smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[C@@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019901154 385186920 /nfs/dbraw/zinc/18/69/20/385186920.db2.gz WGUISIDAAVSYRW-OAHLLOKOSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CC[C@H](C)[NH2+]CC[NH+](C(C)C)C(C)C ZINC000019901155 347311110 /nfs/dbraw/zinc/31/11/10/347311110.db2.gz WGUISIDAAVSYRW-HNNXBMFYSA-N 2 1 242.451 3.520 20 0 BHADMP CC[N@@H+](CCCCCCC[NH3+])C1CCCCC1 ZINC000020073396 590070846 /nfs/dbraw/zinc/07/08/46/590070846.db2.gz CNEURNQFQCRIQS-UHFFFAOYSA-N 2 1 240.435 3.550 20 0 BHADMP C[N@@H+](CCCCCCC[NH3+])C1CCCCCC1 ZINC000036328718 640482672 /nfs/dbraw/zinc/48/26/72/640482672.db2.gz DVHWLWRAZCIQJZ-UHFFFAOYSA-N 2 1 240.435 3.550 20 0 BHADMP CC[NH+](CCCCC[N@H+](CC)C(C)C)C(C)C ZINC000157705177 342828176 /nfs/dbraw/zinc/82/81/76/342828176.db2.gz HKLOWXLPOYOCPW-UHFFFAOYSA-N 2 1 242.451 3.617 20 0 BHADMP CC[C@@H](C)[N@H+](C)CCCCC[NH+](C)[C@@H](C)CC ZINC000172654155 365363924 /nfs/dbraw/zinc/36/39/24/365363924.db2.gz LQBVBXQIMKFYHU-GASCZTMLSA-N 2 1 242.451 3.617 20 0 BHADMP CC[C@@H](C)[N@@H+](C)CCCCC[NH+](C)[C@@H](C)CC ZINC000172654155 365363917 /nfs/dbraw/zinc/36/39/17/365363917.db2.gz LQBVBXQIMKFYHU-GASCZTMLSA-N 2 1 242.451 3.617 20 0 BHADMP CC[C@@H](C)[NH+](C)CCCCC[N@H+](C)[C@@H](C)CC ZINC000172654155 365363912 /nfs/dbraw/zinc/36/39/12/365363912.db2.gz LQBVBXQIMKFYHU-GASCZTMLSA-N 2 1 242.451 3.617 20 0 BHADMP CC[C@H](C)[NH+](C)CCCCC[N@H+](C)[C@@H](C)CC ZINC000172654159 365363731 /nfs/dbraw/zinc/36/37/31/365363731.db2.gz LQBVBXQIMKFYHU-GJZGRUSLSA-N 2 1 242.451 3.617 20 0 BHADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221921231 385803518 /nfs/dbraw/zinc/80/35/18/385803518.db2.gz MXVVFVXZAZSFKI-HUUCEWRRSA-N 2 1 242.451 3.521 20 0 BHADMP CC[C@H](C[C@@H](C)CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221921305 385804333 /nfs/dbraw/zinc/80/43/33/385804333.db2.gz MXVVFVXZAZSFKI-LSDHHAIUSA-N 2 1 242.451 3.521 20 0 BHADMP CC[C@@H](C)C[C@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221921359 385804412 /nfs/dbraw/zinc/80/44/12/385804412.db2.gz MXVVFVXZAZSFKI-CABCVRRESA-N 2 1 242.451 3.521 20 0 BHADMP CC[C@H](C)C[C@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221921418 385804180 /nfs/dbraw/zinc/80/41/80/385804180.db2.gz MXVVFVXZAZSFKI-GJZGRUSLSA-N 2 1 242.451 3.521 20 0 BHADMP CC[C@@H](C)[NH+](C)CCCCC[N@H+](C)[C@H](C)CC ZINC000246977577 349109723 /nfs/dbraw/zinc/10/97/23/349109723.db2.gz LQBVBXQIMKFYHU-HUUCEWRRSA-N 2 1 242.451 3.617 20 0 BHADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000310320314 388480250 /nfs/dbraw/zinc/48/02/50/388480250.db2.gz ZTTHJEMFJPRJAF-AWEZNQCLSA-N 2 1 242.451 3.521 20 0 BHADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CCC(C)(C)C ZINC000310320316 388480410 /nfs/dbraw/zinc/48/04/10/388480410.db2.gz ZTTHJEMFJPRJAF-CQSZACIVSA-N 2 1 242.451 3.521 20 0 BHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000310395751 259382140 /nfs/dbraw/zinc/38/21/40/259382140.db2.gz FMQXLXCWNPABBN-KBPBESRZSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000310395751 259382138 /nfs/dbraw/zinc/38/21/38/259382138.db2.gz FMQXLXCWNPABBN-KBPBESRZSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000310395752 259382126 /nfs/dbraw/zinc/38/21/26/259382126.db2.gz FMQXLXCWNPABBN-KGLIPLIRSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000310395752 