smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN1CCC[C@H]1C[C@H](C)O ZINC000159385374 385900670 /nfs/dbraw/zinc/90/06/70/385900670.db2.gz VOHMMRLTUFYNNM-IUCAKERBSA-N 0 3 200.282 -0.032 20 70 BBIDHN CNC(=O)CN1CCC[C@H]1C[C@@H](C)O ZINC000159385500 385900605 /nfs/dbraw/zinc/90/06/05/385900605.db2.gz VOHMMRLTUFYNNM-BDAKNGLRSA-N 0 3 200.282 -0.032 20 70 BBIDHN CNC(=O)CN1CCC[C@@H]1C[C@H](C)O ZINC000159385630 385901022 /nfs/dbraw/zinc/90/10/22/385901022.db2.gz VOHMMRLTUFYNNM-DTWKUNHWSA-N 0 3 200.282 -0.032 20 70 BBIDHN CNC(=O)CN1CCC[C@@H]1C[C@@H](C)O ZINC000159385728 385900357 /nfs/dbraw/zinc/90/03/57/385900357.db2.gz VOHMMRLTUFYNNM-RKDXNWHRSA-N 0 3 200.282 -0.032 20 70 BBIDHN CC(C)[C@H](C(=O)NCC(=O)N(C)C)N(C)C ZINC000159425318 345433690 /nfs/dbraw/zinc/43/36/90/345433690.db2.gz BTCOOHYSWPXKBE-SNVBAGLBSA-N 0 3 229.324 -0.223 20 70 BBIDHN CC(C)[C@@H](CO)NC(=O)C(C)S(C)(=O)=O ZINC000159455596 361237441 /nfs/dbraw/zinc/23/74/41/361237441.db2.gz MHDZKYNGABXKNH-HTQZYQBOSA-N 0 3 237.321 -0.447 20 70 BBIDHN CC(C)[C@@H](CO)NC(=O)C(C)S(C)(=O)=O ZINC000159455758 361237387 /nfs/dbraw/zinc/23/73/87/361237387.db2.gz MHDZKYNGABXKNH-JGVFFNPUSA-N 0 3 237.321 -0.447 20 70 BBIDHN CCNC(=O)CN1CC[C@H]([C@@H](C)O)C1 ZINC000159460013 386284913 /nfs/dbraw/zinc/28/49/13/386284913.db2.gz DEAORVLRDUQLOC-BDAKNGLRSA-N 0 3 200.282 -0.175 20 70 BBIDHN CCNC(=O)CN1CC[C@@H]([C@@H](C)O)C1 ZINC000159460142 386305972 /nfs/dbraw/zinc/30/59/72/386305972.db2.gz DEAORVLRDUQLOC-RKDXNWHRSA-N 0 3 200.282 -0.175 20 70 BBIDHN CCNC(=O)CNC(=O)[C@@H](C(C)C)N(C)C ZINC000159475001 345436796 /nfs/dbraw/zinc/43/67/96/345436796.db2.gz SGPPIEVCWOPXCB-SNVBAGLBSA-N 0 3 229.324 -0.175 20 70 BBIDHN C[C@H](C(=O)NC(N)=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000159520124 386651592 /nfs/dbraw/zinc/65/15/92/386651592.db2.gz LYIUINWPWAMOJM-VGMNWLOBSA-N 0 3 243.307 -0.337 20 70 BBIDHN C[C@]1(C(=O)NCCC(N)=O)CCCCN1 ZINC000159561563 361256144 /nfs/dbraw/zinc/25/61/44/361256144.db2.gz XTYFDFXCVONURM-SNVBAGLBSA-N 0 3 213.281 -0.490 20 70 BBIDHN C[C@@]1(C(=O)NCCC(N)=O)CCCCN1 ZINC000159561690 361256133 /nfs/dbraw/zinc/25/61/33/361256133.db2.gz XTYFDFXCVONURM-JTQLQIEISA-N 0 3 213.281 -0.490 20 70 BBIDHN CN(C)CCN(C)C(=O)N[C@@H]1CCOC1 ZINC000159565471 361256747 /nfs/dbraw/zinc/25/67/47/361256747.db2.gz GWUQWSMYGAVKNX-SECBINFHSA-N 0 3 215.297 -0.022 20 70 BBIDHN CN(C)CCN(C)C(=O)N[C@H]1CCOC1 