 1.868 20 30 ADEDMP C=CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 397309508 410013796 /nfs/dbraw/zinc/01/37/96/410013796.db2.gz ODOUOYLZFKPSDT-TUAOUCFPSA-N 2 1 196.338 1.868 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404397012 410041884 /nfs/dbraw/zinc/04/18/84/410041884.db2.gz PEJIJVVWVCUMMW-GHMZBOCLSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404397014 410042182 /nfs/dbraw/zinc/04/21/82/410042182.db2.gz PEJIJVVWVCUMMW-MNOVXSKESA-N 2 1 182.311 1.622 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404397375 410042285 /nfs/dbraw/zinc/04/22/85/410042285.db2.gz PEJIJVVWVCUMMW-QWRGUYRKSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404397376 410042582 /nfs/dbraw/zinc/04/25/82/410042582.db2.gz PEJIJVVWVCUMMW-WDEREUQCSA-N 2 1 182.311 1.622 20 30 ADEDMP C=CCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 649253121 410180170 /nfs/dbraw/zinc/18/01/70/410180170.db2.gz OMYMTMSJXCISDT-TXEJJXNPSA-N 2 1 194.322 1.494 20 30 ADEDMP C=CC[N@@H+](C)CCCCCC[NH3+] 131424774 573841854 /nfs/dbraw/zinc/84/18/54/573841854.db2.gz VAVQZANHAVPSBA-UHFFFAOYSA-N 2 1 170.300 1.623 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 252943403 629655033 /nfs/dbraw/zinc/65/50/33/629655033.db2.gz KNDIOPFIUIDNLL-SRVKXCTJSA-N 2 1 192.306 1.225 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 252943403 629655041 /nfs/dbraw/zinc/65/50/41/629655041.db2.gz KNDIOPFIUIDNLL-SRVKXCTJSA-N 2 1 192.306 1.225 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 252943404 629655349 /nfs/dbraw/zinc/65/53/49/629655349.db2.gz KNDIOPFIUIDNLL-TUAOUCFPSA-N 2 1 192.306 1.225 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 252943404 629655354 /nfs/dbraw/zinc/65/53/54/629655354.db2.gz KNDIOPFIUIDNLL-TUAOUCFPSA-N 2 1 192.306 1.225 20 30 ADEDMP CCCCCCC[N@@H+]1CC[C@H]([NH3+])C1 88236258 629822782 /nfs/dbraw/zinc/82/27/82/629822782.db2.gz YBDNOKPGMFWHMM-NSHDSACASA-N 2 1 184.327 1.990 20 30 ADEDMP CCCCCCC[N@H+]1CC[C@H]([NH3+])C1 88236258 629822789 /nfs/dbraw/zinc/82/27/89/629822789.db2.gz YBDNOKPGMFWHMM-NSHDSACASA-N 2 1 184.327 1.990 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 229547448 629903920 /nfs/dbraw/zinc/90/39/20/629903920.db2.gz KNDIOPFIUIDNLL-QJPTWQEYSA-N 2 1 192.306 1.225 20 30 ADEDMP C#C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 229547448 629903929 /nfs/dbraw/zinc/90/39/29/629903929.db2.gz KNDIOPFIUIDNLL-QJPTWQEYSA-N 2 1 192.306 1.225 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C(C)C 328016843 629997671 /nfs/dbraw/zinc/99/76/71/629997671.db2.gz RJZCGYOELSRYMC-GFCCVEGCSA-N 2 1 196.338 1.576 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C(C)C 328016843 629997678 /nfs/dbraw/zinc/99/76/78/629997678.db2.gz RJZCGYOELSRYMC-GFCCVEGCSA-N 2 1 196.338 1.576 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)C 328016844 629998433 /nfs/dbraw/zinc/99/84/33/629998433.db2.gz RJZCGYOELSRYMC-LBPRGKRZSA-N 2 1 196.338 1.576 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C(C)C 328016844 629998449 /nfs/dbraw/zinc/99/84/49/629998449.db2.gz RJZCGYOELSRYMC-LBPRGKRZSA-N 2 1 196.338 1.576 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)C 328016948 630000149 /nfs/dbraw/zinc/00/01/49/630000149.db2.gz