smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCN(c2ncccc2C(=O)N2CC[NH2+]CC2)CC1 ZINC001165032539 721868706 /nfs/dbraw/zinc/86/87/06/721868706.db2.gz XJUOSQPGXDHTKB-UHFFFAOYSA-N 2 2 315.421 0.435 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089734907 751543949 /nfs/dbraw/zinc/54/39/49/751543949.db2.gz DDRVBJQHOSOPEY-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001089734907 751543953 /nfs/dbraw/zinc/54/39/53/751543953.db2.gz DDRVBJQHOSOPEY-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001089734907 751543956 /nfs/dbraw/zinc/54/39/56/751543956.db2.gz DDRVBJQHOSOPEY-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001089734907 751543960 /nfs/dbraw/zinc/54/39/60/751543960.db2.gz DDRVBJQHOSOPEY-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898369 747019767 /nfs/dbraw/zinc/01/97/67/747019767.db2.gz NVVCXPOEMIFIIX-UHFFFAOYSA-N 2 2 318.421 0.739 20 30 DCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043391155 752213399 /nfs/dbraw/zinc/21/33/99/752213399.db2.gz JAXDVQBRMGKDCW-GULBITTBSA-N 2 2 305.422 0.568 20 30 DCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043391155 752213405 /nfs/dbraw/zinc/21/34/05/752213405.db2.gz JAXDVQBRMGKDCW-GULBITTBSA-N 2 2 305.422 0.568 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1O ZINC001077159189 750235783 /nfs/dbraw/zinc/23/57/83/750235783.db2.gz SMWOPWSSVPAWJX-OWCLPIDISA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1O ZINC001077159189 750235785 /nfs/dbraw/zinc/23/57/85/750235785.db2.gz SMWOPWSSVPAWJX-OWCLPIDISA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@H]1O ZINC001077159189 750235789 /nfs/dbraw/zinc/23/57/89/750235789.db2.gz SMWOPWSSVPAWJX-OWCLPIDISA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@H]1O ZINC001077159189 750235790 /nfs/dbraw/zinc/23/57/90/750235790.db2.gz SMWOPWSSVPAWJX-OWCLPIDISA-N 2 2 305.422 0.212 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233422 750287128 /nfs/dbraw/zinc/28/71/28/750287128.db2.gz VVLONMHRKAGJTN-HUUCEWRRSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233422 750287131 /nfs/dbraw/zinc/28/71/31/750287131.db2.gz VVLONMHRKAGJTN-HUUCEWRRSA-N 2 2 300.362 0.914 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251895 750297026 /nfs/dbraw/zinc/29/70/26/750297026.db2.gz UJRIQRBMUPARKR-NUEKZKHPSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251895 750297031 /nfs/dbraw/zinc/29/70/31/750297031.db2.gz UJRIQRBMUPARKR-NUEKZKHPSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275203 750310659 /nfs/dbraw/zinc/31/06/59/750310659.db2.gz WCKGSRPBSKEINK-HUUCEWRRSA-N 2 2 322.409 0.477 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077275203 750310666 /nfs/dbraw/zinc/31/06/66/750310666.db2.gz WCKGSRPBSKEINK-HUUCEWRRSA-N 2 2 322.409 0.477 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570978 750311637 /nfs/dbraw/zinc/31/16/37/750311637.db2.gz ZRNYULGYRAQPBK-CABCVRRESA-N 2 2 300.362 0.914 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570978 750311642 /nfs/dbraw/zinc/31/16/42/750311642.db2.gz ZRNYULGYRAQPBK-CABCVRRESA-N 2 2 300.362 0.914 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583481 750414745 /nfs/dbraw/zinc/41/47/45/750414745.db2.gz IFZRXUROLVHEDI-MCIONIFRSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583481 750414750 /nfs/dbraw/zinc/41/47/50/750414750.db2.gz IFZRXUROLVHEDI-MCIONIFRSA-N 2 2 304.394 0.183 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223510 751049541 /nfs/dbraw/zinc/04/95/41/751049541.db2.gz HZYOQQJCUZPAHO-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223510 751049547 /nfs/dbraw/zinc/04/95/47/751049547.db2.gz HZYOQQJCUZPAHO-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705241 751238112 /nfs/dbraw/zinc/23/81/12/751238112.db2.gz YKJGBMZQLWOGEU-ZIAGYGMSSA-N 2 2 306.410 0.839 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046924954 751317423 /nfs/dbraw/zinc/31/74/23/751317423.db2.gz GUIBGSPOSYSQJZ-STQMWFEESA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046924954 751317429 /nfs/dbraw/zinc/31/74/29/751317429.db2.gz GUIBGSPOSYSQJZ-STQMWFEESA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924954 751317437 /nfs/dbraw/zinc/31/74/37/751317437.db2.gz GUIBGSPOSYSQJZ-STQMWFEESA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924954 751317445 /nfs/dbraw/zinc/31/74/45/751317445.db2.gz GUIBGSPOSYSQJZ-STQMWFEESA-N 2 2 315.364 0.024 20 30 DCEDLP C#CCC[NH+]1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001044030803 752525448 /nfs/dbraw/zinc/52/54/48/752525448.db2.gz QOAWBPZONGKEPN-UHFFFAOYSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001045925806 753372444 /nfs/dbraw/zinc/37/24/44/753372444.db2.gz UWROTZNWDQNHCF-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925806 753372447 /nfs/dbraw/zinc/37/24/47/753372447.db2.gz UWROTZNWDQNHCF-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925806 753372449 /nfs/dbraw/zinc/37/24/49/753372449.db2.gz UWROTZNWDQNHCF-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046064492 753459001 /nfs/dbraw/zinc/45/90/01/753459001.db2.gz OLKPKWBGPQZOSZ-HOTGVXAUSA-N 2 2 319.453 0.213 20 30 DCEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001046064492 753459005 /nfs/dbraw/zinc/45/90/05/753459005.db2.gz OLKPKWBGPQZOSZ-HOTGVXAUSA-N 2 2 319.453 0.213 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439574 754283772 /nfs/dbraw/zinc/28/37/72/754283772.db2.gz LRQDCTPIBDFLPM-ULQDDVLXSA-N 2 2 321.465 0.634 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439574 754283778 /nfs/dbraw/zinc/28/37/78/754283778.db2.gz LRQDCTPIBDFLPM-ULQDDVLXSA-N 2 2 321.465 0.634 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439574 754283784 /nfs/dbraw/zinc/28/37/84/754283784.db2.gz LRQDCTPIBDFLPM-ULQDDVLXSA-N 2 2 321.465 0.634 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439574 754283790 /nfs/dbraw/zinc/28/37/90/754283790.db2.gz LRQDCTPIBDFLPM-ULQDDVLXSA-N 2 2 321.465 0.634 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001047596078 754421463 /nfs/dbraw/zinc/42/14/63/754421463.db2.gz YRDNELBGBHPSLH-ULQDDVLXSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001047596078 754421465 /nfs/dbraw/zinc/42/14/65/754421465.db2.gz YRDNELBGBHPSLH-ULQDDVLXSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001047596078 754421467 /nfs/dbraw/zinc/42/14/67/754421467.db2.gz YRDNELBGBHPSLH-ULQDDVLXSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001047596078 754421469 /nfs/dbraw/zinc/42/14/69/754421469.db2.gz YRDNELBGBHPSLH-ULQDDVLXSA-N 2 2 321.465 0.778 20 30 DCEDLP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049391475 755247982 /nfs/dbraw/zinc/24/79/82/755247982.db2.gz LSTWLAKMLLXAMA-OAGGEKHMSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049391475 755247984 /nfs/dbraw/zinc/24/79/84/755247984.db2.gz LSTWLAKMLLXAMA-OAGGEKHMSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391475 755247986 /nfs/dbraw/zinc/24/79/86/755247986.db2.gz LSTWLAKMLLXAMA-OAGGEKHMSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391475 755247987 /nfs/dbraw/zinc/24/79/87/755247987.db2.gz LSTWLAKMLLXAMA-OAGGEKHMSA-N 2 2 307.438 0.958 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090354511 755659254 /nfs/dbraw/zinc/65/92/54/755659254.db2.gz KSXBGJYQAAWICC-LSDHHAIUSA-N 2 2 318.421 0.501 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090354511 755659257 /nfs/dbraw/zinc/65/92/57/755659257.db2.gz KSXBGJYQAAWICC-LSDHHAIUSA-N 2 2 318.421 0.501 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C13CC[NH+](CC1)C3)O2 ZINC001053686772 756147362 /nfs/dbraw/zinc/14/73/62/756147362.db2.gz ZHCVWKAYKKRRBL-AWEZNQCLSA-N 2 2 305.422 0.618 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)CO2 ZINC001053947284 756292267 /nfs/dbraw/zinc/29/22/67/756292267.db2.gz PGBWVDPKOJHLKA-MRXNPFEDSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867502 756826381 /nfs/dbraw/zinc/82/63/81/756826381.db2.gz VYZHNMJHPMBPTM-NUEKZKHPSA-N 2 2 318.421 0.837 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867502 756826388 /nfs/dbraw/zinc/82/63/88/756826388.db2.gz VYZHNMJHPMBPTM-NUEKZKHPSA-N 2 2 318.421 0.837 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884496 756836410 /nfs/dbraw/zinc/83/64/10/756836410.db2.gz ARDNFFYMLNHSOY-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884496 756836416 /nfs/dbraw/zinc/83/64/16/756836416.db2.gz ARDNFFYMLNHSOY-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884496 756836422 /nfs/dbraw/zinc/83/64/22/756836422.db2.gz ARDNFFYMLNHSOY-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884496 756836428 /nfs/dbraw/zinc/83/64/28/756836428.db2.gz ARDNFFYMLNHSOY-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081981128 756892611 /nfs/dbraw/zinc/89/26/11/756892611.db2.gz VAVXTSRIQZHHTF-OAGGEKHMSA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081981128 756892617 /nfs/dbraw/zinc/89/26/17/756892617.db2.gz VAVXTSRIQZHHTF-OAGGEKHMSA-N 2 2 305.422 0.309 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082019552 756902315 /nfs/dbraw/zinc/90/23/15/756902315.db2.gz DJHFIPIZUGDHLW-HUUCEWRRSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082019552 756902318 /nfs/dbraw/zinc/90/23/18/756902318.db2.gz DJHFIPIZUGDHLW-HUUCEWRRSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090377695 757234209 /nfs/dbraw/zinc/23/42/09/757234209.db2.gz LULHCCSGCKMBEZ-JSGCOSHPSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090377695 757234212 /nfs/dbraw/zinc/23/42/12/757234212.db2.gz LULHCCSGCKMBEZ-JSGCOSHPSA-N 2 2 308.382 0.087 20 30 DCEDLP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083034773 757440735 /nfs/dbraw/zinc/44/07/35/757440735.db2.gz RQOIATPLKXWBAD-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083034773 757440741 /nfs/dbraw/zinc/44/07/41/757440741.db2.gz RQOIATPLKXWBAD-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034773 757440750 /nfs/dbraw/zinc/44/07/50/757440750.db2.gz RQOIATPLKXWBAD-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034773 757440755 /nfs/dbraw/zinc/44/07/55/757440755.db2.gz RQOIATPLKXWBAD-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036181 759131776 /nfs/dbraw/zinc/13/17/76/759131776.db2.gz HDLVFJONAHKWJO-SJORKVTESA-N 2 2 320.481 0.731 20 30 DCEDLP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118088 759191001 /nfs/dbraw/zinc/19/10/01/759191001.db2.gz KTWBCZFPTCRWNE-INIZCTEOSA-N 2 2 306.454 0.487 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001052118088 759191008 /nfs/dbraw/zinc/19/10/08/759191008.db2.gz KTWBCZFPTCRWNE-INIZCTEOSA-N 2 2 306.454 0.487 20 30 DCEDLP N#Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1Br ZINC001169075320 760575004 /nfs/dbraw/zinc/57/50/04/760575004.db2.gz QMBZDUIKFXWONT-MRVPVSSYSA-N 2 2 322.166 0.764 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCC[NH+](C)C)CC2=O)C1 ZINC001108588073 760933615 /nfs/dbraw/zinc/93/36/15/760933615.db2.gz ZVLVANGPHQDILW-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1n1ccnn1 ZINC001070207913 761136586 /nfs/dbraw/zinc/13/65/86/761136586.db2.gz VGEHHMCTELOXRH-KGLIPLIRSA-N 2 2 315.381 0.162 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070207913 761136588 /nfs/dbraw/zinc/13/65/88/761136588.db2.gz VGEHHMCTELOXRH-KGLIPLIRSA-N 2 2 315.381 0.162 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090426645 761422224 /nfs/dbraw/zinc/42/22/24/761422224.db2.gz FKCIOBAWLUTFQF-ZFWWWQNUSA-N 2 2 312.373 0.523 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090426645 761422228 /nfs/dbraw/zinc/42/22/28/761422228.db2.gz FKCIOBAWLUTFQF-ZFWWWQNUSA-N 2 2 312.373 0.523 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216297 761712845 /nfs/dbraw/zinc/71/28/45/761712845.db2.gz OMHANMUJWJQFOZ-XJKSGUPXSA-N 2 2 302.378 0.277 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216297 761712852 /nfs/dbraw/zinc/71/28/52/761712852.db2.gz OMHANMUJWJQFOZ-XJKSGUPXSA-N 2 2 302.378 0.277 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918434 763856435 /nfs/dbraw/zinc/85/64/35/763856435.db2.gz VUCBTDGTEMLZAG-UHFFFAOYSA-N 2 2 304.394 0.395 20 30 DCEDLP C=CCOCC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100920871 763857218 /nfs/dbraw/zinc/85/72/18/763857218.db2.gz FTPBFVWSSHVTMF-UHFFFAOYSA-N 2 2 306.410 0.948 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134521692 765550142 /nfs/dbraw/zinc/55/01/42/765550142.db2.gz NIPLOXGLWHPUBP-CHWSQXEVSA-N 2 2 307.398 0.231 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135131923 765807861 /nfs/dbraw/zinc/80/78/61/765807861.db2.gz MUGYDKBKRAIFNY-UONOGXRCSA-N 2 2 321.425 0.448 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615017 767807673 /nfs/dbraw/zinc/80/76/73/767807673.db2.gz NIWMMTAHIPPTLS-UHFFFAOYSA-N 2 2 315.377 0.789 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713746 769171147 /nfs/dbraw/zinc/17/11/47/769171147.db2.gz HBMISGGAGPMXPP-ZFWWWQNUSA-N 2 2 320.437 0.058 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713746 769171150 /nfs/dbraw/zinc/17/11/50/769171150.db2.gz HBMISGGAGPMXPP-ZFWWWQNUSA-N 2 2 320.437 0.058 20 30 DCEDLP CCCCCCCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287231 770205960 /nfs/dbraw/zinc/20/59/60/770205960.db2.gz WOQPBGPJPJLXGY-UHFFFAOYSA-N 2 2 313.490 0.751 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177117632 770324725 /nfs/dbraw/zinc/32/47/25/770324725.db2.gz ARBPQYPYRFVMCE-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177117632 770324740 /nfs/dbraw/zinc/32/47/40/770324740.db2.gz ARBPQYPYRFVMCE-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180469738 