ZINC000159565606 346425481 /nfs/dbraw/zinc/42/54/81/346425481.db2.gz GWUQWSMYGAVKNX-VIFPVBQESA-N 0 3 215.297 -0.022 20 70 BBIDHN COC(=O)CNC(=O)[C@@]1(C)CCCCN1 ZINC000159567958 361256858 /nfs/dbraw/zinc/25/68/58/361256858.db2.gz ZVAALCBEYHSLFL-SNVBAGLBSA-N 0 3 214.265 -0.192 20 70 BBIDHN COC(=O)CNC(=O)[C@]1(C)CCCCN1 ZINC000159568085 361257352 /nfs/dbraw/zinc/25/73/52/361257352.db2.gz ZVAALCBEYHSLFL-JTQLQIEISA-N 0 3 214.265 -0.192 20 70 BBIDHN C[C@H](O)CCN(C)C(=O)CNC1CC1 ZINC000159622577 343202292 /nfs/dbraw/zinc/20/22/92/343202292.db2.gz HWAQTVPXLHGXOR-QMMMGPOBSA-N 0 3 200.282 -0.032 20 70 BBIDHN C[C@@H](O)CCN(C)C(=O)CNC1CC1 ZINC000159622693 343202548 /nfs/dbraw/zinc/20/25/48/343202548.db2.gz HWAQTVPXLHGXOR-MRVPVSSYSA-N 0 3 200.282 -0.032 20 70 BBIDHN O=C(CNC1CC1)NCCc1ncc[nH]1 ZINC000159627264 488072310 /nfs/dbraw/zinc/07/23/10/488072310.db2.gz KZNVYZJRPFQREZ-UHFFFAOYSA-N 0 3 208.265 -0.180 20 70 BBIDHN CCOC(=O)CNC(=O)C(C)S(C)(=O)=O ZINC000159733949 361286233 /nfs/dbraw/zinc/28/62/33/361286233.db2.gz IETCBMWBUZHERH-ZCFIWIBFSA-N 0 3 237.277 -0.901 20 70 BBIDHN CCOC(=O)CNC(=O)C(C)S(C)(=O)=O ZINC000159734108 361285973 /nfs/dbraw/zinc/28/59/73/361285973.db2.gz IETCBMWBUZHERH-LURJTMIESA-N 0 3 237.277 -0.901 20 70 BBIDHN O=C([C@@H]1CNCCO1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159875690 345580144 /nfs/dbraw/zinc/58/01/44/345580144.db2.gz VWMDQSNAHPNTLF-AXFHLTTASA-N 0 3 239.319 -0.672 20 70 BBIDHN CC(C)N1CC[C@@H](NC(=O)[C@H](C)N)C1=O ZINC000160037413 188220409 /nfs/dbraw/zinc/22/04/09/188220409.db2.gz QFGHPZPWQXHWJK-JGVFFNPUSA-N 0 3 213.281 -0.541 20 70 BBIDHN CC(C)N1CC[C@H](NC(=O)[C@H](C)N)C1=O ZINC000160037587 167025108 /nfs/dbraw/zinc/02/51/08/167025108.db2.gz QFGHPZPWQXHWJK-YUMQZZPRSA-N 0 3 213.281 -0.541 20 70 BBIDHN CC(C)N1CC[C@H](NC(=O)[C@@H](C)N)C1=O ZINC000160037925 167025591 /nfs/dbraw/zinc/02/55/91/167025591.db2.gz QFGHPZPWQXHWJK-SFYZADRCSA-N 0 3 213.281 -0.541 20 70 BBIDHN CC(C)N1CC[C@@H](NC(=O)[C@@H](C)N)C1=O ZINC000160038060 388044512 /nfs/dbraw/zinc/04/45/12/388044512.db2.gz QFGHPZPWQXHWJK-HTQZYQBOSA-N 0 3 213.281 -0.541 20 70 BBIDHN CC[C@H](N)C(=O)N[C@@H]1CCN(C(C)C)C1=O ZINC000160039621 323058156 /nfs/dbraw/zinc/05/81/56/323058156.db2.gz UDLOHXUQTFHUHO-DTWKUNHWSA-N 0 3 227.308 -0.151 20 70 BBIDHN CC[C@H](N)C(=O)N[C@H]1CCN(C(C)C)C1=O ZINC000160039739 323058168 /nfs/dbraw/zinc/05/81/68/323058168.db2.gz