RMESECMJYGIUDR-UHFFFAOYSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)C 328016948 630000153 /nfs/dbraw/zinc/00/01/53/630000153.db2.gz RMESECMJYGIUDR-UHFFFAOYSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]CCCC 327994633 630000335 /nfs/dbraw/zinc/00/03/35/630000335.db2.gz MDKBEAYRBYNPJT-UHFFFAOYSA-N 2 1 182.311 1.331 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]CCCC 327994633 630000344 /nfs/dbraw/zinc/00/03/44/630000344.db2.gz MDKBEAYRBYNPJT-UHFFFAOYSA-N 2 1 182.311 1.331 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C(CC)CC 328051529 630009751 /nfs/dbraw/zinc/00/97/51/630009751.db2.gz ZIRMBXXJWRIDQE-UHFFFAOYSA-N 2 1 196.338 1.720 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C(CC)CC 328051529 630009753 /nfs/dbraw/zinc/00/97/53/630009753.db2.gz ZIRMBXXJWRIDQE-UHFFFAOYSA-N 2 1 196.338 1.720 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(C)C1 328098430 630011117 /nfs/dbraw/zinc/01/11/17/630011117.db2.gz KICZIUSBHMAIJB-UHFFFAOYSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(C)C1 328098430 630011120 /nfs/dbraw/zinc/01/11/20/630011120.db2.gz KICZIUSBHMAIJB-UHFFFAOYSA-N 2 1 194.322 1.330 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC 328256690 630015416 /nfs/dbraw/zinc/01/54/16/630015416.db2.gz KJWOKOQQWUFVKG-GFCCVEGCSA-N 2 1 196.338 1.720 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC 328256690 630015422 /nfs/dbraw/zinc/01/54/22/630015422.db2.gz KJWOKOQQWUFVKG-GFCCVEGCSA-N 2 1 196.338 1.720 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)CC 328306778 630016872 /nfs/dbraw/zinc/01/68/72/630016872.db2.gz VUDAALDPDDDHBJ-LBPRGKRZSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)CC 328306778 630016878 /nfs/dbraw/zinc/01/68/78/630016878.db2.gz VUDAALDPDDDHBJ-LBPRGKRZSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC 328256691 630017400 /nfs/dbraw/zinc/01/74/00/630017400.db2.gz KJWOKOQQWUFVKG-LBPRGKRZSA-N 2 1 196.338 1.720 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC 328256691 630017404 /nfs/dbraw/zinc/01/74/04/630017404.db2.gz KJWOKOQQWUFVKG-LBPRGKRZSA-N 2 1 196.338 1.720 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)CC 328306777 630017419 /nfs/dbraw/zinc/01/74/19/630017419.db2.gz VUDAALDPDDDHBJ-GFCCVEGCSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)CC 328306777 630017421 /nfs/dbraw/zinc/01/74/21/630017421.db2.gz VUDAALDPDDDHBJ-GFCCVEGCSA-N 2 1 196.338 1.577 20 30 ADEDMP C=C(CC)C[NH2+][C@H]1CC[NH2+]C1(C)C 925690210 630034753 /nfs/dbraw/zinc/03/47/53/630034753.db2.gz IBCXGYHFSBFRLP-JTQLQIEISA-N 2 1 182.311 1.683 20 30 ADEDMP C=C(CC)C[NH2+][C@@H]1CC[NH2+]C1(C)C 925690211 630035362 /nfs/dbraw/zinc/03/53/62/630035362.db2.gz IBCXGYHFSBFRLP-SNVBAGLBSA-N 2 1 182.311 1.683 20 30 ADEDMP C=CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 335011193 630076118 /nfs/dbraw/zinc/07/61/18/630076118.db2.gz URVRDTMICMCOKE-LLVKDONJSA-N 2 1 180.295 1.390 20 30 ADEDMP C=CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 335011193 630076126 /nfs/dbraw/zinc/07/61/26/630076126.db2.gz URVRDTMICMCOKE-LLVKDONJSA-N 2 1 180.295 1.390 20 30 ADEDMP C#C[C@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 166516170 630217286 /nfs/dbraw/zinc/21/72/86/630217286.db2.gz MHWIODQVZXACBC-YEJSDXFRSA-N 2 1 192.306 1.223 20 30 