771124426 /nfs/dbraw/zinc/12/44/26/771124426.db2.gz DWKLGESOBSDBRJ-UHFFFAOYSA-N 2 2 321.425 0.452 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183732012 771695015 /nfs/dbraw/zinc/69/50/15/771695015.db2.gz XYGWLPHXILRHNE-LSDHHAIUSA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765569 771698602 /nfs/dbraw/zinc/69/86/02/771698602.db2.gz VTDKKYLKYAZGTE-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183773057 771699350 /nfs/dbraw/zinc/69/93/50/771699350.db2.gz NVGRQDFQTPQLBN-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP N#Cc1c[nH]c2nc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)ncc12 ZINC001158261333 771748592 /nfs/dbraw/zinc/74/85/92/771748592.db2.gz MFXAECBYKWXRTR-GFCCVEGCSA-N 2 2 311.393 0.831 20 30 DCEDLP N#Cc1c[nH]c2nc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)ncc12 ZINC001158261333 771748598 /nfs/dbraw/zinc/74/85/98/771748598.db2.gz MFXAECBYKWXRTR-GFCCVEGCSA-N 2 2 311.393 0.831 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001185109068 771867309 /nfs/dbraw/zinc/86/73/09/771867309.db2.gz AEFAHXPGMOHZFE-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001185109068 771867316 /nfs/dbraw/zinc/86/73/16/771867316.db2.gz AEFAHXPGMOHZFE-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001185110458 771867788 /nfs/dbraw/zinc/86/77/88/771867788.db2.gz VWWXMIHRDKAKMZ-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001185110458 771867792 /nfs/dbraw/zinc/86/77/92/771867792.db2.gz VWWXMIHRDKAKMZ-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP N#CCc1cc[nH+]c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001165341260 772724475 /nfs/dbraw/zinc/72/44/75/772724475.db2.gz JKSRQEYADSNVET-INIZCTEOSA-N 2 2 302.378 0.733 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001165835290 772766058 /nfs/dbraw/zinc/76/60/58/772766058.db2.gz IAQPWKMHKLCXTC-CQSZACIVSA-N 2 2 300.406 0.955 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166961568 772890072 /nfs/dbraw/zinc/89/00/72/772890072.db2.gz RXLPYSUCVIGZOS-ZIAGYGMSSA-N 2 2 306.410 0.822 20 30 DCEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462125 773066856 /nfs/dbraw/zinc/06/68/56/773066856.db2.gz LDOHLBNGQHWIJQ-CQSZACIVSA-N 2 2 306.410 0.698 20 30 DCEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462125 773066858 /nfs/dbraw/zinc/06/68/58/773066858.db2.gz LDOHLBNGQHWIJQ-CQSZACIVSA-N 2 2 306.410 0.698 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149585 773339679 /nfs/dbraw/zinc/33/96/79/773339679.db2.gz UVBZFQOTRVJJBA-RBSFLKMASA-N 2 2 306.410 0.789 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149585 773339686 /nfs/dbraw/zinc/33/96/86/773339686.db2.gz UVBZFQOTRVJJBA-RBSFLKMASA-N 2 2 306.410 0.789 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300203 773428050 /nfs/dbraw/zinc/42/80/50/773428050.db2.gz XBVBBJRBZALDMW-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300203 773428051 /nfs/dbraw/zinc/42/80/51/773428051.db2.gz XBVBBJRBZALDMW-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196154428 773547527 /nfs/dbraw/zinc/54/75/27/773547527.db2.gz GEUBRVRLJXBCTF-UHFFFAOYSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196154428 773547531 /nfs/dbraw/zinc/54/75/31/773547531.db2.gz GEUBRVRLJXBCTF-UHFFFAOYSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001209418439 773604215 /nfs/dbraw/zinc/60/42/15/773604215.db2.gz CNISCJKCURYGQY-ZFWWWQNUSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001209418439 773604219 /nfs/dbraw/zinc/60/42/19/773604219.db2.gz CNISCJKCURYGQY-ZFWWWQNUSA-N 2 2 319.409 0.224 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211187448 773779921 /nfs/dbraw/zinc/77/99/21/773779921.db2.gz KKADTHDNWYQDGK-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198105290 773862235 /nfs/dbraw/zinc/86/22/35/773862235.db2.gz FSKUNWSWYLIBHL-UHFFFAOYSA-N 2 2 319.409 0.028 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198105290 773862238 /nfs/dbraw/zinc/86/22/38/773862238.db2.gz FSKUNWSWYLIBHL-UHFFFAOYSA-N 2 2 319.409 0.028 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199385460 774101834 /nfs/dbraw/zinc/10/18/34/774101834.db2.gz VGYSAUJJGZQXAC-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199385460 774101836 /nfs/dbraw/zinc/10/18/36/774101836.db2.gz VGYSAUJJGZQXAC-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199385460 774101838 /nfs/dbraw/zinc/10/18/38/774101838.db2.gz VGYSAUJJGZQXAC-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199385460 774101842 /nfs/dbraw/zinc/10/18/42/774101842.db2.gz VGYSAUJJGZQXAC-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646715 774272006 /nfs/dbraw/zinc/27/20/06/774272006.db2.gz ZMDDWRKTUCOOSJ-JKSUJKDBSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646715 774272010 /nfs/dbraw/zinc/27/20/10/774272010.db2.gz ZMDDWRKTUCOOSJ-JKSUJKDBSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646715 774272012 /nfs/dbraw/zinc/27/20/12/774272012.db2.gz ZMDDWRKTUCOOSJ-JKSUJKDBSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646715 774272016 /nfs/dbraw/zinc/27/20/16/774272016.db2.gz ZMDDWRKTUCOOSJ-JKSUJKDBSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200368002 774330828 /nfs/dbraw/zinc/33/08/28/774330828.db2.gz UYMHKUVATWGMDT-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200727763 774393331 /nfs/dbraw/zinc/39/33/31/774393331.db2.gz CWSPSFDVIMEJDM-MGPQQGTHSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200727763 774393339 /nfs/dbraw/zinc/39/33/39/774393339.db2.gz CWSPSFDVIMEJDM-MGPQQGTHSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC001200840986 774415197 /nfs/dbraw/zinc/41/51/97/774415197.db2.gz LNBIXDJQQBIQOE-HOCLYGCPSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201612477 774532339 /nfs/dbraw/zinc/53/23/39/774532339.db2.gz OLUPYXAWBLJFHL-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201612477 774532342 /nfs/dbraw/zinc/53/23/42/774532342.db2.gz OLUPYXAWBLJFHL-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCC)C[C@@H]1O ZINC001219821166 774620182 /nfs/dbraw/zinc/62/01/82/774620182.db2.gz CSEHEPYCLFOYIU-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@@H]1O ZINC001219821166 774620184 /nfs/dbraw/zinc/62/01/84/774620184.db2.gz CSEHEPYCLFOYIU-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC)C[C@@H]1O ZINC001219821166 774620186 /nfs/dbraw/zinc/62/01/86/774620186.db2.gz CSEHEPYCLFOYIU-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC)C[C@@H]1O ZINC001219821166 774620188 /nfs/dbraw/zinc/62/01/88/774620188.db2.gz CSEHEPYCLFOYIU-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923204 774647322 /nfs/dbraw/zinc/64/73/22/774647322.db2.gz WZQFFHZCZGSGOA-CVEARBPZSA-N 2 2 321.465 0.824 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923204 774647324 /nfs/dbraw/zinc/64/73/24/774647324.db2.gz WZQFFHZCZGSGOA-CVEARBPZSA-N 2 2 321.465 0.824 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923204 774647326 /nfs/dbraw/zinc/64/73/26/774647326.db2.gz WZQFFHZCZGSGOA-CVEARBPZSA-N 2 2 321.465 0.824 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219923204 774647330 /nfs/dbraw/zinc/64/73/30/774647330.db2.gz WZQFFHZCZGSGOA-CVEARBPZSA-N 2 2 321.465 0.824 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372532 774784215 /nfs/dbraw/zinc/78/42/15/774784215.db2.gz ALHKUQZBPOTMFM-SJORKVTESA-N 2 2 317.433 0.508 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372532 774784220 /nfs/dbraw/zinc/78/42/20/774784220.db2.gz ALHKUQZBPOTMFM-SJORKVTESA-N 2 2 317.433 0.508 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372532 774784222 /nfs/dbraw/zinc/78/42/22/774784222.db2.gz ALHKUQZBPOTMFM-SJORKVTESA-N 2 2 317.433 0.508 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372532 774784224 /nfs/dbraw/zinc/78/42/24/774784224.db2.gz ALHKUQZBPOTMFM-SJORKVTESA-N 2 2 317.433 0.508 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757436 774910085 /nfs/dbraw/zinc/91/00/85/774910085.db2.gz FVDJJHOPPNMGED-CFVMTHIKSA-N 2 2 306.410 0.479 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757436 774910090 /nfs/dbraw/zinc/91/00/90/774910090.db2.gz FVDJJHOPPNMGED-CFVMTHIKSA-N 2 2 306.410 0.479 20 30 DCEDLP COCC#CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225278456 775661326 /nfs/dbraw/zinc/66/13/26/775661326.db2.gz RMGVYCVAFZVZIB-UHFFFAOYSA-N 2 2 318.421 0.739 20 30 DCEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001278105972 945139914 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PNCBPTTWZLYOQG-ZBFHGGJFSA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1cnccn1 ZINC001480875323 939129099 /nfs/dbraw/zinc/12/90/99/939129099.db2.gz PNCBPTTWZLYOQG-ZBFHGGJFSA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cnccn1 ZINC001480875323 939129101 /nfs/dbraw/zinc/12/91/01/939129101.db2.gz PNCBPTTWZLYOQG-ZBFHGGJFSA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cnccn1 ZINC001480875323 939129104 /nfs/dbraw/zinc/12/91/04/939129104.db2.gz PNCBPTTWZLYOQG-ZBFHGGJFSA-N 2 2 315.421 0.683 20 30 DCEDLP COCC#CC[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001266699846 939214257 /nfs/dbraw/zinc/21/42/57/939214257.db2.gz QLWQGWPFFWPGPR-UHFFFAOYSA-N 2 2 314.389 0.954 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)no1 ZINC001481240934 939661777 /nfs/dbraw/zinc/66/17/77/939661777.db2.gz DHMCLIPJMYPJHB-HNNXBMFYSA-N 2 2 304.394 0.629 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)no1 ZINC001481240934 939661778 /nfs/dbraw/zinc/66/17/78/939661778.db2.gz DHMCLIPJMYPJHB-HNNXBMFYSA-N 2 2 304.394 0.629 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001318224879 945296325 /nfs/dbraw/zinc/29/63/25/945296325.db2.gz RLNJAQOEYPFEQY-HRCADAONSA-N 2 2 307.438 0.508 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001318224879 945296331 /nfs/dbraw/zinc/29/63/31/945296331.db2.gz RLNJAQOEYPFEQY-HRCADAONSA-N 2 2 307.438 0.508 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268460171 940149441 /nfs/dbraw/zinc/14/94/41/940149441.db2.gz QZIQHEKAKGLYTQ-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269622614 940744281 /nfs/dbraw/zinc/74/42/81/940744281.db2.gz MCDZIQUVIICTTQ-DYVFJYSZSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001270245034 940864376 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C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)CO2 ZINC001484801011 943574116 /nfs/dbraw/zinc/57/41/16/943574116.db2.gz KAMYRZDYIGEZTE-CQSZACIVSA-N 2 2 307.438 0.864 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001491063835 943729612 /nfs/dbraw/zinc/72/96/12/943729612.db2.gz SKDNIHQULNNKDO-MCIONIFRSA-N 2 2 304.394 0.475 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001491063835 943729617 /nfs/dbraw/zinc/72/96/17/943729617.db2.gz SKDNIHQULNNKDO-MCIONIFRSA-N 2 2 304.394 0.475 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126335 943773996 /nfs/dbraw/zinc/77/39/96/943773996.db2.gz NDHVSQURSGPXPD-AWEZNQCLSA-N 2 2 306.410 0.983 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126335 943774001 /nfs/dbraw/zinc/77/40/01/943774001.db2.gz NDHVSQURSGPXPD-AWEZNQCLSA-N 2 2 306.410 0.983 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001485394231 943908120 /nfs/dbraw/zinc/90/81/20/943908120.db2.gz GDXIDYLDEONADH-OAHLLOKOSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001485394231 943908126 /nfs/dbraw/zinc/90/81/26/943908126.db2.gz GDXIDYLDEONADH-OAHLLOKOSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001485666032 944067347 /nfs/dbraw/zinc/06/73/47/944067347.db2.gz WBKPTKLKJFOMRX-UHFFFAOYSA-N 2 2 316.405 0.457 20 30 DCEDLP COCC#CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001485666032 944067353 /nfs/dbraw/zinc/06/73/53/944067353.db2.gz WBKPTKLKJFOMRX-UHFFFAOYSA-N 2 2 316.405 0.457 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485817574 944171072 /nfs/dbraw/zinc/17/10/72/944171072.db2.gz TZQWXILNCPNBMO-GJZGRUSLSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001272808774 944239253 /nfs/dbraw/zinc/23/92/53/944239253.db2.gz SLKOGEABKBKWDR-KRWDZBQOSA-N 2 2 314.389 0.178 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001272808774 944239259 /nfs/dbraw/zinc/23/92/59/944239259.db2.gz SLKOGEABKBKWDR-KRWDZBQOSA-N 2 2 314.389 0.178 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001276739533 944281709 /nfs/dbraw/zinc/28/17/09/944281709.db2.gz VXPJITUYDNTDNH-PHZGNYQRSA-N 2 2 300.406 0.670 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001276739533 944281715 /nfs/dbraw/zinc/28/17/15/944281715.db2.gz VXPJITUYDNTDNH-PHZGNYQRSA-N 2 2 300.406 0.670 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001486215041 944655941 /nfs/dbraw/zinc/65/59/41/944655941.db2.gz IATQCQNUSBTSRO-HUUCEWRRSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001486350962 944805202 /nfs/dbraw/zinc/80/52/02/944805202.db2.gz NPSNHGMCKVVUTP-HUUCEWRRSA-N 2 2 306.410 0.609 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001486350962 944805208 /nfs/dbraw/zinc/80/52/08/944805208.db2.gz NPSNHGMCKVVUTP-HUUCEWRRSA-N 2 2 306.410 0.609 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001486479393 944915664 /nfs/dbraw/zinc/91/56/64/944915664.db2.gz LSLUAZBNBJAZSA-PNESKVBLSA-N 2 2 319.409 0.222 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278443553 945395646 /nfs/dbraw/zinc/39/56/46/945395646.db2.gz BXWCXBUVUKHCBP-MRXNPFEDSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278443553 945395655 /nfs/dbraw/zinc/39/56/55/945395655.db2.gz BXWCXBUVUKHCBP-MRXNPFEDSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001320651869 