UDLOHXUQTFHUHO-IUCAKERBSA-N 0 3 227.308 -0.151 20 70 BBIDHN CC(C)[C@@H](C(=O)N[C@@H](C)C(N)=O)N(C)C ZINC000160104333 345798390 /nfs/dbraw/zinc/79/83/90/345798390.db2.gz JSQZXSWEIQZHNM-YUMQZZPRSA-N 0 3 215.297 -0.437 20 70 BBIDHN CC(C)[C@@H](C(=O)N[C@H](C)C(N)=O)N(C)C ZINC000160104449 345798537 /nfs/dbraw/zinc/79/85/37/345798537.db2.gz JSQZXSWEIQZHNM-SFYZADRCSA-N 0 3 215.297 -0.437 20 70 BBIDHN CC(=O)NC[C@H](O)CN1CCCCC1 ZINC000160130643 346442058 /nfs/dbraw/zinc/44/20/58/346442058.db2.gz FIVGAGJRBZFWKG-JTQLQIEISA-N 0 3 200.282 -0.031 20 70 BBIDHN CC(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160130789 323060943 /nfs/dbraw/zinc/06/09/43/323060943.db2.gz FIVGAGJRBZFWKG-SNVBAGLBSA-N 0 3 200.282 -0.031 20 70 BBIDHN CC(C)[C@H](C(=O)N[C@@H](C)C(N)=O)N(C)C ZINC000160221603 384663032 /nfs/dbraw/zinc/66/30/32/384663032.db2.gz JSQZXSWEIQZHNM-JGVFFNPUSA-N 0 3 215.297 -0.437 20 70 BBIDHN CC(C)[C@H](C(=O)N[C@H](C)C(N)=O)N(C)C ZINC000160221758 384663295 /nfs/dbraw/zinc/66/32/95/384663295.db2.gz JSQZXSWEIQZHNM-HTQZYQBOSA-N 0 3 215.297 -0.437 20 70 BBIDHN CCN(CCCO)C(=O)C(C)S(C)(=O)=O ZINC000160318057 386349702 /nfs/dbraw/zinc/34/97/02/386349702.db2.gz WQOCGZPABKJCIO-MRVPVSSYSA-N 0 3 237.321 -0.350 20 70 BBIDHN CCN(CCCO)C(=O)C(C)S(C)(=O)=O ZINC000160318174 384400132 /nfs/dbraw/zinc/40/01/32/384400132.db2.gz WQOCGZPABKJCIO-QMMMGPOBSA-N 0 3 237.321 -0.350 20 70 BBIDHN COCCNCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160375656 174331172 /nfs/dbraw/zinc/33/11/72/174331172.db2.gz KKRUBLCHCWUCNS-PHIMTYICSA-N 0 3 241.335 -0.425 20 70 BBIDHN C[C@H](N)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000160437228 383839547 /nfs/dbraw/zinc/83/95/47/383839547.db2.gz NHJJZWKJFMENNF-ZETCQYMHSA-N 0 3 211.265 -0.833 20 70 BBIDHN C[C@@H](N)C(=O)N1CCN(C2CC2)C(=O)C1 ZINC000160437343 388067501 /nfs/dbraw/zinc/06/75/01/388067501.db2.gz NHJJZWKJFMENNF-SSDOTTSWSA-N 0 3 211.265 -0.833 20 70 BBIDHN CNCCN(C)S(=O)(=O)NC(C)C ZINC000160515452 342771926 /nfs/dbraw/zinc/77/19/26/342771926.db2.gz HUWKKCPIMDKZRB-UHFFFAOYSA-N 0 3 209.315 -0.620 20 70 BBIDHN CCCNS(=O)(=O)N1CCNC(C)(C)C1 ZINC000160515884 323069889 /nfs/dbraw/zinc/06/98/89/323069889.db2.gz NWBMDMJBKJPXNS-UHFFFAOYSA-N 0 3 235.353 -0.085 20 70 BBIDHN CC(C)NS(=O)(=O)N1CCNC(C)(C)C1 ZINC000160516448 323069833 /nfs/dbraw/zinc/06/98/33/323069833.db2.gz XMKCQLBTDWBDQC-UHFFFAOYSA-N 