ADEDMP C#C[C@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 166516170 630217324 /nfs/dbraw/zinc/21/73/24/630217324.db2.gz MHWIODQVZXACBC-YEJSDXFRSA-N 2 1 192.306 1.223 20 30 ADEDMP C#CC[N@H+]1CCC[C@H](n2ccnc2)C1 729921043 630385611 /nfs/dbraw/zinc/38/56/11/630385611.db2.gz SZUKNEVGDLRTDV-NSHDSACASA-N 2 1 189.262 1.153 20 30 ADEDMP C#CC[N@H+]1CCC[C@@H](n2ccnc2)C1 729921042 630387746 /nfs/dbraw/zinc/38/77/46/630387746.db2.gz SZUKNEVGDLRTDV-LLVKDONJSA-N 2 1 189.262 1.153 20 30 ADEDMP C#CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 88091325 630750827 /nfs/dbraw/zinc/75/08/27/630750827.db2.gz PDQKUMLYKRQZPW-NEPJUHHUSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 88091325 630750831 /nfs/dbraw/zinc/75/08/31/630750831.db2.gz PDQKUMLYKRQZPW-NEPJUHHUSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 88091325 630750837 /nfs/dbraw/zinc/75/08/37/630750837.db2.gz PDQKUMLYKRQZPW-NEPJUHHUSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 88091325 630750841 /nfs/dbraw/zinc/75/08/41/630750841.db2.gz PDQKUMLYKRQZPW-NEPJUHHUSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 88091324 630751241 /nfs/dbraw/zinc/75/12/41/630751241.db2.gz PDQKUMLYKRQZPW-RYUDHWBXSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 88091324 630751242 /nfs/dbraw/zinc/75/12/42/630751242.db2.gz PDQKUMLYKRQZPW-RYUDHWBXSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 88091324 630751248 /nfs/dbraw/zinc/75/12/48/630751248.db2.gz PDQKUMLYKRQZPW-RYUDHWBXSA-N 2 1 192.306 1.036 20 30 ADEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 88091324 630751251 /nfs/dbraw/zinc/75/12/51/630751251.db2.gz PDQKUMLYKRQZPW-RYUDHWBXSA-N 2 1 192.306 1.036 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 229547465 630869911 /nfs/dbraw/zinc/86/99/11/630869911.db2.gz KNDIOPFIUIDNLL-SDDRHHMPSA-N 2 1 192.306 1.225 20 30 ADEDMP C#C[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 229547465 630869906 /nfs/dbraw/zinc/86/99/06/630869906.db2.gz KNDIOPFIUIDNLL-SDDRHHMPSA-N 2 1 192.306 1.225 20 30 ADEDMP C#C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 229547465 630869915 /nfs/dbraw/zinc/86/99/15/630869915.db2.gz KNDIOPFIUIDNLL-SDDRHHMPSA-N 2 1 192.306 1.225 20 30 ADEDMP C#CC[N@@H+](CC)CCC[NH+](CC)CC 230729441 630883959 /nfs/dbraw/zinc/88/39/59/630883959.db2.gz LYFHQLWDAXNVEB-UHFFFAOYSA-N 2 1 196.338 1.673 20 30 ADEDMP C#CC[N@H+](CC)CCC[NH+](CC)CC 230729441 630883960 /nfs/dbraw/zinc/88/39/60/630883960.db2.gz LYFHQLWDAXNVEB-UHFFFAOYSA-N 2 1 196.338 1.673 20 30 ADEDMP C=CCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923517213 630900421 /nfs/dbraw/zinc/90/04/21/630900421.db2.gz AYVMSTMHZVGSKQ-WDEREUQCSA-N 2 1 180.295 1.104 20 30 ADEDMP C=CCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923520373 630900853 /nfs/dbraw/zinc/90/08/53/630900853.db2.gz XGAOFNDFAOGYCI-NWDGAFQWSA-N 2 1 194.322 1.494 20 30 ADEDMP C=CCC[N@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931281183 631122144 /nfs/dbraw/zinc/12/21/44/631122144.db2.gz PVJZDINATPKKBB-URLYPYJESA-N 2 1 180.295 1.054 20 30 ADEDMP C=CCC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931281183 631122146 /nfs/dbraw/zinc/12/21/46/631122146.db2.gz PVJZDINATPKKBB-URLYPYJESA-N 2 1 180.295 1.054 20 30 ADEDMP