259382124 /nfs/dbraw/zinc/38/21/24/259382124.db2.gz FMQXLXCWNPABBN-KGLIPLIRSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000310395753 343470428 /nfs/dbraw/zinc/47/04/28/343470428.db2.gz FMQXLXCWNPABBN-UONOGXRCSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000310395753 343470426 /nfs/dbraw/zinc/47/04/26/343470426.db2.gz FMQXLXCWNPABBN-UONOGXRCSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000310395754 343470490 /nfs/dbraw/zinc/47/04/90/343470490.db2.gz FMQXLXCWNPABBN-ZIAGYGMSSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C ZINC000310395754 343470487 /nfs/dbraw/zinc/47/04/87/343470487.db2.gz FMQXLXCWNPABBN-ZIAGYGMSSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[N@@H+](CCCc1ccc(C)nc1)C1CC1 ZINC000353452359 387203936 /nfs/dbraw/zinc/20/39/36/387203936.db2.gz WBWLNKHYPDEUIH-UHFFFAOYSA-N 2 1 246.398 3.587 20 0 BHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000383434354 348635323 /nfs/dbraw/zinc/63/53/23/348635323.db2.gz CNDJUJHKJVUIKP-KKUMJFAQSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000383434354 348635321 /nfs/dbraw/zinc/63/53/21/348635321.db2.gz CNDJUJHKJVUIKP-KKUMJFAQSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000383434358 367621935 /nfs/dbraw/zinc/62/19/35/367621935.db2.gz CNDJUJHKJVUIKP-RRFJBIMHSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000383434358 367621934 /nfs/dbraw/zinc/62/19/34/367621934.db2.gz CNDJUJHKJVUIKP-RRFJBIMHSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000383434362 367622257 /nfs/dbraw/zinc/62/22/57/367622257.db2.gz CNDJUJHKJVUIKP-SOUVJXGZSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000383434362 367622251 /nfs/dbraw/zinc/62/22/51/367622251.db2.gz CNDJUJHKJVUIKP-SOUVJXGZSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000383434381 367621647 /nfs/dbraw/zinc/62/16/47/367621647.db2.gz CNDJUJHKJVUIKP-ZNMIVQPWSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000383434381 367621644 /nfs/dbraw/zinc/62/16/44/367621644.db2.gz CNDJUJHKJVUIKP-ZNMIVQPWSA-N 2 1 242.451 3.520 20 0 BHADMP C[C@@H](c1ccccc1)[N@@H+](C)CCCCCCC[NH3+] ZINC000383669920 712383929 /nfs/dbraw/zinc/38/39/29/712383929.db2.gz VMSPKIIWMAWSFC-HNNXBMFYSA-N 2 1 248.414 3.589 20 0 BHADMP C[C@H](c1ccccc1)[N@@H+](C)CCCCCCC[NH3+] ZINC000383669921 712383530 /nfs/dbraw/zinc/38/35/30/712383530.db2.gz VMSPKIIWMAWSFC-OAHLLOKOSA-N 2 1 248.414 3.589 20 0 BHADMP CCC[C@@H](C)[C@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000480187208 528905052 /nfs/dbraw/zinc/90/50/52/528905052.db2.gz WWZHYFJYFRQLPY-CABCVRRESA-N 2 1 242.451 3.521 20 0 BHADMP CCC[C@H](C)[C@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000480187209 528075663 /nfs/dbraw/zinc/07/56/63/528075663.db2.gz WWZHYFJYFRQLPY-GJZGRUSLSA-N 2 1 242.451 3.521 20 0 BHADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000480187210 528901841 /nfs/dbraw/zinc/90/18/41/528901841.db2.gz WWZHYFJYFRQLPY-HUUCEWRRSA-N 2 1 242.451 3.521 20 0 BHADMP CCC[C@H](C)[C@@H](CC)[NH2+]CCC[N@@H+](C)C(C)C ZINC000480187212 528069368 /nfs/dbraw/zinc/06/93/68/528069368.db2.gz WWZHYFJYFRQLPY-LSDHHAIUSA-N 2 1 242.451 3.521 20 0 BHADMP CCC[C@@H](C)[C@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000514819665 387290268 /nfs/dbraw/zinc/29/02/68/387290268.db2.gz