0 3 235.353 -0.087 20 70 BBIDHN CCCNS(=O)(=O)N1C[C@H](C)NC[C@@H]1C ZINC000160517114 169271657 /nfs/dbraw/zinc/27/16/57/169271657.db2.gz JUTMXJDFMIOEAX-IUCAKERBSA-N 0 3 235.353 -0.087 20 70 BBIDHN CCCNS(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000160517252 169270971 /nfs/dbraw/zinc/27/09/71/169270971.db2.gz JUTMXJDFMIOEAX-BDAKNGLRSA-N 0 3 235.353 -0.087 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@@H](C)NC[C@H]1C ZINC000160518418 167126492 /nfs/dbraw/zinc/12/64/92/167126492.db2.gz HCROSGPXEMGVAD-RKDXNWHRSA-N 0 3 235.353 -0.089 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000160518561 167125261 /nfs/dbraw/zinc/12/52/61/167125261.db2.gz HCROSGPXEMGVAD-BDAKNGLRSA-N 0 3 235.353 -0.089 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@H](C)NC[C@H]1C ZINC000160518687 167126397 /nfs/dbraw/zinc/12/63/97/167126397.db2.gz HCROSGPXEMGVAD-DTWKUNHWSA-N 0 3 235.353 -0.089 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@H](C)NC[C@@H]1C ZINC000160518818 167126139 /nfs/dbraw/zinc/12/61/39/167126139.db2.gz HCROSGPXEMGVAD-IUCAKERBSA-N 0 3 235.353 -0.089 20 70 BBIDHN CN(C)CCNC(=O)N[C@@H]1CCOC1 ZINC000160539218 388073445 /nfs/dbraw/zinc/07/34/45/388073445.db2.gz GDRHAKPNDWUSJE-MRVPVSSYSA-N 0 3 201.270 -0.364 20 70 BBIDHN CN(C)CCNC(=O)N[C@H]1CCOC1 ZINC000160539347 388073684 /nfs/dbraw/zinc/07/36/84/388073684.db2.gz GDRHAKPNDWUSJE-QMMMGPOBSA-N 0 3 201.270 -0.364 20 70 BBIDHN NC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000160580511 388075678 /nfs/dbraw/zinc/07/56/78/388075678.db2.gz UYRARHIINONBBU-DTORHVGOSA-N 0 3 209.293 -0.169 20 70 BBIDHN COCC(=O)NCC1CCN(CCO)CC1 ZINC000160698032 174049728 /nfs/dbraw/zinc/04/97/28/174049728.db2.gz XMOMHWFBMULGRS-UHFFFAOYSA-N 0 3 230.308 -0.547 20 70 BBIDHN CCN(CCCO)[C@@H](C)C(=O)NC(N)=O ZINC000160731958 169835626 /nfs/dbraw/zinc/83/56/26/169835626.db2.gz NEISPQCWXPYFRK-ZETCQYMHSA-N 0 3 217.269 -0.726 20 70 BBIDHN CCN(CCCO)[C@H](C)C(=O)NC(N)=O ZINC000160732072 388087082 /nfs/dbraw/zinc/08/70/82/388087082.db2.gz NEISPQCWXPYFRK-SSDOTTSWSA-N 0 3 217.269 -0.726 20 70 BBIDHN O=C([C@@H]1COCCN1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160743517 349316471 /nfs/dbraw/zinc/31/64/71/349316471.db2.gz NSKTZHFWHXMPFX-AXFHLTTASA-N 0 3 239.319 -0.672 20 70 BBIDHN CC(C(=O)NC(C)(C)CCO)S(C)(=O)=O ZINC000160768819 487591069 /nfs/dbraw/zinc/59/10/69/487591069.db2.gz