C=CCCC[N@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931279903 631122547 /nfs/dbraw/zinc/12/25/47/631122547.db2.gz SKDFDAVWSIFIBV-GDNZZTSVSA-N 2 1 194.322 1.444 20 30 ADEDMP C=CCCC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931279903 631122550 /nfs/dbraw/zinc/12/25/50/631122550.db2.gz SKDFDAVWSIFIBV-GDNZZTSVSA-N 2 1 194.322 1.444 20 30 ADEDMP C=CCCC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931279903 631122552 /nfs/dbraw/zinc/12/25/52/631122552.db2.gz SKDFDAVWSIFIBV-GDNZZTSVSA-N 2 1 194.322 1.444 20 30 ADEDMP C=CCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 931439239 631124536 /nfs/dbraw/zinc/12/45/36/631124536.db2.gz NPBOFPKKRYJWHQ-NEPJUHHUSA-N 2 1 194.322 1.446 20 30 ADEDMP C=CCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 931439239 631124537 /nfs/dbraw/zinc/12/45/37/631124537.db2.gz NPBOFPKKRYJWHQ-NEPJUHHUSA-N 2 1 194.322 1.446 20 30 ADEDMP C=CCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 931439239 631124540 /nfs/dbraw/zinc/12/45/40/631124540.db2.gz NPBOFPKKRYJWHQ-NEPJUHHUSA-N 2 1 194.322 1.446 20 30 ADEDMP CCCCCCC[N@@H+]1CC[C@@H](N)C1 88236259 631159670 /nfs/dbraw/zinc/15/96/70/631159670.db2.gz YBDNOKPGMFWHMM-LLVKDONJSA-N 2 1 184.327 1.990 20 30 ADEDMP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 88236259 631159673 /nfs/dbraw/zinc/15/96/73/631159673.db2.gz YBDNOKPGMFWHMM-LLVKDONJSA-N 2 1 184.327 1.990 20 30 ADEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])C1 88236259 631159674 /nfs/dbraw/zinc/15/96/74/631159674.db2.gz YBDNOKPGMFWHMM-LLVKDONJSA-N 2 1 184.327 1.990 20 30 ADEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)C(C)C 86703484 1224179762 /nfs/dbraw/zinc/17/97/62/1224179762.db2.gz MHAFKLVGKLTZJJ-UHFFFAOYSA-N 2 1 196.338 1.882 20 30 ADEDMP C#CCCC[NH2+]C1CC[NH+](C)CC1 160814558 1224192136 /nfs/dbraw/zinc/19/21/36/1224192136.db2.gz AQDOMQXTNFHNSK-UHFFFAOYSA-N 2 1 180.295 1.084 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(C)C 328196490 1224303595 /nfs/dbraw/zinc/30/35/95/1224303595.db2.gz RRFNNPJSCFGDQB-UHFFFAOYSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]CCC(C)C 328196490 1224303600 /nfs/dbraw/zinc/30/36/00/1224303600.db2.gz RRFNNPJSCFGDQB-UHFFFAOYSA-N 2 1 196.338 1.577 20 30 ADEDMP C#CC[N@H+](C)CCC[NH2+]C1CCCC1 382078328 1224321549 /nfs/dbraw/zinc/32/15/49/1224321549.db2.gz VBPHQFFYWNDLIB-UHFFFAOYSA-N 2 1 194.322 1.474 20 30 ADEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCCC1 382078328 1224321557 /nfs/dbraw/zinc/32/15/57/1224321557.db2.gz VBPHQFFYWNDLIB-UHFFFAOYSA-N 2 1 194.322 1.474 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396615266 1224335501 /nfs/dbraw/zinc/33/55/01/1224335501.db2.gz GYGMDIXXFPNXQD-HBNTYKKESA-N 2 1 182.311 1.681 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C 396615265 1224335651 /nfs/dbraw/zinc/33/56/51/1224335651.db2.gz GYGMDIXXFPNXQD-GARJFASQSA-N 2 1 182.311 1.681 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C 396615263 1224336020 /nfs/dbraw/zinc/33/60/20/1224336020.db2.gz GYGMDIXXFPNXQD-AXFHLTTASA-N 2 1 182.311 1.681 20 30 ADEDMP C=CC[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C 396615264 1224336240 /nfs/dbraw/zinc/33/62/40/1224336240.db2.gz GYGMDIXXFPNXQD-DCAQKATOSA-N 2 1 182.311 1.681 20 30 ADEDMP