ADHXSBFYUJPHSL-KFWWJZLASA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000514819665 387290264 /nfs/dbraw/zinc/29/02/64/387290264.db2.gz ADHXSBFYUJPHSL-KFWWJZLASA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000514819702 387290568 /nfs/dbraw/zinc/29/05/68/387290568.db2.gz ADHXSBFYUJPHSL-RBSFLKMASA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000514819702 387290564 /nfs/dbraw/zinc/29/05/64/387290564.db2.gz ADHXSBFYUJPHSL-RBSFLKMASA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000514819703 387290916 /nfs/dbraw/zinc/29/09/16/387290916.db2.gz ADHXSBFYUJPHSL-RRFJBIMHSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000514819703 387290910 /nfs/dbraw/zinc/29/09/10/387290910.db2.gz ADHXSBFYUJPHSL-RRFJBIMHSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000514819704 387290982 /nfs/dbraw/zinc/29/09/82/387290982.db2.gz ADHXSBFYUJPHSL-ZNMIVQPWSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000514819704 387290977 /nfs/dbraw/zinc/29/09/77/387290977.db2.gz ADHXSBFYUJPHSL-ZNMIVQPWSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000562089445 323011922 /nfs/dbraw/zinc/01/19/22/323011922.db2.gz ADHXSBFYUJPHSL-ILXRZTDVSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000562089445 323011921 /nfs/dbraw/zinc/01/19/21/323011921.db2.gz ADHXSBFYUJPHSL-ILXRZTDVSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000562089450 323011808 /nfs/dbraw/zinc/01/18/08/323011808.db2.gz ADHXSBFYUJPHSL-KKUMJFAQSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000562089450 323011807 /nfs/dbraw/zinc/01/18/07/323011807.db2.gz ADHXSBFYUJPHSL-KKUMJFAQSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000562089451 323011858 /nfs/dbraw/zinc/01/18/58/323011858.db2.gz ADHXSBFYUJPHSL-QLFBSQMISA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000562089451 323011857 /nfs/dbraw/zinc/01/18/57/323011857.db2.gz ADHXSBFYUJPHSL-QLFBSQMISA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000562089453 323011903 /nfs/dbraw/zinc/01/19/03/323011903.db2.gz ADHXSBFYUJPHSL-SOUVJXGZSA-N 2 1 242.451 3.520 20 0 BHADMP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000562089453 323011902 /nfs/dbraw/zinc/01/19/02/323011902.db2.gz ADHXSBFYUJPHSL-SOUVJXGZSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000562098601 323011982 /nfs/dbraw/zinc/01/19/82/323011982.db2.gz YWAUHZDMETXXHT-KFWWJZLASA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000562098601 323011981 /nfs/dbraw/zinc/01/19/81/323011981.db2.gz YWAUHZDMETXXHT-KFWWJZLASA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000562098602 323011962 /nfs/dbraw/zinc/01/19/62/323011962.db2.gz YWAUHZDMETXXHT-RBSFLKMASA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000562098602 323011961 /nfs/dbraw/zinc/01/19/61/323011961.db2.gz YWAUHZDMETXXHT-RBSFLKMASA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000562098603 323011953 /nfs/dbraw/zinc/01/19/53/323011953.db2.gz YWAUHZDMETXXHT-RRFJBIMHSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000562098603 323011952 /nfs/dbraw/zinc/01/19/52/323011952.db2.gz YWAUHZDMETXXHT-RRFJBIMHSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000562098604 323012069 /nfs/dbraw/zinc/01/20/69/323012069.db2.gz YWAUHZDMETXXHT-ZNMIVQPWSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000562098604 323012068 /nfs/dbraw/zinc/01/20/68/323012068.db2.gz