945963889 /nfs/dbraw/zinc/96/38/89/945963889.db2.gz HPPWGGBEJPIOOB-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP CC[C@H](CC#N)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170877 946474380 /nfs/dbraw/zinc/47/43/80/946474380.db2.gz ZCMJLZZMSBWUHT-BZUAXINKSA-N 2 2 322.453 0.790 20 30 DCEDLP CC[C@H](CC#N)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170877 946474386 /nfs/dbraw/zinc/47/43/86/946474386.db2.gz ZCMJLZZMSBWUHT-BZUAXINKSA-N 2 2 322.453 0.790 20 30 DCEDLP CC[C@H](CC#N)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170877 946474391 /nfs/dbraw/zinc/47/43/91/946474391.db2.gz ZCMJLZZMSBWUHT-BZUAXINKSA-N 2 2 322.453 0.790 20 30 DCEDLP CC[C@H](CC#N)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170877 946474402 /nfs/dbraw/zinc/47/44/02/946474402.db2.gz ZCMJLZZMSBWUHT-BZUAXINKSA-N 2 2 322.453 0.790 20 30 DCEDLP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CCOC ZINC001279056376 946774991 /nfs/dbraw/zinc/77/49/91/946774991.db2.gz ZVVUSNQBFNDXER-INIZCTEOSA-N 2 2 309.454 0.949 20 30 DCEDLP CC#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CCOC ZINC001279056376 946774996 /nfs/dbraw/zinc/77/49/96/946774996.db2.gz ZVVUSNQBFNDXER-INIZCTEOSA-N 2 2 309.454 0.949 20 30 DCEDLP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CCOC ZINC001279056376 946775018 /nfs/dbraw/zinc/77/50/18/946775018.db2.gz ZVVUSNQBFNDXER-INIZCTEOSA-N 2 2 309.454 0.949 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC001262041068 947537628 /nfs/dbraw/zinc/53/76/28/947537628.db2.gz LAVPLJPTXXWGGF-HZPDHXFCSA-N 2 2 302.422 0.481 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001262041068 947537633 /nfs/dbraw/zinc/53/76/33/947537633.db2.gz LAVPLJPTXXWGGF-HZPDHXFCSA-N 2 2 302.422 0.481 20 30 DCEDLP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264635341 949039994 /nfs/dbraw/zinc/03/99/94/949039994.db2.gz ZVASYPMFJZOQTK-HNNXBMFYSA-N 2 2 306.410 0.814 20 30 DCEDLP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264635341 949040015 /nfs/dbraw/zinc/04/00/15/949040015.db2.gz ZVASYPMFJZOQTK-HNNXBMFYSA-N 2 2 306.410 0.814 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224297 949462871 /nfs/dbraw/zinc/46/28/71/949462871.db2.gz ABSWYAFEPDROBY-HZPDHXFCSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224297 949462884 /nfs/dbraw/zinc/46/28/84/949462884.db2.gz ABSWYAFEPDROBY-HZPDHXFCSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265224297 949462903 /nfs/dbraw/zinc/46/29/03/949462903.db2.gz ABSWYAFEPDROBY-HZPDHXFCSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265224297 949462922 /nfs/dbraw/zinc/46/29/22/949462922.db2.gz ABSWYAFEPDROBY-HZPDHXFCSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265624207 949825797 /nfs/dbraw/zinc/82/57/97/949825797.db2.gz NQATUOPQPJIBNN-RRFJBIMHSA-N 2 2 300.406 0.985 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001280521896 950919178 /nfs/dbraw/zinc/91/91/78/950919178.db2.gz DVXJVYURMYSODL-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001280521896 950919195 /nfs/dbraw/zinc/91/91/95/950919195.db2.gz DVXJVYURMYSODL-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001490685029 950995532 /nfs/dbraw/zinc/99/55/32/950995532.db2.gz WSUPZIAUBKYZLY-ZBFHGGJFSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001274615631 951742431 /nfs/dbraw/zinc/74/24/31/951742431.db2.gz CNPDIOTWEMHCLM-QLFBSQMISA-N 2 2 317.380 0.059 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001274615631 951742438 /nfs/dbraw/zinc/74/24/38/951742438.db2.gz CNPDIOTWEMHCLM-QLFBSQMISA-N 2 2 317.380 0.059 20 30 DCEDLP C=C[C@](C)(O)C[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274617276 951744972 /nfs/dbraw/zinc/74/49/72/951744972.db2.gz WTVOQKLPRAZDPP-DLBZAZTESA-N 2 2 318.421 0.924 20 30 DCEDLP C=C[C@](C)(O)C[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274617276 951744976 /nfs/dbraw/zinc/74/49/76/951744976.db2.gz WTVOQKLPRAZDPP-DLBZAZTESA-N 2 2 318.421 0.924 20 30 DCEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274656348 951768639 /nfs/dbraw/zinc/76/86/39/951768639.db2.gz OWZFMLIJOIRCRO-ARFHVFGLSA-N 2 2 309.454 0.940 20 30 DCEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274656348 951768644 /nfs/dbraw/zinc/76/86/44/951768644.db2.gz OWZFMLIJOIRCRO-ARFHVFGLSA-N 2 2 309.454 0.940 20 30 DCEDLP C=C(C)CC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001274941035 951896985 /nfs/dbraw/zinc/89/69/85/951896985.db2.gz HJWFUUDLSXIUAQ-UHFFFAOYSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001276010723 952620215 /nfs/dbraw/zinc/62/02/15/952620215.db2.gz JKLVZTCUQIYLHM-UONOGXRCSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001276010723 952620217 /nfs/dbraw/zinc/62/02/17/952620217.db2.gz JKLVZTCUQIYLHM-UONOGXRCSA-N 2 2 319.409 0.107 20 30 DCEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001283816526 954630189 /nfs/dbraw/zinc/63/01/89/954630189.db2.gz PUVIAUCEGWQQCT-OAHLLOKOSA-N 2 2 314.389 0.275 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1OCC ZINC001316688978 960036780 /nfs/dbraw/zinc/03/67/80/960036780.db2.gz BDISFJMOJVSLGB-HUUCEWRRSA-N 2 2 306.410 0.912 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379454872 962959968 /nfs/dbraw/zinc/95/99/68/962959968.db2.gz ZQPSBDULDBLMBI-SECBINFHSA-N 2 2 301.188 0.955 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001382256209 967125840 /nfs/dbraw/zinc/12/58/40/967125840.db2.gz RHSQGZRYVNVQEL-CQSZACIVSA-N 2 2 313.361 0.091 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001382435854 967373627 /nfs/dbraw/zinc/37/36/27/967373627.db2.gz RUTMHFHGRINSFJ-GFCCVEGCSA-N 2 2 300.790 0.124 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001382475614 967424999 /nfs/dbraw/zinc/42/49/99/967424999.db2.gz BPJNDQTWDKXDLI-OLZOCXBDSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001382475614 967425004 /nfs/dbraw/zinc/42/50/04/967425004.db2.gz BPJNDQTWDKXDLI-OLZOCXBDSA-N 2 2 305.850 0.830 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001502473506 1015939698 /nfs/dbraw/zinc/93/96/98/1015939698.db2.gz QTAGSTWZXOJDKM-AWEZNQCLSA-N 2 2 304.394 0.809 20 30 DCEDLP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC001573490774 1163449770 /nfs/dbraw/zinc/44/97/70/1163449770.db2.gz DCUMYHYYMMWPHN-HNNXBMFYSA-N 2 2 307.442 0.102 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445377629 1011705432 /nfs/dbraw/zinc/70/54/32/1011705432.db2.gz YRWGOXHVOXQSJR-GHMZBOCLSA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445377629 1011705440 /nfs/dbraw/zinc/70/54/40/1011705440.db2.gz YRWGOXHVOXQSJR-GHMZBOCLSA-N 2 2 320.231 0.320 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737495 1017492096 /nfs/dbraw/zinc/49/20/96/1017492096.db2.gz XZTGGTGBVSSIGD-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737495 1017492100 /nfs/dbraw/zinc/49/21/00/1017492100.db2.gz XZTGGTGBVSSIGD-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506737495 1017492109 /nfs/dbraw/zinc/49/21/09/1017492109.db2.gz XZTGGTGBVSSIGD-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506737495 1017492116 /nfs/dbraw/zinc/49/21/16/1017492116.db2.gz XZTGGTGBVSSIGD-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001506859427 1017621879 /nfs/dbraw/zinc/62/18/79/1017621879.db2.gz WIHYRLKYKDOGFE-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001506887530 1017642974 /nfs/dbraw/zinc/64/29/74/1017642974.db2.gz MYDJEMFJADGOFW-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cscn1 ZINC001497831457 1018455566 /nfs/dbraw/zinc/45/55/66/1018455566.db2.gz LZNVQEMNHCMFIB-OCCSQVGLSA-N 2 2 306.435 0.835 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cscn1 ZINC001497831457 1018455575 /nfs/dbraw/zinc/45/55/75/1018455575.db2.gz LZNVQEMNHCMFIB-OCCSQVGLSA-N 2 2 306.435 0.835 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480654038 1018746819 /nfs/dbraw/zinc/74/68/19/1018746819.db2.gz VCUQTYHPOMWTIV-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001498781257 1019422871 /nfs/dbraw/zinc/42/28/71/1019422871.db2.gz ABJCFRAUQGUMOM-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001496921818 1019760639 /nfs/dbraw/zinc/76/06/39/1019760639.db2.gz BRUMQIXEMDNSHV-GJZGRUSLSA-N 2 2 304.394 0.407 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001497013033 1019917154 /nfs/dbraw/zinc/91/71/54/1019917154.db2.gz VLNJOYVDHYQUJJ-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP CC(C)(C)[NH+](CC#CC[N@H+](CC(N)=O)C(C)(C)C)CC(N)=O ZINC000278752929 214376297 /nfs/dbraw/zinc/37/62/97/214376297.db2.gz XEDSFBLAALJLMG-UHFFFAOYSA-N 2 2 310.442 0.161 20 30 DCEDLP CC(C)(C)[NH+](CC#CC[N@@H+](CC(N)=O)C(C)(C)C)CC(N)=O ZINC000278752929 214376298 /nfs/dbraw/zinc/37/62/98/214376298.db2.gz XEDSFBLAALJLMG-UHFFFAOYSA-N 2 2 310.442 0.161 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2c(C)noc2C)CC1 ZINC000491070235 241106759 /nfs/dbraw/zinc/10/67/59/241106759.db2.gz ADHKRZJIPRQVCS-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)CCCn1cc[nH+]c1 ZINC000104348354 395778386 /nfs/dbraw/zinc/77/83/86/395778386.db2.gz IKCSINYDGQRNGH-UHFFFAOYSA-N 2 2 319.409 0.738 20 30 DCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000276732475 396024579 /nfs/dbraw/zinc/02/45/79/396024579.db2.gz FCPHZSSIDWWHEO-UHFFFAOYSA-N 2 2 303.410 0.539 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C#N)CC3)C2)CC1 ZINC000619529216 397146022 /nfs/dbraw/zinc/14/60/22/397146022.db2.gz YJXUDNINQRATSU-ZDUSSCGKSA-N 2 2 305.426 0.758 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C#N)CC3)C2)CC1 ZINC000619529216 397146025 /nfs/dbraw/zinc/14/60/25/397146025.db2.gz YJXUDNINQRATSU-ZDUSSCGKSA-N 2 2 305.426 0.758 20 30 DCEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC000599015395 397323546 /nfs/dbraw/zinc/32/35/46/397323546.db2.gz DGRYAAWUCOSHPQ-UHFFFAOYSA-N 2 2 324.392 0.281 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000104164680 415622798 /nfs/dbraw/zinc/62/27/98/415622798.db2.gz HYJSXUWAODWLJN-CQSZACIVSA-N 2 2 320.437 0.958 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000337170796 415922523 /nfs/dbraw/zinc/92/25/23/415922523.db2.gz DFQPIMOCNKRYQY-ULQDDVLXSA-N 2 2 320.481 0.731 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000337170796 415922525 /nfs/dbraw/zinc/92/25/25/415922525.db2.gz DFQPIMOCNKRYQY-ULQDDVLXSA-N 2 2 320.481 0.731 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1=O ZINC000337202387 415926975 /nfs/dbraw/zinc/92/69/75/415926975.db2.gz DXSLHLFIDLLSEE-HNNXBMFYSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1=O ZINC000337202387 415926978 /nfs/dbraw/zinc/92/69/78/415926978.db2.gz DXSLHLFIDLLSEE-HNNXBMFYSA-N 2 2 322.453 0.306 20 30 DCEDLP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCn3cc[nH+]c3)C2)CC1 ZINC000329202312 416156424 /nfs/dbraw/zinc/15/64/24/416156424.db2.gz YBCCGVLWAKCYPQ-HNNXBMFYSA-N 2 2 320.441 0.509 20 30 DCEDLP C=CC[C@@H](CO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000341852237 416242673 /nfs/dbraw/zinc/24/26/73/416242673.db2.gz KGEWAXZNXVRZQD-CQSZACIVSA-N 2 2 312.458 0.496 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2cccs2)CC1 ZINC000491526068 416603879 /nfs/dbraw/zinc/60/38/79/416603879.db2.gz WWCZBDOPMRXRQI-UHFFFAOYSA-N 2 2 305.447 1.000 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2cccs2)CC1 ZINC000491526068 416603883 /nfs/dbraw/zinc/60/38/83/416603883.db2.gz WWCZBDOPMRXRQI-UHFFFAOYSA-N 2 2 305.447 1.000 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000491639626 416608928 /nfs/dbraw/zinc/60/89/28/416608928.db2.gz WYVRRCHDOZMWLP-UHFFFAOYSA-N 3 2 306.454 0.274 20 30 DCEDLP CCc1nc(C#N)cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596123041 416577975 /nfs/dbraw/zinc/57/79/75/416577975.db2.gz LZCKIQOWBZRCRR-CYBMUJFWSA-N 2 2 314.437 1.491 20 30 DCEDLP CCc1nc(C#N)cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596123041 416577980 /nfs/dbraw/zinc/57/79/80/416577980.db2.gz LZCKIQOWBZRCRR-CYBMUJFWSA-N 2 2 314.437 1.491 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000491147461 416586748 /nfs/dbraw/zinc/58/67/48/416586748.db2.gz RRYNROITVOHTJS-KRWDZBQOSA-N 2 2 312.417 0.996 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000491147461 416586751 /nfs/dbraw/zinc/58/67/51/416586751.db2.gz RRYNROITVOHTJS-KRWDZBQOSA-N 2 2 312.417 0.996 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000491747929 416624002 /nfs/dbraw/zinc/62/40/02/416624002.db2.gz DCOFXDLBOGEDDT-IAGOWNOFSA-N 2 2 315.417 0.351 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000491747929 416624004 /nfs/dbraw/zinc/62/40/04/416624004.db2.gz DCOFXDLBOGEDDT-IAGOWNOFSA-N 2 2 315.417 0.351 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000491750679 416624167 /nfs/dbraw/zinc/62/41/67/416624167.db2.gz WXKGRLZDEZOLKO-MRXNPFEDSA-N 2 2 307.438 0.512 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC000491803239 416630552 /nfs/dbraw/zinc/63/05/52/416630552.db2.gz IBRVDUUYEPXGHS-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCO[C@H](CC)C2)CC1 ZINC000491803239 416630558 /nfs/dbraw/zinc/63/05/58/416630558.db2.gz IBRVDUUYEPXGHS-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000491802321 416631220 /nfs/dbraw/zinc/63/12/20/416631220.db2.gz GCODBYOEJWMBNC-HZPDHXFCSA-N 2 2 321.465 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000491802321 416631222 /nfs/dbraw/zinc/63/12/22/416631222.db2.gz GCODBYOEJWMBNC-HZPDHXFCSA-N 2 2 321.465 0.493 20 30 DCEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313826 416965839 /nfs/dbraw/zinc/96/58/39/416965839.db2.gz