KLXKSVBLSXYMQT-ZETCQYMHSA-N 0 3 237.321 -0.303 20 70 BBIDHN CC(C(=O)NC(C)(C)CCO)S(C)(=O)=O ZINC000160768951 388087621 /nfs/dbraw/zinc/08/76/21/388087621.db2.gz KLXKSVBLSXYMQT-SSDOTTSWSA-N 0 3 237.321 -0.303 20 70 BBIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@H](C)N ZINC000160799641 170245390 /nfs/dbraw/zinc/24/53/90/170245390.db2.gz RTCDIRTUWMEUBS-BQBZGAKWSA-N 0 3 202.254 -0.351 20 70 BBIDHN CCOC(=O)[C@H](C)CNC(=O)[C@H](C)N ZINC000160799765 170264824 /nfs/dbraw/zinc/26/48/24/170264824.db2.gz RTCDIRTUWMEUBS-RQJHMYQMSA-N 0 3 202.254 -0.351 20 70 BBIDHN CCOC(=O)[C@@H](C)CNC(=O)[C@@H](C)N ZINC000160800449 361328285 /nfs/dbraw/zinc/32/82/85/361328285.db2.gz RTCDIRTUWMEUBS-NKWVEPMBSA-N 0 3 202.254 -0.351 20 70 BBIDHN CCOC(=O)[C@H](C)CNC(=O)[C@@H](C)N ZINC000160800547 353273240 /nfs/dbraw/zinc/27/32/40/353273240.db2.gz RTCDIRTUWMEUBS-RNFRBKRXSA-N 0 3 202.254 -0.351 20 70 BBIDHN COC(=O)C(C)(C)CNC(=O)[C@H](C)N ZINC000160808597 388091207 /nfs/dbraw/zinc/09/12/07/388091207.db2.gz VWJDFYFIEIVCDX-LURJTMIESA-N 0 3 202.254 -0.351 20 70 BBIDHN COCCN(CCO)CCn1ccnc1 ZINC000160808707 174292710 /nfs/dbraw/zinc/29/27/10/174292710.db2.gz KYSUFBCWTSJJIB-UHFFFAOYSA-N 0 3 213.281 -0.176 20 70 BBIDHN COC(=O)C(C)(C)CNC(=O)[C@@H](C)N ZINC000160808889 349326820 /nfs/dbraw/zinc/32/68/20/349326820.db2.gz VWJDFYFIEIVCDX-ZCFIWIBFSA-N 0 3 202.254 -0.351 20 70 BBIDHN C[C@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160818986 386189904 /nfs/dbraw/zinc/18/99/04/386189904.db2.gz JWYIDFIHLLMLOV-NKWVEPMBSA-N 0 3 211.265 -0.787 20 70 BBIDHN C[C@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160819116 386190281 /nfs/dbraw/zinc/19/02/81/386190281.db2.gz JWYIDFIHLLMLOV-BQBZGAKWSA-N 0 3 211.265 -0.787 20 70 BBIDHN C[C@@H](N)C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC000160819768 386191039 /nfs/dbraw/zinc/19/10/39/386191039.db2.gz JWYIDFIHLLMLOV-RNFRBKRXSA-N 0 3 211.265 -0.787 20 70 BBIDHN C[C@@H](N)C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000160819924 175798824 /nfs/dbraw/zinc/79/88/24/175798824.db2.gz JWYIDFIHLLMLOV-RQJHMYQMSA-N 0 3 211.265 -0.787 20 70 BBIDHN CCCNS(=O)(=O)NCCNC1CC1 ZINC000160846002 488171513 /nfs/dbraw/zinc/17/15/13/488171513.db2.gz OSELJGDBHYGDCU-UHFFFAOYSA-N 0 3 221.326 -0.428 20 70 BBIDHN CC(C)NS(=O)(=O)NCCNC1CC1 ZINC000160846593 488172334 /nfs/dbraw/zinc/17/23/34/488172334.db2.gz