YWAUHZDMETXXHT-ZNMIVQPWSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000570691974 323067462 /nfs/dbraw/zinc/06/74/62/323067462.db2.gz YWAUHZDMETXXHT-ILXRZTDVSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000570691974 323067461 /nfs/dbraw/zinc/06/74/61/323067461.db2.gz YWAUHZDMETXXHT-ILXRZTDVSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000570691975 323067373 /nfs/dbraw/zinc/06/73/73/323067373.db2.gz YWAUHZDMETXXHT-KKUMJFAQSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000570691975 323067372 /nfs/dbraw/zinc/06/73/72/323067372.db2.gz YWAUHZDMETXXHT-KKUMJFAQSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000570691976 323067355 /nfs/dbraw/zinc/06/73/55/323067355.db2.gz YWAUHZDMETXXHT-QLFBSQMISA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000570691976 323067354 /nfs/dbraw/zinc/06/73/54/323067354.db2.gz YWAUHZDMETXXHT-QLFBSQMISA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000570691977 323067432 /nfs/dbraw/zinc/06/74/32/323067432.db2.gz YWAUHZDMETXXHT-SOUVJXGZSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000570691977 323067431 /nfs/dbraw/zinc/06/74/31/323067431.db2.gz YWAUHZDMETXXHT-SOUVJXGZSA-N 2 1 242.451 3.520 20 0 BHADMP CCCC[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000570788906 323070180 /nfs/dbraw/zinc/07/01/80/323070180.db2.gz QOWXVODTLWNXHE-CABCVRRESA-N 2 1 242.451 3.521 20 0 BHADMP CCCC[C@H](C)[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000570788909 323070167 /nfs/dbraw/zinc/07/01/67/323070167.db2.gz QOWXVODTLWNXHE-GJZGRUSLSA-N 2 1 242.451 3.521 20 0 BHADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000570788910 323070152 /nfs/dbraw/zinc/07/01/52/323070152.db2.gz QOWXVODTLWNXHE-HUUCEWRRSA-N 2 1 242.451 3.521 20 0 BHADMP CCCC[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000570788914 323070232 /nfs/dbraw/zinc/07/02/32/323070232.db2.gz QOWXVODTLWNXHE-LSDHHAIUSA-N 2 1 242.451 3.521 20 0 BHADMP CC(C)CCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000571368537 323142933 /nfs/dbraw/zinc/14/29/33/323142933.db2.gz NSSZWCQAZDWTBI-HUUCEWRRSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000571368537 323142932 /nfs/dbraw/zinc/14/29/32/323142932.db2.gz NSSZWCQAZDWTBI-HUUCEWRRSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000571368558 323142920 /nfs/dbraw/zinc/14/29/20/323142920.db2.gz NSSZWCQAZDWTBI-LSDHHAIUSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000571368558 323142919 /nfs/dbraw/zinc/14/29/19/323142919.db2.gz NSSZWCQAZDWTBI-LSDHHAIUSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000573609343 364871323 /nfs/dbraw/zinc/87/13/23/364871323.db2.gz CNDJUJHKJVUIKP-ILXRZTDVSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000573609343 364871321 /nfs/dbraw/zinc/87/13/21/364871321.db2.gz CNDJUJHKJVUIKP-ILXRZTDVSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000573609349 364871388 /nfs/dbraw/zinc/87/13/88/364871388.db2.gz CNDJUJHKJVUIKP-QLFBSQMISA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000573609349 364871384 /nfs/dbraw/zinc/87/13/84/364871384.db2.gz CNDJUJHKJVUIKP-QLFBSQMISA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000574728409 365129907 /nfs/dbraw/zinc/12/99/07/365129907.db2.gz NSSZWCQAZDWTBI-CABCVRRESA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000574728409 365129900 /nfs/dbraw/zinc/12/99/00/365129900.db2.gz