SJLKXRPGASQFPQ-HUUCEWRRSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313826 416965849 /nfs/dbraw/zinc/96/58/49/416965849.db2.gz SJLKXRPGASQFPQ-HUUCEWRRSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313826 416965853 /nfs/dbraw/zinc/96/58/53/416965853.db2.gz SJLKXRPGASQFPQ-HUUCEWRRSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313826 416965860 /nfs/dbraw/zinc/96/58/60/416965860.db2.gz SJLKXRPGASQFPQ-HUUCEWRRSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313827 416964852 /nfs/dbraw/zinc/96/48/52/416964852.db2.gz SJLKXRPGASQFPQ-LSDHHAIUSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313827 416964862 /nfs/dbraw/zinc/96/48/62/416964862.db2.gz SJLKXRPGASQFPQ-LSDHHAIUSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313827 416964869 /nfs/dbraw/zinc/96/48/69/416964869.db2.gz SJLKXRPGASQFPQ-LSDHHAIUSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000565313827 416964879 /nfs/dbraw/zinc/96/48/79/416964879.db2.gz SJLKXRPGASQFPQ-LSDHHAIUSA-N 2 2 304.394 0.719 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](C#N)CCC#N ZINC000576029781 417573520 /nfs/dbraw/zinc/57/35/20/417573520.db2.gz ATCPWIVGSHACOO-GJZGRUSLSA-N 2 2 305.426 0.962 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](C#N)CCC#N ZINC000576029781 417573522 /nfs/dbraw/zinc/57/35/22/417573522.db2.gz ATCPWIVGSHACOO-GJZGRUSLSA-N 2 2 305.426 0.962 20 30 DCEDLP C[C@@H]1C[C@@H](O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329951335 336099154 /nfs/dbraw/zinc/09/91/54/336099154.db2.gz CLTYRPHMBQOTJQ-CZUORRHYSA-N 2 2 324.469 0.914 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000490617202 339835717 /nfs/dbraw/zinc/83/57/17/339835717.db2.gz NXUCAQVDBZTAJS-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000490761979 339839758 /nfs/dbraw/zinc/83/97/58/339839758.db2.gz YOMPLMJOCLHERJ-QGZVFWFLSA-N 2 2 318.465 0.324 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2sccc2C)CC1 ZINC000491048006 339847045 /nfs/dbraw/zinc/84/70/45/339847045.db2.gz WNPFTFADBGFHKU-AWEZNQCLSA-N 2 2 321.446 0.457 20 30 DCEDLP CC(C)(CNC(=O)C[NH+]1CCC(CC#N)CC1)[NH+]1CCOCC1 ZINC000543806635 341059946 /nfs/dbraw/zinc/05/99/46/341059946.db2.gz GJPQKUQXZSVXGZ-UHFFFAOYSA-N 2 2 322.453 0.839 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153967486 526537773 /nfs/dbraw/zinc/53/77/73/526537773.db2.gz AUZCITMDCMYICE-HOTGVXAUSA-N 2 2 308.470 0.779 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247920212 526610348 /nfs/dbraw/zinc/61/03/48/526610348.db2.gz BBEODCWARAZHOJ-IHRRRGAJSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247920212 526610355 /nfs/dbraw/zinc/61/03/55/526610355.db2.gz BBEODCWARAZHOJ-IHRRRGAJSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247920212 526610357 /nfs/dbraw/zinc/61/03/57/526610357.db2.gz BBEODCWARAZHOJ-IHRRRGAJSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247920212 526610368 /nfs/dbraw/zinc/61/03/68/526610368.db2.gz BBEODCWARAZHOJ-IHRRRGAJSA-N 2 2 308.426 0.803 20 30 DCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000329298551 546046416 /nfs/dbraw/zinc/04/64/16/546046416.db2.gz LLNZOELAOOVIFK-CYBMUJFWSA-N 2 2 310.442 0.838 20 30 DCEDLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000329298551 546046420 /nfs/dbraw/zinc/04/64/20/546046420.db2.gz LLNZOELAOOVIFK-CYBMUJFWSA-N 2 2 310.442 0.838 20 30 DCEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329298551 546046426 /nfs/dbraw/zinc/04/64/26/546046426.db2.gz LLNZOELAOOVIFK-CYBMUJFWSA-N 2 2 310.442 0.838 20 30 DCEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329298551 546046431 /nfs/dbraw/zinc/04/64/31/546046431.db2.gz LLNZOELAOOVIFK-CYBMUJFWSA-N 2 2 310.442 0.838 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978380214 660527956 /nfs/dbraw/zinc/52/79/56/660527956.db2.gz AFGWQHSSGYBENB-MIGQKNRLSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978380214 660527958 /nfs/dbraw/zinc/52/79/58/660527958.db2.gz AFGWQHSSGYBENB-MIGQKNRLSA-N 2 2 300.406 0.926 20 30 DCEDLP C#CCC[N@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981326817 661133009 /nfs/dbraw/zinc/13/30/09/661133009.db2.gz IDNKNGCRIRJWQM-MRXNPFEDSA-N 2 2 317.437 0.371 20 30 DCEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981326817 661133010 /nfs/dbraw/zinc/13/30/10/661133010.db2.gz IDNKNGCRIRJWQM-MRXNPFEDSA-N 2 2 317.437 0.371 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535723 657654218 /nfs/dbraw/zinc/65/42/18/657654218.db2.gz YMGBAMQCHGINEW-GOSISDBHSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535723 657654220 /nfs/dbraw/zinc/65/42/20/657654220.db2.gz YMGBAMQCHGINEW-GOSISDBHSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537338 657665446 /nfs/dbraw/zinc/66/54/46/657665446.db2.gz GZJZCQSWKVQPJK-AEFFLSMTSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537338 657665449 /nfs/dbraw/zinc/66/54/49/657665449.db2.gz GZJZCQSWKVQPJK-AEFFLSMTSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001023448945 657874871 /nfs/dbraw/zinc/87/48/71/657874871.db2.gz BVYCIYAFGNAYOD-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640015 658138576 /nfs/dbraw/zinc/13/85/76/658138576.db2.gz DFXRCCIRBKRYCX-GOSISDBHSA-N 2 2 317.433 0.409 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640015 658138581 /nfs/dbraw/zinc/13/85/81/658138581.db2.gz DFXRCCIRBKRYCX-GOSISDBHSA-N 2 2 317.433 0.409 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999389746 665640009 /nfs/dbraw/zinc/64/00/09/665640009.db2.gz BSFNKSBDSURSHR-HOTGVXAUSA-N 2 2 316.405 0.853 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000999389746 665640011 /nfs/dbraw/zinc/64/00/11/665640011.db2.gz BSFNKSBDSURSHR-HOTGVXAUSA-N 2 2 316.405 0.853 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001025814096 659576593 /nfs/dbraw/zinc/57/65/93/659576593.db2.gz QZCVECBEBHLPLK-BFUFBUIJSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001025814096 659576596 /nfs/dbraw/zinc/57/65/96/659576596.db2.gz QZCVECBEBHLPLK-BFUFBUIJSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C/C=C\Cl)C[C@H]21 ZINC001025814096 659576598 /nfs/dbraw/zinc/57/65/98/659576598.db2.gz QZCVECBEBHLPLK-BFUFBUIJSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C/C=C\Cl)C[C@H]21 ZINC001025814096 659576602 /nfs/dbraw/zinc/57/66/02/659576602.db2.gz QZCVECBEBHLPLK-BFUFBUIJSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C(C)(C)C1 ZINC000974685876 659619054 /nfs/dbraw/zinc/61/90/54/659619054.db2.gz LXHOZFSUXZMGMG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C(C)(C)C1 ZINC000974685876 659619058 /nfs/dbraw/zinc/61/90/58/659619058.db2.gz LXHOZFSUXZMGMG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C(C)(C)C1 ZINC000974685876 659619061 /nfs/dbraw/zinc/61/90/61/659619061.db2.gz LXHOZFSUXZMGMG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C(C)(C)C1 ZINC000974685876 659619063 /nfs/dbraw/zinc/61/90/63/659619063.db2.gz LXHOZFSUXZMGMG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028995761 661926332 /nfs/dbraw/zinc/92/63/32/661926332.db2.gz TYRBKLQVOARBQC-UONOGXRCSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028995761 661926334 /nfs/dbraw/zinc/92/63/34/661926334.db2.gz TYRBKLQVOARBQC-UONOGXRCSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995761 661926335 /nfs/dbraw/zinc/92/63/35/661926335.db2.gz TYRBKLQVOARBQC-UONOGXRCSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995761 661926337 /nfs/dbraw/zinc/92/63/37/661926337.db2.gz TYRBKLQVOARBQC-UONOGXRCSA-N 2 2 315.845 0.898 20 30 DCEDLP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988874299 662869188 /nfs/dbraw/zinc/86/91/88/662869188.db2.gz JDZCOPGBZHJXMW-ZIAGYGMSSA-N 2 2 300.406 0.974 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990109138 663005033 /nfs/dbraw/zinc/00/50/33/663005033.db2.gz QJTIFAAEMYETJS-ZMSDIMECSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990109138 663005034 /nfs/dbraw/zinc/00/50/34/663005034.db2.gz QJTIFAAEMYETJS-ZMSDIMECSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990109138 663005035 /nfs/dbraw/zinc/00/50/35/663005035.db2.gz QJTIFAAEMYETJS-ZMSDIMECSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990109138 663005037 /nfs/dbraw/zinc/00/50/37/663005037.db2.gz QJTIFAAEMYETJS-ZMSDIMECSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000730104997 663044430 /nfs/dbraw/zinc/04/44/30/663044430.db2.gz YQNQRFZNYBTDTJ-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000730104997 663044431 /nfs/dbraw/zinc/04/44/31/663044431.db2.gz YQNQRFZNYBTDTJ-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCCC[C@H]3O)cn2)CC1 ZINC000901339364 663339535 /nfs/dbraw/zinc/33/95/35/663339535.db2.gz RRPXJSUADUKSPS-HUUCEWRRSA-N 2 2 318.425 0.455 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443995 665995499 /nfs/dbraw/zinc/99/54/99/665995499.db2.gz ZJUPLLXQVNSBBW-INIZCTEOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443995 665995502 /nfs/dbraw/zinc/99/55/02/665995502.db2.gz ZJUPLLXQVNSBBW-INIZCTEOSA-N 2 2 318.465 0.322 20 30 DCEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NCC#CC[NH+](C)C)CC1 ZINC000913516713 664337196 /nfs/dbraw/zinc/33/71/96/664337196.db2.gz BSQPWVZLHPPZHQ-UHFFFAOYSA-N 2 2 317.437 0.313 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001032587951 665381746 /nfs/dbraw/zinc/38/17/46/665381746.db2.gz YZAWEOMUFXHPTD-JYJNAYRXSA-N 2 2 307.438 0.957 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032587951 665381749 /nfs/dbraw/zinc/38/17/49/665381749.db2.gz YZAWEOMUFXHPTD-JYJNAYRXSA-N 2 2 307.438 0.957 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032587951 665381750 /nfs/dbraw/zinc/38/17/50/665381750.db2.gz YZAWEOMUFXHPTD-JYJNAYRXSA-N 2 2 307.438 0.957 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032587951 665381752 /nfs/dbraw/zinc/38/17/52/665381752.db2.gz YZAWEOMUFXHPTD-JYJNAYRXSA-N 2 2 307.438 0.957 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932817 666872289 /nfs/dbraw/zinc/87/22/89/666872289.db2.gz SUHWCYSNEIQYRB-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932817 666872291 /nfs/dbraw/zinc/87/22/91/666872291.db2.gz SUHWCYSNEIQYRB-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932817 666872294 /nfs/dbraw/zinc/87/22/94/666872294.db2.gz SUHWCYSNEIQYRB-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000996859524 666956108 /nfs/dbraw/zinc/95/61/08/666956108.db2.gz TZAWEZZKZIXOLP-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC000996859524 666956112 /nfs/dbraw/zinc/95/61/12/666956112.db2.gz TZAWEZZKZIXOLP-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362838 667002839 /nfs/dbraw/zinc/00/28/39/667002839.db2.gz IZITTWNUFRBIQW-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362838 667002845 /nfs/dbraw/zinc/00/28/45/667002845.db2.gz IZITTWNUFRBIQW-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362838 667002849 /nfs/dbraw/zinc/00/28/49/667002849.db2.gz IZITTWNUFRBIQW-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362838 667002851 /nfs/dbraw/zinc/00/28/51/667002851.db2.gz IZITTWNUFRBIQW-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032444217 667269713 /nfs/dbraw/zinc/26/97/13/667269713.db2.gz QBNXBZJEACPSBA-HRCADAONSA-N 2 2 317.437 0.675 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032444217 667269718 /nfs/dbraw/zinc/26/97/18/667269718.db2.gz QBNXBZJEACPSBA-HRCADAONSA-N 2 2 317.437 0.675 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035328094 667299715 /nfs/dbraw/zinc/29/97/15/667299715.db2.gz PKIUBOGHQWLISP-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035328094 667299716 /nfs/dbraw/zinc/29/97/16/667299716.db2.gz PKIUBOGHQWLISP-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035328094 667299717 /nfs/dbraw/zinc/29/97/17/667299717.db2.gz PKIUBOGHQWLISP-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035328094 667299718 /nfs/dbraw/zinc/29/97/18/667299718.db2.gz PKIUBOGHQWLISP-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001035844458 667414327 /nfs/dbraw/zinc/41/43/27/667414327.db2.gz HZGHMVJVIJBVCT-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000884227514 667504686 /nfs/dbraw/zinc/50/46/86/667504686.db2.gz RHDRWBWVXWIMCG-KBPBESRZSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000884227514 667504688 /nfs/dbraw/zinc/50/46/88/667504688.db2.gz RHDRWBWVXWIMCG-KBPBESRZSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000884328837 667525401 /nfs/dbraw/zinc/52/54/01/667525401.db2.gz YGBXLNADWDXUIP-IHRRRGAJSA-N 2 2 309.410 0.376 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000884328837 667525404 /nfs/dbraw/zinc/52/54/04/667525404.db2.gz YGBXLNADWDXUIP-IHRRRGAJSA-N 2 2 309.410 0.376 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000884612103 667575757 /nfs/dbraw/zinc/57/57/57/667575757.db2.gz DAVAQEPIGAARRV-AWEZNQCLSA-N 2 2 301.394 0.823 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000884612103 667575758 /nfs/dbraw/zinc/57/57/58/667575758.db2.gz DAVAQEPIGAARRV-AWEZNQCLSA-N 2 2 301.394 0.823 20 30 DCEDLP C#CCN1C(=O)C[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000887301403 667867178 /nfs/dbraw/zinc/86/71/78/667867178.db2.gz XKZYJZGDSDAQQA-DZGCQCFKSA-N 2 2 312.373 0.353 20 30 DCEDLP C#CCN1C(=O)C[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000887301403 667867181 /nfs/dbraw/zinc/86/71/81/667867181.db2.gz XKZYJZGDSDAQQA-DZGCQCFKSA-N 2 2 312.373 0.353 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000761121824 668307150 /nfs/dbraw/zinc/30/71/50/668307150.db2.gz GYEHTAPOEPVOLA-UHFFFAOYSA-N 2 2 306.454 0.226 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000876801767 668513950 /nfs/dbraw/zinc/51/39/50/668513950.db2.gz ILXLJIOVTJJFSH-UTLUCORTSA-N 2 2 301.272 0.604 20 30 DCEDLP C#CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000784330588 669199839 /nfs/dbraw/zinc/19/98/39/669199839.db2.gz OHFRHJSHGBUCHE-AWEZNQCLSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CCOCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000784330588 669199842 /nfs/dbraw/zinc/19/98/42/669199842.db2.gz OHFRHJSHGBUCHE-AWEZNQCLSA-N 2 2 308.426 0.104 20 30 DCEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000794832032 669865183 /nfs/dbraw/zinc/86/51/83/669865183.db2.gz JHKCUEBXUOCXOB-HOTGVXAUSA-N 2 2 316.405 0.863 20 30 DCEDLP N#Cc1ccc(O[C@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000794832032 669865185 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C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038698630 694165961 /nfs/dbraw/zinc/16/59/61/694165961.db2.gz IIWJLPDVQZMUBF-LSDHHAIUSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038698630 694165963 /nfs/dbraw/zinc/16/59/63/694165963.db2.gz IIWJLPDVQZMUBF-LSDHHAIUSA-N 2 2 300.406 0.968 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038812124 694198827 /nfs/dbraw/zinc/19/88/27/694198827.db2.gz YQLYLFPQTKZVEA-OAHLLOKOSA-N 2 2 303.410 0.272 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038812124 694198828 /nfs/dbraw/zinc/19/88/28/694198828.db2.gz YQLYLFPQTKZVEA-OAHLLOKOSA-N 2 2 303.410 0.272 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962213002 688849626 /nfs/dbraw/zinc/84/96/26/688849626.db2.gz VPVBYZLJVOPZII-QLPKVWCKSA-N 2 2 321.384 0.951 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962213002 688849630 /nfs/dbraw/zinc/84/96/30/688849630.db2.gz VPVBYZLJVOPZII-QLPKVWCKSA-N 2 2 321.384 0.951 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978360852 690517757 /nfs/dbraw/zinc/51/77/57/690517757.db2.gz MTEAMBGQGDBNOE-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978360852 690517760 /nfs/dbraw/zinc/51/77/60/690517760.db2.gz MTEAMBGQGDBNOE-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CC[N@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884181 694679249 /nfs/dbraw/zinc/67/92/49/694679249.db2.gz MDMQLPBIENGINU-UHFFFAOYSA-N 2 2 302.378 0.517 20 30 DCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884181 694679251 /nfs/dbraw/zinc/67/92/51/694679251.db2.gz MDMQLPBIENGINU-UHFFFAOYSA-N 2 2 302.378 0.517 20 30 DCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001571430000 1162747942 /nfs/dbraw/zinc/74/79/42/1162747942.db2.gz OXCKFBFATGHHPL-IUODEOHRSA-N 2 2 321.425 0.433 20 30 DCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001571430000 1162747949 /nfs/dbraw/zinc/74/79/49/1162747949.db2.gz OXCKFBFATGHHPL-IUODEOHRSA-N 2 2 321.425 0.433 20 30 DCEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001571432796 1162750607 /nfs/dbraw/zinc/75/06/07/1162750607.db2.gz VSBJRJHJCCUTNF-CQSZACIVSA-N 2 2 308.426 0.960 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001691523823 1158192938 /nfs/dbraw/zinc/19/29/38/1158192938.db2.gz NPQBGVZEBFJXFK-JYJNAYRXSA-N 2 2 318.421 0.968 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOCC)[C@@H]1C ZINC001691688894 1158751098 /nfs/dbraw/zinc/75/10/98/1158751098.db2.gz LZWLAFLBDNVIDL-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOCC)[C@@H]1C ZINC001691688894 1158751101 /nfs/dbraw/zinc/75/11/01/1158751101.db2.gz LZWLAFLBDNVIDL-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP 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304.394 0.411 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001569898652 1161305589 /nfs/dbraw/zinc/30/55/89/1161305589.db2.gz QPLBXFMKEMHDDZ-GOEBONIOSA-N 2 2 304.394 0.411 20 30 DCEDLP COCC[C@H]([NH3+])C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001579000933 1165185039 /nfs/dbraw/zinc/18/50/39/1165185039.db2.gz DBHVZFDTRDOLNN-HOTGVXAUSA-N 2 2 316.405 0.613 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001662649360 1174227743 /nfs/dbraw/zinc/22/77/43/1174227743.db2.gz ICBOTXJJFYIJJY-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001665425304 1174520654 /nfs/dbraw/zinc/52/06/54/1174520654.db2.gz PXUYGPSCEARKIY-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCC ZINC001665425304 1174520659 /nfs/dbraw/zinc/52/06/59/1174520659.db2.gz PXUYGPSCEARKIY-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCC ZINC001665425304 1174520662 /nfs/dbraw/zinc/52/06/62/1174520662.db2.gz PXUYGPSCEARKIY-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCC ZINC001665425304 1174520668 /nfs/dbraw/zinc/52/06/68/1174520668.db2.gz PXUYGPSCEARKIY-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001665834037 1174567491 /nfs/dbraw/zinc/56/74/91/1174567491.db2.gz MZYYISYLRLQQFU-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001665834037 1174567495 /nfs/dbraw/zinc/56/74/95/1174567495.db2.gz MZYYISYLRLQQFU-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001672040016 1175069861 /nfs/dbraw/zinc/06/98/61/1175069861.db2.gz OGEPSLBSWYTQHS-MRXNPFEDSA-N 2 2 322.409 0.016 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001672040016 1175069866 /nfs/dbraw/zinc/06/98/66/1175069866.db2.gz OGEPSLBSWYTQHS-MRXNPFEDSA-N 2 2 322.409 0.016 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001672321728 1175099908 /nfs/dbraw/zinc/09/99/08/1175099908.db2.gz UOAUXRYBWPFXDG-KGLIPLIRSA-N 2 2 304.394 0.286 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001676548661 1175459363 /nfs/dbraw/zinc/45/93/63/1175459363.db2.gz BGJPCPHJFYYEPJ-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001677497120 1175570403 /nfs/dbraw/zinc/57/04/03/1175570403.db2.gz PNHPWYWEMFLWHI-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001690393587 1177234912 /nfs/dbraw/zinc/23/49/12/1177234912.db2.gz GXNKLJOPJRQJCD-HNNXBMFYSA-N 2 2 306.410 0.914 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001690393587 1177234915 /nfs/dbraw/zinc/23/49/15/1177234915.db2.gz GXNKLJOPJRQJCD-HNNXBMFYSA-N 2 2 306.410 0.914 20 30 DCEDLP COCC#CC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001698632281 1177592010 /nfs/dbraw/zinc/59/20/10/1177592010.db2.gz DNIOWJFOJFQFGZ-UHFFFAOYSA-N 2 2 318.421 0.942 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001699762203 1178278687 /nfs/dbraw/zinc/27/86/87/1178278687.db2.gz CLGPIBRPTDYXNI-AWEZNQCLSA-N 2 2 304.394 0.491 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001699903990 1178358065 /nfs/dbraw/zinc/35/80/65/1178358065.db2.gz BZNNDKGLMOMJMU-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001699903990 1178358073 /nfs/dbraw/zinc/35/80/73/1178358073.db2.gz BZNNDKGLMOMJMU-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP CCC1([NH2+]CC#CCOC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001700223158 1178539721 /nfs/dbraw/zinc/53/97/21/1178539721.db2.gz OOEZCJGDTQUKSA-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP C=CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCOC ZINC001701004240 1178869266 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DCEDLP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001725454663 1184832735 /nfs/dbraw/zinc/83/27/35/1184832735.db2.gz VAVTYFJYCILUEF-CQSZACIVSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731688321 1185445016 /nfs/dbraw/zinc/44/50/16/1185445016.db2.gz XVESLJSLIJFHCU-ZIAGYGMSSA-N 2 2 319.409 0.012 20 30 DCEDLP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001732386230 1185794266 /nfs/dbraw/zinc/79/42/66/1185794266.db2.gz DCDIFFHUMVKWJQ-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCCC[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001732386230 1185794271 /nfs/dbraw/zinc/79/42/71/1185794271.db2.gz DCDIFFHUMVKWJQ-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001732645207 1185892615 /nfs/dbraw/zinc/89/26/15/1185892615.db2.gz OTQOCZWBPFEUSK-FZMZJTMJSA-N 2 2 307.398 0.043 20 30 DCEDLP C=CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001732645207 1185892619 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0.990 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001734075714 1186541469 /nfs/dbraw/zinc/54/14/69/1186541469.db2.gz NTHYTBOBJLOYME-OAHLLOKOSA-N 2 2 309.454 0.990 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1conc1CC ZINC001752878568 1188454335 /nfs/dbraw/zinc/45/43/35/1188454335.db2.gz OYZFOIUAXGMGOL-BBRMVZONSA-N 2 2 318.421 0.929 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1conc1CC ZINC001752878568 1188454338 /nfs/dbraw/zinc/45/43/38/1188454338.db2.gz OYZFOIUAXGMGOL-BBRMVZONSA-N 2 2 318.421 0.929 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001752878910 1188454585 /nfs/dbraw/zinc/45/45/85/1188454585.db2.gz SWJCFOVYHPGMNN-KGLIPLIRSA-N 2 2 303.410 0.112 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001752878910 1188454586 /nfs/dbraw/zinc/45/45/86/1188454586.db2.gz SWJCFOVYHPGMNN-KGLIPLIRSA-N 2 2 303.410 0.112 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001753056078 1188487277 /nfs/dbraw/zinc/48/72/77/1188487277.db2.gz OYNIEUGSWPSOJB-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001753056078 1188487279 /nfs/dbraw/zinc/48/72/79/1188487279.db2.gz OYNIEUGSWPSOJB-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(=O)NCCC ZINC001753855193 1188666471 /nfs/dbraw/zinc/66/64/71/1188666471.db2.gz OPSZWQWVOSANDU-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(=O)NCCC ZINC001753855193 1188666473 /nfs/dbraw/zinc/66/64/73/1188666473.db2.gz OPSZWQWVOSANDU-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(=O)NCCC ZINC001753855193 1188666474 /nfs/dbraw/zinc/66/64/74/1188666474.db2.gz OPSZWQWVOSANDU-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC(=O)NCCC ZINC001753855193 1188666476 /nfs/dbraw/zinc/66/64/76/1188666476.db2.gz OPSZWQWVOSANDU-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001754268212 1188804402 /nfs/dbraw/zinc/80/44/02/1188804402.db2.gz NUUFUZCSFWNMSU-WFASDCNBSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001754268212 1188804405 /nfs/dbraw/zinc/80/44/05/1188804405.db2.gz NUUFUZCSFWNMSU-WFASDCNBSA-N 2 2 303.410 0.908 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001754445172 1188854709 /nfs/dbraw/zinc/85/47/09/1188854709.db2.gz OKYVTBOFMHCGGP-ZBFHGGJFSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001754755672 1188923123 /nfs/dbraw/zinc/92/31/23/1188923123.db2.gz XLYNEMRERXGSLW-RDJZCZTQSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(C)C)C1 ZINC001754755672 1188923124 /nfs/dbraw/zinc/92/31/24/1188923124.db2.gz XLYNEMRERXGSLW-RDJZCZTQSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(C)C)C1 ZINC001754755672 1188923125 /nfs/dbraw/zinc/92/31/25/1188923125.db2.gz XLYNEMRERXGSLW-RDJZCZTQSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(C)C)C1 ZINC001754755672 1188923126 /nfs/dbraw/zinc/92/31/26/1188923126.db2.gz XLYNEMRERXGSLW-RDJZCZTQSA-N 2 2 307.438 0.293 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754757587 1188924322 /nfs/dbraw/zinc/92/43/22/1188924322.db2.gz NMPUOZLNBXDYJI-CKEIUWERSA-N 2 2 318.421 0.653 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754757587 1188924324 /nfs/dbraw/zinc/92/43/24/1188924324.db2.gz NMPUOZLNBXDYJI-CKEIUWERSA-N 2 2 318.421 0.653 20 30 DCEDLP CCC1([NH2+]CC#CCOC)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001755074949 1189014539 /nfs/dbraw/zinc/01/45/39/1189014539.db2.gz RNCHXOITMUHMGB-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP C=CCCC[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001755180591 1189048313 /nfs/dbraw/zinc/04/83/13/1189048313.db2.gz DAEKMTQBTNWXKQ-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755688191 1189185271 /nfs/dbraw/zinc/18/52/71/1189185271.db2.gz HBYKLPFNWPSQEZ-AAEUAGOBSA-N 2 2 319.409 0.142 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001755807540 1189226441 /nfs/dbraw/zinc/22/64/41/1189226441.db2.gz IFLRUACVKQWRCI-HNNXBMFYSA-N 2 2 306.410 0.438 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001755807540 1189226443 /nfs/dbraw/zinc/22/64/43/1189226443.db2.gz IFLRUACVKQWRCI-HNNXBMFYSA-N 2 2 306.410 0.438 20 30 DCEDLP C#CCC[NH+]1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001042740717 751878238 /nfs/dbraw/zinc/87/82/38/751878238.db2.gz CCVZPDFZZJNFCW-UHFFFAOYSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCOCC2)C1 ZINC001042962805 752010070 /nfs/dbraw/zinc/01/00/70/752010070.db2.gz KYDMIYWRZISKOF-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCOCC2)C1 ZINC001042962805 752010078 /nfs/dbraw/zinc/01/00/78/752010078.db2.gz KYDMIYWRZISKOF-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187196 749281282 /nfs/dbraw/zinc/28/12/82/749281282.db2.gz LSHNLMVGRLAWGV-CABCVRRESA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187196 749281286 /nfs/dbraw/zinc/28/12/86/749281286.db2.gz LSHNLMVGRLAWGV-CABCVRRESA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001083535827 750116304 /nfs/dbraw/zinc/11/63/04/750116304.db2.gz ONBAIWNTUBJTPQ-PMPSAXMXSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1O ZINC001083535827 750116310 /nfs/dbraw/zinc/11/63/10/750116310.db2.gz ONBAIWNTUBJTPQ-PMPSAXMXSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@@H]1O ZINC001083535827 750116312 /nfs/dbraw/zinc/11/63/12/750116312.db2.gz ONBAIWNTUBJTPQ-PMPSAXMXSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@@H]1O ZINC001083535827 750116319 /nfs/dbraw/zinc/11/63/19/750116319.db2.gz ONBAIWNTUBJTPQ-PMPSAXMXSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@H]2C1 ZINC001049234274 755196263 /nfs/dbraw/zinc/19/62/63/755196263.db2.gz