ANFLAIWPTLADPE-UHFFFAOYSA-N 0 3 221.326 -0.429 20 70 BBIDHN CCCNS(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000160863852 169271344 /nfs/dbraw/zinc/27/13/44/169271344.db2.gz ZUWOOZQXKJLMHV-DTORHVGOSA-N 0 3 235.353 -0.087 20 70 BBIDHN CCCNS(=O)(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000160863941 169271352 /nfs/dbraw/zinc/27/13/52/169271352.db2.gz ZUWOOZQXKJLMHV-RKDXNWHRSA-N 0 3 235.353 -0.087 20 70 BBIDHN CCCNS(=O)(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000160864029 169271337 /nfs/dbraw/zinc/27/13/37/169271337.db2.gz ZUWOOZQXKJLMHV-IUCAKERBSA-N 0 3 235.353 -0.087 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000160864624 167125381 /nfs/dbraw/zinc/12/53/81/167125381.db2.gz AZZDSGKQTWULOU-DTORHVGOSA-N 0 3 235.353 -0.089 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000160864758 167126279 /nfs/dbraw/zinc/12/62/79/167126279.db2.gz AZZDSGKQTWULOU-IUCAKERBSA-N 0 3 235.353 -0.089 20 70 BBIDHN CC(C)NS(=O)(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000160864880 167125917 /nfs/dbraw/zinc/12/59/17/167125917.db2.gz AZZDSGKQTWULOU-RKDXNWHRSA-N 0 3 235.353 -0.089 20 70 BBIDHN CCCNS(=O)(=O)N1CCNCC1(C)C ZINC000160891566 488175383 /nfs/dbraw/zinc/17/53/83/488175383.db2.gz NQLAVJMVMALYHQ-UHFFFAOYSA-N 0 3 235.353 -0.085 20 70 BBIDHN CC(C)NS(=O)(=O)N1CCNCC1(C)C ZINC000160892024 488175316 /nfs/dbraw/zinc/17/53/16/488175316.db2.gz SEZWGAABHAQIHG-UHFFFAOYSA-N 0 3 235.353 -0.087 20 70 BBIDHN CO[C@@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000160944484 323139694 /nfs/dbraw/zinc/13/96/94/323139694.db2.gz XJCGFJIJIBJOEW-IUCAKERBSA-N 0 3 215.297 -0.877 20 70 BBIDHN CO[C@H](C)C(=O)N1CCN(C)C[C@@H]1CN ZINC000160944607 323139673 /nfs/dbraw/zinc/13/96/73/323139673.db2.gz XJCGFJIJIBJOEW-BDAKNGLRSA-N 0 3 215.297 -0.877 20 70 BBIDHN CCCNS(=O)(=O)NCCNCCOC ZINC000160957934 136226534 /nfs/dbraw/zinc/22/65/34/136226534.db2.gz PYVXGRAMWKSHCT-UHFFFAOYSA-N 0 3 239.341 -0.944 20 70 BBIDHN COCCNCCNS(=O)(=O)NC(C)C ZINC000160958395 174333005 /nfs/dbraw/zinc/33/30/05/174333005.db2.gz BJHAFYPTOVOKAW-UHFFFAOYSA-N 0 3 239.341 -0.945 20 70 BBIDHN C[C@H](CO)CN1CCN2C(=O)CC[C@@H]2C1 ZINC000160975970 538913753 /nfs/dbraw/zinc/91/37/53/538913753.db2.gz VDVREERHNXRFCP-VHSXEESVSA-N 0 3 212.293 -0.079 20 70 BBIDHN C[C@@H](CO)CN1CCN2C(=O)CC[C@@H]2C1 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