NSSZWCQAZDWTBI-CABCVRRESA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000574728416 365129607 /nfs/dbraw/zinc/12/96/07/365129607.db2.gz NSSZWCQAZDWTBI-GJZGRUSLSA-N 2 1 242.451 3.520 20 0 BHADMP CC(C)CCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000574728416 365129600 /nfs/dbraw/zinc/12/96/00/365129600.db2.gz NSSZWCQAZDWTBI-GJZGRUSLSA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000579779583 367005552 /nfs/dbraw/zinc/00/55/52/367005552.db2.gz CNDJUJHKJVUIKP-KFWWJZLASA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000579779583 367005546 /nfs/dbraw/zinc/00/55/46/367005546.db2.gz CNDJUJHKJVUIKP-KFWWJZLASA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000579779584 367004713 /nfs/dbraw/zinc/00/47/13/367004713.db2.gz CNDJUJHKJVUIKP-RBSFLKMASA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@@H](C)C[C@@H](CC)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000579779584 367004708 /nfs/dbraw/zinc/00/47/08/367004708.db2.gz CNDJUJHKJVUIKP-RBSFLKMASA-N 2 1 242.451 3.520 20 0 BHADMP CC[C@H]1CCCC[N@H+]1CCCc1cnccc1C ZINC000580498345 359751349 /nfs/dbraw/zinc/75/13/49/359751349.db2.gz KDHANRSUAYMMFW-INIZCTEOSA-N 2 1 246.398 3.587 20 0 BHADMP CC[C@@H]1CCCC[N@H+]1CCCc1cnccc1C ZINC000580498346 359751053 /nfs/dbraw/zinc/75/10/53/359751053.db2.gz KDHANRSUAYMMFW-MRXNPFEDSA-N 2 1 246.398 3.587 20 0 BHADMP CCC(C)(C)[NH+](C)CCC[N@H+](C)C(C)(C)CC ZINC000607152556 351030895 /nfs/dbraw/zinc/03/08/95/351030895.db2.gz OZFGSTWRNGWULP-UHFFFAOYSA-N 2 1 242.451 3.617 20 0 BHADMP CC(C)c1ccc([C@@H](C)[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662295327 412084335 /nfs/dbraw/zinc/08/43/35/412084335.db2.gz QDOOUOZWDXOKSI-CYBMUJFWSA-N 2 1 248.414 3.540 20 0 BHADMP CC(C)c1ccc([C@@H](C)[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662295327 412084332 /nfs/dbraw/zinc/08/43/32/412084332.db2.gz QDOOUOZWDXOKSI-CYBMUJFWSA-N 2 1 248.414 3.540 20 0 BHADMP CC(C)c1ccc([C@H](C)[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662295328 412084226 /nfs/dbraw/zinc/08/42/26/412084226.db2.gz QDOOUOZWDXOKSI-ZDUSSCGKSA-N 2 1 248.414 3.540 20 0 BHADMP CC(C)c1ccc([C@H](C)[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662295328 412084225 /nfs/dbraw/zinc/08/42/25/412084225.db2.gz QDOOUOZWDXOKSI-ZDUSSCGKSA-N 2 1 248.414 3.540 20 0 BHADMP C[N@@H+](CCCCCC[NH3+])C1CCCCCCC1 ZINC000710725958 712255582 /nfs/dbraw/zinc/25/55/82/712255582.db2.gz XTSVEWXJUZFFPH-UHFFFAOYSA-N 2 1 240.435 3.550 20 0 BHADMP Cc1ccccc1[C@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710729436 712255232 /nfs/dbraw/zinc/25/52/32/712255232.db2.gz LJJLGEWOMYNBEU-HNNXBMFYSA-N 2 1 248.414 3.507 20 0 BHADMP Cc1ccccc1[C@@H](C)[N@@H+](C)CCCCCC[NH3+] ZINC000710729440 712255433 /nfs/dbraw/zinc/25/54/33/712255433.db2.gz LJJLGEWOMYNBEU-OAHLLOKOSA-N 2 1 248.414 3.507 20 0 BHADMP Cc1ccc([C@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710730536 712255693 /nfs/dbraw/zinc/25/56/93/712255693.db2.gz UFTJSUBNALFMJY-HNNXBMFYSA-N 2 1 248.414 3.507 20 0 BHADMP Cc1ccc([C@@H](C)[N@@H+](C)CCCCCC[NH3+])cc1 ZINC000710730538 712255542 /nfs/dbraw/zinc/25/55/42/712255542.db2.gz UFTJSUBNALFMJY-OAHLLOKOSA-N 2 1 248.414 3.507 20 0 BHADMP CC(C)[N@@H+](CCCCCCC[NH3+])C1CCCC1 ZINC000842471422 588028724 /nfs/dbraw/zinc/02/87/24/588028724.db2.gz ARHGGNCBLRUZQE-UHFFFAOYSA-N 2 1 240.435 3.549 20 0 BHADMP