CZOXGGDPFHPDNH-IXDOHACOSA-N 2 2 312.417 0.708 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C[C@H]2C1 ZINC001049234274 755196268 /nfs/dbraw/zinc/19/62/68/755196268.db2.gz CZOXGGDPFHPDNH-IXDOHACOSA-N 2 2 312.417 0.708 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049529019 755300746 /nfs/dbraw/zinc/30/07/46/755300746.db2.gz IXBSAMAGUMIBPV-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049529019 755300751 /nfs/dbraw/zinc/30/07/51/755300751.db2.gz IXBSAMAGUMIBPV-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCO ZINC001049529019 755300755 /nfs/dbraw/zinc/30/07/55/755300755.db2.gz IXBSAMAGUMIBPV-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCO ZINC001049529019 755300759 /nfs/dbraw/zinc/30/07/59/755300759.db2.gz IXBSAMAGUMIBPV-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054006607 756327796 /nfs/dbraw/zinc/32/77/96/756327796.db2.gz MSMWHDVTFWODFZ-CQSZACIVSA-N 2 2 304.394 0.727 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081870916 756830409 /nfs/dbraw/zinc/83/04/09/756830409.db2.gz QJRUAUXPSGJZKY-NUEKZKHPSA-N 2 2 318.421 0.837 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081870916 756830414 /nfs/dbraw/zinc/83/04/14/756830414.db2.gz QJRUAUXPSGJZKY-NUEKZKHPSA-N 2 2 318.421 0.837 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072684 756918672 /nfs/dbraw/zinc/91/86/72/756918672.db2.gz DRSQNHLRWPVIQB-ZIAGYGMSSA-N 2 2 307.394 0.956 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072684 756918675 /nfs/dbraw/zinc/91/86/75/756918675.db2.gz DRSQNHLRWPVIQB-ZIAGYGMSSA-N 2 2 307.394 0.956 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001082605163 757202813 /nfs/dbraw/zinc/20/28/13/757202813.db2.gz WIIZGYFLXCPZGU-PVXIVEMSSA-N 2 2 300.406 0.893 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001082605163 757202816 /nfs/dbraw/zinc/20/28/16/757202816.db2.gz WIIZGYFLXCPZGU-PVXIVEMSSA-N 2 2 300.406 0.893 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083938577 757560981 /nfs/dbraw/zinc/56/09/81/757560981.db2.gz GVIJFUKCOXPFBZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083938577 757560985 /nfs/dbraw/zinc/56/09/85/757560985.db2.gz GVIJFUKCOXPFBZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938577 757560990 /nfs/dbraw/zinc/56/09/90/757560990.db2.gz GVIJFUKCOXPFBZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938577 757560992 /nfs/dbraw/zinc/56/09/92/757560992.db2.gz GVIJFUKCOXPFBZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)CC1 ZINC001084851227 758081923 /nfs/dbraw/zinc/08/19/23/758081923.db2.gz SMPYUYKLVUCFNW-HZPDHXFCSA-N 2 2 307.413 0.834 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)CC1 ZINC001084851227 758081931 /nfs/dbraw/zinc/08/19/31/758081931.db2.gz SMPYUYKLVUCFNW-HZPDHXFCSA-N 2 2 307.413 0.834 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036178 759131604 /nfs/dbraw/zinc/13/16/04/759131604.db2.gz HDLVFJONAHKWJO-DLBZAZTESA-N 2 2 320.481 0.731 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001108279725 760234520 /nfs/dbraw/zinc/23/45/20/760234520.db2.gz ITWQEWTVYQNVLV-INIZCTEOSA-N 2 2 311.426 0.102 20 30 DCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001108279725 760234531 /nfs/dbraw/zinc/23/45/31/760234531.db2.gz ITWQEWTVYQNVLV-INIZCTEOSA-N 2 2 311.426 0.102 20 30 DCEDLP C=CCNC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169072189 760570893 /nfs/dbraw/zinc/57/08/93/760570893.db2.gz KJZKIGUMRCXWHP-GFCCVEGCSA-N 2 2 301.350 0.045 20 30 DCEDLP N#CCc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169073495 760572164 /nfs/dbraw/zinc/57/21/64/760572164.db2.gz JRYXADOXUWOTPA-LLVKDONJSA-N 2 2 301.306 0.709 20 30 DCEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001109113336 761253912 /nfs/dbraw/zinc/25/39/12/761253912.db2.gz JSFYLFNEPMCZLX-FXUDXRNXSA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001109113336 761253914 /nfs/dbraw/zinc/25/39/14/761253914.db2.gz JSFYLFNEPMCZLX-FXUDXRNXSA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001109113336 761253917 /nfs/dbraw/zinc/25/39/17/761253917.db2.gz JSFYLFNEPMCZLX-FXUDXRNXSA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001109113336 761253920 /nfs/dbraw/zinc/25/39/20/761253920.db2.gz JSFYLFNEPMCZLX-FXUDXRNXSA-N 2 2 323.437 0.241 20 30 DCEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001070973555 761551039 /nfs/dbraw/zinc/55/10/39/761551039.db2.gz POQCECVGIIXQCS-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001070973555 761551047 /nfs/dbraw/zinc/55/10/47/761551047.db2.gz POQCECVGIIXQCS-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001070999919 761571248 /nfs/dbraw/zinc/57/12/48/761571248.db2.gz FXEZRUUFHXISOS-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001070999919 761571252 /nfs/dbraw/zinc/57/12/52/761571252.db2.gz FXEZRUUFHXISOS-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999919 761571255 /nfs/dbraw/zinc/57/12/55/761571255.db2.gz FXEZRUUFHXISOS-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001070999919 761571260 /nfs/dbraw/zinc/57/12/60/761571260.db2.gz FXEZRUUFHXISOS-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071025651 761591949 /nfs/dbraw/zinc/59/19/49/761591949.db2.gz PUACVVNXPFMIFV-UHFFFAOYSA-N 2 2 319.409 0.110 20 30 DCEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071025651 761591955 /nfs/dbraw/zinc/59/19/55/761591955.db2.gz PUACVVNXPFMIFV-UHFFFAOYSA-N 2 2 319.409 0.110 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138444 761669153 /nfs/dbraw/zinc/66/91/53/761669153.db2.gz IMXBWZZOHDNIQZ-LSDHHAIUSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138444 761669158 /nfs/dbraw/zinc/66/91/58/761669158.db2.gz IMXBWZZOHDNIQZ-LSDHHAIUSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001098710531 762714503 /nfs/dbraw/zinc/71/45/03/762714503.db2.gz FUJOHGDQCKALTI-HNNXBMFYSA-N 2 2 318.425 0.116 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001099231280 762840370 /nfs/dbraw/zinc/84/03/70/762840370.db2.gz BOKJWZJTYZCZJH-IJLUTSLNSA-N 2 2 321.343 0.482 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001099231280 762840377 /nfs/dbraw/zinc/84/03/77/762840377.db2.gz BOKJWZJTYZCZJH-IJLUTSLNSA-N 2 2 321.343 0.482 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC001099333376 762865315 /nfs/dbraw/zinc/86/53/15/762865315.db2.gz YECZKOVGIJNRRV-VXGBXAGGSA-N 2 2 314.311 0.575 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(CC)n1 ZINC001129770792 763009243 /nfs/dbraw/zinc/00/92/43/763009243.db2.gz KLUNPBQBTWITNX-HNNXBMFYSA-N 2 2 303.410 0.206 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(CC)n1 ZINC001129770792 763009253 /nfs/dbraw/zinc/00/92/53/763009253.db2.gz KLUNPBQBTWITNX-HNNXBMFYSA-N 2 2 303.410 0.206 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001608 763078233 /nfs/dbraw/zinc/07/82/33/763078233.db2.gz UTEZYWOLGIYPDF-OAHLLOKOSA-N 2 2 306.410 0.826 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130166578 763158794 /nfs/dbraw/zinc/15/87/94/763158794.db2.gz IGBDVQFHFGIHOP-CYBMUJFWSA-N 2 2 321.425 0.323 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094449 763298735 /nfs/dbraw/zinc/29/87/35/763298735.db2.gz MWOXMNOERDAACV-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094449 763298747 /nfs/dbraw/zinc/29/87/47/763298747.db2.gz MWOXMNOERDAACV-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091806004 768137875 /nfs/dbraw/zinc/13/78/75/768137875.db2.gz ZBNVOGPKCQSWJR-DYVFJYSZSA-N 2 2 316.405 0.763 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@]2(C)C1 ZINC001091806004 768137879 /nfs/dbraw/zinc/13/78/79/768137879.db2.gz ZBNVOGPKCQSWJR-DYVFJYSZSA-N 2 2 316.405 0.763 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419060 763566847 /nfs/dbraw/zinc/56/68/47/763566847.db2.gz OITKZYQBOPAVNQ-NEXFUWMNSA-N 2 2 316.405 0.647 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419060 763566854 /nfs/dbraw/zinc/56/68/54/763566854.db2.gz OITKZYQBOPAVNQ-NEXFUWMNSA-N 2 2 316.405 0.647 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710270 763739090 /nfs/dbraw/zinc/73/90/90/763739090.db2.gz KQCWHNWONALJKF-HIFPTAJRSA-N 2 2 319.409 0.127 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822290 764044802 /nfs/dbraw/zinc/04/48/02/764044802.db2.gz LYIPHJOESDAWQN-OAHLLOKOSA-N 2 2 313.442 0.396 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822290 764044810 /nfs/dbraw/zinc/04/48/10/764044810.db2.gz LYIPHJOESDAWQN-OAHLLOKOSA-N 2 2 313.442 0.396 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375325 764077023 /nfs/dbraw/zinc/07/70/23/764077023.db2.gz NAJVHKLDCAMWNR-PBHICJAKSA-N 2 2 316.405 0.382 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375325 764077033 /nfs/dbraw/zinc/07/70/33/764077033.db2.gz NAJVHKLDCAMWNR-PBHICJAKSA-N 2 2 316.405 0.382 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)c1nccn12 ZINC001101641589 764215833 /nfs/dbraw/zinc/21/58/33/764215833.db2.gz UUBQBOUARLEEFQ-CYBMUJFWSA-N 2 2 303.410 0.593 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407963 764632698 /nfs/dbraw/zinc/63/26/98/764632698.db2.gz SRLROKHVYKJQIR-ZIAGYGMSSA-N 2 2 306.410 0.839 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407963 764632699 /nfs/dbraw/zinc/63/26/99/764632699.db2.gz SRLROKHVYKJQIR-ZIAGYGMSSA-N 2 2 306.410 0.839 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001098489389 766079672 /nfs/dbraw/zinc/07/96/72/766079672.db2.gz UAGYLCIOCSGYDR-HNNXBMFYSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001098489389 766079679 /nfs/dbraw/zinc/07/96/79/766079679.db2.gz UAGYLCIOCSGYDR-HNNXBMFYSA-N 2 2 318.421 0.753 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509053 767465324 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C=CCOCC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177064227 770317010 /nfs/dbraw/zinc/31/70/10/770317010.db2.gz LEHXOKFHNVGSIM-INIZCTEOSA-N 2 2 320.437 0.983 20 30 DCEDLP N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155371518 770480390 /nfs/dbraw/zinc/48/03/90/770480390.db2.gz ALEVZBXYEIRQRS-CYBMUJFWSA-N 2 2 316.365 0.721 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265188 771570748 /nfs/dbraw/zinc/57/07/48/771570748.db2.gz OJLOBGNKMANHSZ-LBPRGKRZSA-N 2 2 307.398 0.129 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183773626 771699046 /nfs/dbraw/zinc/69/90/46/771699046.db2.gz RISJGPYUQRYKIH-HUUCEWRRSA-N 2 2 316.405 0.286 20 30 DCEDLP COC(=O)[C@@H]1C[C@@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)C[NH2+]1 ZINC001158250906 771745655 /nfs/dbraw/zinc/74/56/55/771745655.db2.gz DEZAYIGFIREQSN-RISCZKNCSA-N 2 2 315.377 0.304 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492717 771788315 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COCC#CC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204070121 772935821 /nfs/dbraw/zinc/93/58/21/772935821.db2.gz XYVFYBUVKCAANO-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1ccc(O)c(C#N)c1 ZINC001193519040 773076913 /nfs/dbraw/zinc/07/69/13/773076913.db2.gz NCTYZAFWVNCEQJ-UHFFFAOYSA-N 2 2 303.366 0.941 20 30 DCEDLP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194155963 773156399 /nfs/dbraw/zinc/15/63/99/773156399.db2.gz XFKLOFABDPVHRL-IRXDYDNUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194155963 773156400 /nfs/dbraw/zinc/15/64/00/773156400.db2.gz XFKLOFABDPVHRL-IRXDYDNUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194155965 773156624 /nfs/dbraw/zinc/15/66/24/773156624.db2.gz XFKLOFABDPVHRL-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194155965 773156627 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COc1cc(C#N)c(F)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219107665 774373582 /nfs/dbraw/zinc/37/35/82/774373582.db2.gz PDKSYWTUNAFYFP-HFAKWTLXSA-N 2 2 304.325 0.866 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001201857693 774558909 /nfs/dbraw/zinc/55/89/09/774558909.db2.gz WXRPPGGNJKRTOE-CYBMUJFWSA-N 2 2 304.394 0.528 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220057570 774684056 /nfs/dbraw/zinc/68/40/56/774684056.db2.gz BVODJCPMHIGDFS-CABCVRRESA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220057570 774684059 /nfs/dbraw/zinc/68/40/59/774684059.db2.gz BVODJCPMHIGDFS-CABCVRRESA-N 2 2 307.438 0.293 20 30 DCEDLP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757729 774909968 /nfs/dbraw/zinc/90/99/68/774909968.db2.gz UWMGLQZGVOHCFP-CVEARBPZSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 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DCEDLP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266546901 939158966 /nfs/dbraw/zinc/15/89/66/939158966.db2.gz ZEFZLHXXVVELBP-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266546901 939158968 /nfs/dbraw/zinc/15/89/68/939158968.db2.gz ZEFZLHXXVVELBP-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267048562 939323552 /nfs/dbraw/zinc/32/35/52/939323552.db2.gz XZFBMTQTUSRWIC-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267617569 939587024 /nfs/dbraw/zinc/58/70/24/939587024.db2.gz PYTMILBKDHHORZ-HUUCEWRRSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267617569 939587026 /nfs/dbraw/zinc/58/70/26/939587026.db2.gz PYTMILBKDHHORZ-HUUCEWRRSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267617569 939587028 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C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)O2 ZINC001484785707 943569998 /nfs/dbraw/zinc/56/99/98/943569998.db2.gz AJPLKIGOPOVUEG-HOTGVXAUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)O2 ZINC001484785707 943570000 /nfs/dbraw/zinc/57/00/00/943570000.db2.gz AJPLKIGOPOVUEG-HOTGVXAUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCN1CC[NH+](CCCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001485009070 943652154 /nfs/dbraw/zinc/65/21/54/943652154.db2.gz GQXWYJNFPZNWHG-UHFFFAOYSA-N 2 2 317.437 0.420 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001485406931 943925269 /nfs/dbraw/zinc/92/52/69/943925269.db2.gz HOEXETKYVQDURT-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001485406931 943925272 /nfs/dbraw/zinc/92/52/72/943925272.db2.gz HOEXETKYVQDURT-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210329334 944261449 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C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001319711801 945650786 /nfs/dbraw/zinc/65/07/86/945650786.db2.gz HWWVNUDMCUIVKI-GOEBONIOSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320240593 945783174 /nfs/dbraw/zinc/78/31/74/945783174.db2.gz ARSBGWOQBPPDDZ-UKRRQHHQSA-N 2 2 306.410 0.478 20 30 DCEDLP COC(=O)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001252436954 945927240 /nfs/dbraw/zinc/92/72/40/945927240.db2.gz NRCRAEMLSAABIL-INIZCTEOSA-N 2 2 317.389 0.646 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001278761466 946314092 /nfs/dbraw/zinc/31/40/92/946314092.db2.gz FMJKPGUKYOXQFT-OAHLLOKOSA-N 2 2 320.437 0.747 20 30 DCEDLP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001278795931 946411537 /nfs/dbraw/zinc/41/15/37/946411537.db2.gz UWODLZMPHQVJGP-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001278795931 946411549 /nfs/dbraw/zinc/41/15/49/946411549.db2.gz UWODLZMPHQVJGP-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001279029433 946751494 /nfs/dbraw/zinc/75/14/94/946751494.db2.gz CYSJYUZTMFJATR-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323241177 946991414 /nfs/dbraw/zinc/99/14/14/946991414.db2.gz GYRHBUBOHXDTSS-HNNXBMFYSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323241177 946991422 /nfs/dbraw/zinc/99/14/22/946991422.db2.gz GYRHBUBOHXDTSS-HNNXBMFYSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)no2)CC1 ZINC001323459577 947091839 /nfs/dbraw/zinc/09/18/39/947091839.db2.gz LVPSUEHBCSHFMP-HNNXBMFYSA-N 2 2 316.405 0.819 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cc(C)no2)CC1 ZINC001323459577 947091853 /nfs/dbraw/zinc/09/18/53/947091853.db2.gz LVPSUEHBCSHFMP-HNNXBMFYSA-N 2 2 316.405 0.819 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001325110674 947657171 /nfs/dbraw/zinc/65/71/71/947657171.db2.gz OAMUINYPUJQFQT-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001325110674 947657177 /nfs/dbraw/zinc/65/71/77/947657177.db2.gz OAMUINYPUJQFQT-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001326301252 948124268 /nfs/dbraw/zinc/12/42/68/948124268.db2.gz BBESDCFVVFTBMF-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP N#CCCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001326793563 948279931 /nfs/dbraw/zinc/27/99/31/948279931.db2.gz SBOBVVPNKGQFEW-AWEZNQCLSA-N 2 2 320.397 0.175 20 30 DCEDLP C=C[C@@H](O)C[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273884387 948657819 /nfs/dbraw/zinc/65/78/19/948657819.db2.gz HGCIIKKJRBHTIN-OAHLLOKOSA-N 2 2 318.421 0.782 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001273884960 948659204 /nfs/dbraw/zinc/65/92/04/948659204.db2.gz MDFFWFDZFOXWFJ-QGZVFWFLSA-N 2 2 319.405 0.762 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccon1 ZINC001328353855 948850469 /nfs/dbraw/zinc/85/04/69/948850469.db2.gz GSXSSDFSAQEPLG-ZFWWWQNUSA-N 2 2 304.394 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccon1 ZINC001328353855 948850474 /nfs/dbraw/zinc/85/04/74/948850474.db2.gz GSXSSDFSAQEPLG-ZFWWWQNUSA-N 2 2 304.394 0.757 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265231242 949471879 /nfs/dbraw/zinc/47/18/79/949471879.db2.gz UYXJPRBUPWJRTH-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265231242 949471891 /nfs/dbraw/zinc/47/18/91/949471891.db2.gz UYXJPRBUPWJRTH-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265231242 949471899 /nfs/dbraw/zinc/47/18/99/949471899.db2.gz UYXJPRBUPWJRTH-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265231242 949471909 /nfs/dbraw/zinc/47/19/09/949471909.db2.gz UYXJPRBUPWJRTH-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001265231244 949472881 /nfs/dbraw/zinc/47/28/81/949472881.db2.gz UYXJPRBUPWJRTH-LSDHHAIUSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265231244 949472896 /nfs/dbraw/zinc/47/28/96/949472896.db2.gz UYXJPRBUPWJRTH-LSDHHAIUSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265231244 949472908 /nfs/dbraw/zinc/47/29/08/949472908.db2.gz UYXJPRBUPWJRTH-LSDHHAIUSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265231244 949472921 /nfs/dbraw/zinc/47/29/21/949472921.db2.gz UYXJPRBUPWJRTH-LSDHHAIUSA-N 2 2 322.453 0.211 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001329625949 949724213 /nfs/dbraw/zinc/72/42/13/949724213.db2.gz ZLFGRSULPKMMMR-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001329625949 949724234 /nfs/dbraw/zinc/72/42/34/949724234.db2.gz ZLFGRSULPKMMMR-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001329625949 949724244 /nfs/dbraw/zinc/72/42/44/949724244.db2.gz ZLFGRSULPKMMMR-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001330160146 950157712 /nfs/dbraw/zinc/15/77/12/950157712.db2.gz LOACFRWPFNIFJH-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001330160146 950157736 /nfs/dbraw/zinc/15/77/36/950157736.db2.gz LOACFRWPFNIFJH-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001279520726 950612256 /nfs/dbraw/zinc/61/22/56/950612256.db2.gz ZQGMKQKALYCVTE-DOTOQJQBSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001279520726 950612272 /nfs/dbraw/zinc/61/22/72/950612272.db2.gz ZQGMKQKALYCVTE-DOTOQJQBSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCOC)C1 ZINC001490440150 950659789 /nfs/dbraw/zinc/65/97/89/950659789.db2.gz BKSXCQIKPJDPOJ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCOC)C1 ZINC001490440150 950659807 /nfs/dbraw/zinc/65/98/07/950659807.db2.gz BKSXCQIKPJDPOJ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOC)C1 ZINC001490440150 950659820 /nfs/dbraw/zinc/65/98/20/950659820.db2.gz BKSXCQIKPJDPOJ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOC)C1 ZINC001490440150 950659840 /nfs/dbraw/zinc/65/98/40/950659840.db2.gz BKSXCQIKPJDPOJ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001280600225 950976393 /nfs/dbraw/zinc/97/63/93/950976393.db2.gz FREIQRLQBHYOTQ-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001331293821 951061635 /nfs/dbraw/zinc/06/16/35/951061635.db2.gz GLSBFYGOUMRJKC-GDBMZVCRSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001281633866 951567935 /nfs/dbraw/zinc/56/79/35/951567935.db2.gz CKLOPDDDXHWANX-UHFFFAOYSA-N 2 2 320.437 0.872 20 30 DCEDLP C#CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001274575611 951710519 /nfs/dbraw/zinc/71/05/19/951710519.db2.gz GJYUWUFTLIQZGZ-INIZCTEOSA-N 2 2 300.362 0.692 20 30 DCEDLP C#CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001274575611 951710526 /nfs/dbraw/zinc/71/05/26/951710526.db2.gz GJYUWUFTLIQZGZ-INIZCTEOSA-N 2 2 300.362 0.692 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001280593426 951907988 /nfs/dbraw/zinc/90/79/88/951907988.db2.gz BDCTYEMGQMAOAL-HNNXBMFYSA-N 2 2 318.421 0.767 20 30 DCEDLP C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001338448565 953012893 /nfs/dbraw/zinc/01/28/93/953012893.db2.gz HYWNMOWYKZJZKW-CYBMUJFWSA-N 2 2 308.407 0.268 20 30 DCEDLP C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001338448565 953012899 /nfs/dbraw/zinc/01/28/99/953012899.db2.gz HYWNMOWYKZJZKW-CYBMUJFWSA-N 2 2 308.407 0.268 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001340986384 953206485 /nfs/dbraw/zinc/20/64/85/953206485.db2.gz ICPQNXFGJDGJTG-UONOGXRCSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCOc1cccnc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341057429 953208430 /nfs/dbraw/zinc/20/84/30/953208430.db2.gz SRLICPFFTWRQRE-UHFFFAOYSA-N 2 2 304.394 0.799 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001282523666 953615240 /nfs/dbraw/zinc/61/52/40/953615240.db2.gz RXMJXFVQEYYOGC-INIZCTEOSA-N 2 2 319.449 0.437 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001282523666 953615248 /nfs/dbraw/zinc/61/52/48/953615248.db2.gz RXMJXFVQEYYOGC-INIZCTEOSA-N 2 2 319.449 0.437 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317527361 960272520 /nfs/dbraw/zinc/27/25/20/960272520.db2.gz CEMUKFXSIGZBER-JKSUJKDBSA-N 2 2 318.421 0.922 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317527361 960272526 /nfs/dbraw/zinc/27/25/26/960272526.db2.gz CEMUKFXSIGZBER-JKSUJKDBSA-N 2 2 318.421 0.922 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001379939120 962339982 /nfs/dbraw/zinc/33/99/82/962339982.db2.gz QLFHUUAGJDZPOU-CYBMUJFWSA-N 2 2 314.817 0.695 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001379939120 962340001 /nfs/dbraw/zinc/34/00/01/962340001.db2.gz QLFHUUAGJDZPOU-CYBMUJFWSA-N 2 2 314.817 0.695 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001379204666 962355996 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/nfs/dbraw/zinc/09/45/77/1182094577.db2.gz BKUGJAUJIIZHJZ-MUBLQREKSA-N 2 2 301.818 0.722 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001716068733 1182172125 /nfs/dbraw/zinc/17/21/25/1182172125.db2.gz CYFDBBFYHWRYBD-HIFRSBDPSA-N 2 2 304.394 0.477 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001716402005 1182376057 /nfs/dbraw/zinc/37/60/57/1182376057.db2.gz ZJIORDDKGAQPRJ-ZIAGYGMSSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001717862041 1183038829 /nfs/dbraw/zinc/03/88/29/1183038829.db2.gz DVYACRRLGRVOTJ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001717862041 1183038834 /nfs/dbraw/zinc/03/88/34/1183038834.db2.gz DVYACRRLGRVOTJ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001717862041 1183038837 /nfs/dbraw/zinc/03/88/37/1183038837.db2.gz DVYACRRLGRVOTJ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001717862041 1183038841 /nfs/dbraw/zinc/03/88/41/1183038841.db2.gz DVYACRRLGRVOTJ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001723434853 1184305654 /nfs/dbraw/zinc/30/56/54/1184305654.db2.gz RGEKAEYHVPGYKY-MRXNPFEDSA-N 2 2 319.449 0.703 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001723434853 1184305659 /nfs/dbraw/zinc/30/56/59/1184305659.db2.gz RGEKAEYHVPGYKY-MRXNPFEDSA-N 2 2 319.449 0.703 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001724251608 1184404889 /nfs/dbraw/zinc/40/48/89/1184404889.db2.gz QGMSVXPGOBTQBW-MRXNPFEDSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001724604804 1184471487 /nfs/dbraw/zinc/47/14/87/1184471487.db2.gz YKJGBMZQLWOGEU-KGLIPLIRSA-N 2 2 306.410 0.839 20 30 DCEDLP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001724735756 1184540122 /nfs/dbraw/zinc/54/01/22/1184540122.db2.gz CVAQGUZBOYMMEZ-QGZVFWFLSA-N 2 2 315.417 0.698 20 30 DCEDLP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001724735756 1184540128 /nfs/dbraw/zinc/54/01/28/1184540128.db2.gz CVAQGUZBOYMMEZ-QGZVFWFLSA-N 2 2 315.417 0.698 20 30 DCEDLP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001724735756 1184540133 /nfs/dbraw/zinc/54/01/33/1184540133.db2.gz CVAQGUZBOYMMEZ-QGZVFWFLSA-N 2 2 315.417 0.698 20 30 DCEDLP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001724735756 1184540138 /nfs/dbraw/zinc/54/01/38/1184540138.db2.gz CVAQGUZBOYMMEZ-QGZVFWFLSA-N 2 2 315.417 0.698 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001724884772 1184607929 /nfs/dbraw/zinc/60/79/29/1184607929.db2.gz VSZBIIRRLMLVRJ-LSDHHAIUSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001724884772 1184607931 /nfs/dbraw/zinc/60/79/31/1184607931.db2.gz VSZBIIRRLMLVRJ-LSDHHAIUSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001724912186 1184616815 /nfs/dbraw/zinc/61/68/15/1184616815.db2.gz SJAISXINVLZGSI-INIZCTEOSA-N 2 2 304.394 0.240 20 30 DCEDLP C=CCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001724915066 1184618194 /nfs/dbraw/zinc/61/81/94/1184618194.db2.gz JBEOLVQCQMMZHX-CQSZACIVSA-N 2 2 311.426 0.148 20 30 DCEDLP C=CCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001724915066 1184618197 /nfs/dbraw/zinc/61/81/97/1184618197.db2.gz JBEOLVQCQMMZHX-CQSZACIVSA-N 2 2 311.426 0.148 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC(C)C)C1 ZINC001725202838 1184722356 /nfs/dbraw/zinc/72/23/56/1184722356.db2.gz XACBDANKQPNKHL-HNNXBMFYSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC(C)C)C1 ZINC001725202838 1184722360 /nfs/dbraw/zinc/72/23/60/1184722360.db2.gz XACBDANKQPNKHL-HNNXBMFYSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725723538 1184975740 /nfs/dbraw/zinc/97/57/40/1184975740.db2.gz OHTJOIAQIDJEIB-ZDUSSCGKSA-N 2 2 306.410 0.462 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001725723538 1184975744 /nfs/dbraw/zinc/97/57/44/1184975744.db2.gz OHTJOIAQIDJEIB-ZDUSSCGKSA-N 2 2 306.410 0.462 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001731459089 1185342592 /nfs/dbraw/zinc/34/25/92/1185342592.db2.gz ULADYCPCDSASSE-JHJVBQTASA-N 2 2 319.409 0.188 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1snnc1C ZINC001731596876 1185404088 /nfs/dbraw/zinc/40/40/88/1185404088.db2.gz ACRWCSSJKMDLAY-YPMHNXCESA-N 2 2 321.450 0.538 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1snnc1C ZINC001731596876 1185404098 /nfs/dbraw/zinc/40/40/98/1185404098.db2.gz ACRWCSSJKMDLAY-YPMHNXCESA-N 2 2 321.450 0.538 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccon1 ZINC001731728632 1185460392 /nfs/dbraw/zinc/46/03/92/1185460392.db2.gz GSXSSDFSAQEPLG-HIFRSBDPSA-N 2 2 304.394 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccon1 ZINC001731728632 1185460395 /nfs/dbraw/zinc/46/03/95/1185460395.db2.gz GSXSSDFSAQEPLG-HIFRSBDPSA-N 2 2 304.394 0.757 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@@H](CC)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001732216895 1185739353 /nfs/dbraw/zinc/73/93/53/1185739353.db2.gz GPBNQFGTVXJKMA-STQMWFEESA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001732450097 1185822088 /nfs/dbraw/zinc/82/20/88/1185822088.db2.gz SHTGXKMVKVEAIM-CHWSQXEVSA-N 2 2 321.425 0.090 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733080787 1186128715 /nfs/dbraw/zinc/12/87/15/1186128715.db2.gz WZXVBLAGFULQKG-GDBMZVCRSA-N 2 2 318.421 0.867 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC#CCOC)CC[N@@H+]1C ZINC001733210366 1186181233 /nfs/dbraw/zinc/18/12/33/1186181233.db2.gz IMVHHGUHXMEOIW-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2CC#CCOC)CC[N@H+]1C ZINC001733210366 1186181236 /nfs/dbraw/zinc/18/12/36/1186181236.db2.gz IMVHHGUHXMEOIW-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC#CCOC)CC[NH+]1C ZINC001733210366 1186181239 /nfs/dbraw/zinc/18/12/39/1186181239.db2.gz IMVHHGUHXMEOIW-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC#CCOC)CC[NH+]1C ZINC001733210366 1186181241 /nfs/dbraw/zinc/18/12/41/1186181241.db2.gz IMVHHGUHXMEOIW-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001733248407 1186200817 /nfs/dbraw/zinc/20/08/17/1186200817.db2.gz SVBXWPIRWVQYRW-UHFFFAOYSA-N 2 2 320.393 0.238 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733260122 1186206113 /nfs/dbraw/zinc/20/61/13/1186206113.db2.gz JWNXWNXUOJTWLE-ZDUSSCGKSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001733404429 1186257992 /nfs/dbraw/zinc/25/79/92/1186257992.db2.gz QHPZMRGAKPDZSZ-KRWDZBQOSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001733404429 1186257998 /nfs/dbraw/zinc/25/79/98/1186257998.db2.gz QHPZMRGAKPDZSZ-KRWDZBQOSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001734039177 1186527496 /nfs/dbraw/zinc/52/74/96/1186527496.db2.gz WTJXZCHBZZNTOV-DOMZBBRYSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001734039177 1186527498 /nfs/dbraw/zinc/52/74/98/1186527498.db2.gz WTJXZCHBZZNTOV-DOMZBBRYSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001734039177 1186527502 /nfs/dbraw/zinc/52/75/02/1186527502.db2.gz WTJXZCHBZZNTOV-DOMZBBRYSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@H+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001734039177 1186527506 /nfs/dbraw/zinc/52/75/06/1186527506.db2.gz WTJXZCHBZZNTOV-DOMZBBRYSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001734183865 1186571889 /nfs/dbraw/zinc/57/18/89/1186571889.db2.gz MDXHIOGQKYLKRH-HIFRSBDPSA-N 2 2 312.373 0.787 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752392059 1188420082 /nfs/dbraw/zinc/42/00/82/1188420082.db2.gz UQXIAUQDZGMHCO-CYBMUJFWSA-N 2 2 322.409 0.743 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752392059 1188420085 /nfs/dbraw/zinc/42/00/85/1188420085.db2.gz UQXIAUQDZGMHCO-CYBMUJFWSA-N 2 2 322.409 0.743 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001752470694 1188424212 /nfs/dbraw/zinc/42/42/12/1188424212.db2.gz ICAQOHGSFQTYFD-CABCVRRESA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001752577648 1188428084 /nfs/dbraw/zinc/42/80/84/1188428084.db2.gz 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ZINC001070994831 761567085 /nfs/dbraw/zinc/56/70/85/761567085.db2.gz FNAUGBPFLGFIRD-UHFFFAOYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071223429 761719021 /nfs/dbraw/zinc/71/90/21/761719021.db2.gz NUGGQTUWAAUCAZ-XJKSGUPXSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071223429 761719028 /nfs/dbraw/zinc/71/90/28/761719028.db2.gz NUGGQTUWAAUCAZ-XJKSGUPXSA-N 2 2 304.394 0.830 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001129770270 763007584 /nfs/dbraw/zinc/00/75/84/763007584.db2.gz DGLXTUWSPXJRDJ-ZFWWWQNUSA-N 2 2 301.394 0.341 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001129770270 763007592 /nfs/dbraw/zinc/00/75/92/763007592.db2.gz DGLXTUWSPXJRDJ-ZFWWWQNUSA-N 2 2 301.394 0.341 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cnc(C)cn1 ZINC001129771467 763008259 /nfs/dbraw/zinc/00/82/59/763008259.db2.gz XYGJYHTXBXBZJL-ZBFHGGJFSA-N 2 2 315.421 0.649 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cnc(C)cn1 ZINC001129771467 763008260 /nfs/dbraw/zinc/00/82/60/763008260.db2.gz XYGJYHTXBXBZJL-ZBFHGGJFSA-N 2 2 315.421 0.649 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879612 763095680 /nfs/dbraw/zinc/09/56/80/763095680.db2.gz MYOVBRGDEHJNBM-KBPBESRZSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879612 763095692 /nfs/dbraw/zinc/09/56/92/763095692.db2.gz MYOVBRGDEHJNBM-KBPBESRZSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879612 763095697 /nfs/dbraw/zinc/09/56/97/763095697.db2.gz MYOVBRGDEHJNBM-KBPBESRZSA-N 2 2 315.845 0.775 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139081 763346462 /nfs/dbraw/zinc/34/64/62/763346462.db2.gz NZLQBCNLGZQATI-LSDHHAIUSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139081 763346470 /nfs/dbraw/zinc/34/64/70/763346470.db2.gz NZLQBCNLGZQATI-LSDHHAIUSA-N 2 2 306.410 0.791 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798532 768136928 /nfs/dbraw/zinc/13/69/28/768136928.db2.gz ZMNMGNVPBKMRHI-RKVPGOIHSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798532 768136931 /nfs/dbraw/zinc/13/69/31/768136931.db2.gz ZMNMGNVPBKMRHI-RKVPGOIHSA-N 2 2 312.417 0.859 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550691 763648786 /nfs/dbraw/zinc/64/87/86/763648786.db2.gz XNHFGLNEBDNXCO-UHFFFAOYSA-N 2 2 319.409 0.060 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131273085 763720782 /nfs/dbraw/zinc/72/07/82/763720782.db2.gz FKZJBJHGESGQRR-GFCCVEGCSA-N 2 2 315.377 0.344 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205349 764551317 /nfs/dbraw/zinc/55/13/17/764551317.db2.gz XTLFGTACHTXSES-HZPDHXFCSA-N 2 2 318.421 0.607 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205349 764551324 /nfs/dbraw/zinc/55/13/24/764551324.db2.gz XTLFGTACHTXSES-HZPDHXFCSA-N 2 2 318.421 0.607 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090517926 765451061 /nfs/dbraw/zinc/45/10/61/765451061.db2.gz ACRVKHQUZRENCD-CABCVRRESA-N 2 2 319.405 0.530 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090517926 765451067 /nfs/dbraw/zinc/45/10/67/765451067.db2.gz ACRVKHQUZRENCD-CABCVRRESA-N 2 2 319.405 0.530 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545440 765562545 /nfs/dbraw/zinc/56/25/45/765562545.db2.gz OUNXGHLEPHTAPH-OLZOCXBDSA-N 2 2 321.425 0.517 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545440 765562550 /nfs/dbraw/zinc/56/25/50/765562550.db2.gz OUNXGHLEPHTAPH-OLZOCXBDSA-N 2 2 321.425 0.517 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488235 765883926 /nfs/dbraw/zinc/88/39/26/765883926.db2.gz NDYZVPPAORVEOR-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488235 765883934 /nfs/dbraw/zinc/88/39/34/765883934.db2.gz NDYZVPPAORVEOR-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815848 766628558 /nfs/dbraw/zinc/62/85/58/766628558.db2.gz OFMLWBIWNHTBBG-OLZOCXBDSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815848 766628566 /nfs/dbraw/zinc/62/85/66/766628566.db2.gz OFMLWBIWNHTBBG-OLZOCXBDSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815850 766629160 /nfs/dbraw/zinc/62/91/60/766629160.db2.gz OFMLWBIWNHTBBG-STQMWFEESA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815850 766629164 /nfs/dbraw/zinc/62/91/64/766629164.db2.gz OFMLWBIWNHTBBG-STQMWFEESA-N 2 2 301.818 0.386 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146519306 767471104 /nfs/dbraw/zinc/47/11/04/767471104.db2.gz JQUWHSMONPFASO-UHFFFAOYSA-N 2 2 313.361 0.237 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814822 769424299 /nfs/dbraw/zinc/42/42/99/769424299.db2.gz MODXHCBXWKNBNI-HNNXBMFYSA-N 2 2 311.426 0.006 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234392533 769645530 /nfs/dbraw/zinc/64/55/30/769645530.db2.gz MEUKKHZQHGPYGR-QLFBSQMISA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234392533 769645533 /nfs/dbraw/zinc/64/55/33/769645533.db2.gz MEUKKHZQHGPYGR-QLFBSQMISA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234392533 769645536 /nfs/dbraw/zinc/64/55/36/769645536.db2.gz MEUKKHZQHGPYGR-QLFBSQMISA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234392533 769645539 /nfs/dbraw/zinc/64/55/39/769645539.db2.gz MEUKKHZQHGPYGR-QLFBSQMISA-N 2 2 322.453 0.162 20 30 DCEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462238 770045026 /nfs/dbraw/zinc/04/50/26/770045026.db2.gz GXBYWMNGKQHYKM-CQSZACIVSA-N 2 2 301.394 0.595 20 30 DCEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462238 770045039 /nfs/dbraw/zinc/04/50/39/770045039.db2.gz GXBYWMNGKQHYKM-CQSZACIVSA-N 2 2 301.394 0.595 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351547 770425247 /nfs/dbraw/zinc/42/52/47/770425247.db2.gz HPJLYVMUKUSJTN-AWEZNQCLSA-N 2 2 321.425 0.450 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)C1=O ZINC001157264125 771569923 /nfs/dbraw/zinc/56/99/23/771569923.db2.gz DOEWSVCUHFLHKA-ZDUSSCGKSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001183732014 771695177 /nfs/dbraw/zinc/69/51/77/771695177.db2.gz YALDPWSWDLNBTB-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP COc1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158258893 771748211 /nfs/dbraw/zinc/74/82/11/771748211.db2.gz LPVQAXBZOQATHO-GFCCVEGCSA-N 2 2 301.394 0.964 20 30 DCEDLP COc1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1C#N ZINC001158258893 771748216 /nfs/dbraw/zinc/74/82/16/771748216.db2.gz LPVQAXBZOQATHO-GFCCVEGCSA-N 2 2 301.394 0.964 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccc(C)n1 ZINC001160197644 772007577 /nfs/dbraw/zinc/00/75/77/772007577.db2.gz BODRMQOYVGPUMF-HNNXBMFYSA-N 2 2 315.421 0.479 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nccc(C)n1 ZINC001160197644 772007584 /nfs/dbraw/zinc/00/75/84/772007584.db2.gz BODRMQOYVGPUMF-HNNXBMFYSA-N 2 2 315.421 0.479 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001160432490 772036593 /nfs/dbraw/zinc/03/65/93/772036593.db2.gz XUKLVUJTPVUWHM-HZPDHXFCSA-N 2 2 306.454 0.391 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)(COC)CC1 ZINC001162382494 772367011 /nfs/dbraw/zinc/36/70/11/772367011.db2.gz DNVZPVZUQHYYHI-UHFFFAOYSA-N 2 2 318.421 0.751 20 30 DCEDLP C#CCC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC001203138809 772746925 /nfs/dbraw/zinc/74/69/25/772746925.db2.gz RFQOZXJCGGEWMA-UHFFFAOYSA-N 2 2 319.449 0.845 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102332 773005069 /nfs/dbraw/zinc/00/50/69/773005069.db2.gz HRSHTKBSMHNNRS-RRFJBIMHSA-N 2 2 318.421 0.581 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102332 773005073 /nfs/dbraw/zinc/00/50/73/773005073.db2.gz HRSHTKBSMHNNRS-RRFJBIMHSA-N 2 2 318.421 0.581 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872548 773116887 /nfs/dbraw/zinc/11/68/87/773116887.db2.gz JNWJUJQVUYPUEM-UHFFFAOYSA-N 2 2 318.421 0.441 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196221844 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AOYUFDVKCVFMHW-YRGRVCCFSA-N 2 2 319.409 0.079 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201610988 774532242 /nfs/dbraw/zinc/53/22/42/774532242.db2.gz BVKATYYVPQAYJQ-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201610988 774532244 /nfs/dbraw/zinc/53/22/44/774532244.db2.gz BVKATYYVPQAYJQ-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@@H]1O ZINC001219821550 774620015 /nfs/dbraw/zinc/62/00/15/774620015.db2.gz QHUZRAZDUCDMHA-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@@H]1O ZINC001219821550 774620020 /nfs/dbraw/zinc/62/00/20/774620020.db2.gz QHUZRAZDUCDMHA-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@@H]1O ZINC001219821550 774620026 /nfs/dbraw/zinc/62/00/26/774620026.db2.gz QHUZRAZDUCDMHA-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP 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PCUHOCWGXMMFSH-GASCZTMLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001267257138 939405015 /nfs/dbraw/zinc/40/50/15/939405015.db2.gz PCUHOCWGXMMFSH-GASCZTMLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001267257138 939405018 /nfs/dbraw/zinc/40/50/18/939405018.db2.gz PCUHOCWGXMMFSH-GASCZTMLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001267257138 939405022 /nfs/dbraw/zinc/40/50/22/939405022.db2.gz PCUHOCWGXMMFSH-GASCZTMLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC001267614796 939574510 /nfs/dbraw/zinc/57/45/10/939574510.db2.gz ACDLPZUTGCXLHZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC[C@@H](C)O)C1 ZINC001267614796 939574511 /nfs/dbraw/zinc/57/45/11/939574511.db2.gz ACDLPZUTGCXLHZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC[C@@H](C)O)C1 ZINC001267614796 939574513 /nfs/dbraw/zinc/57/45/13/939574513.db2.gz ACDLPZUTGCXLHZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC[C@@H](C)O)C1 ZINC001267614796 939574514 /nfs/dbraw/zinc/57/45/14/939574514.db2.gz ACDLPZUTGCXLHZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268024210 939747647 /nfs/dbraw/zinc/74/76/47/939747647.db2.gz AGWBZSCQZLGROZ-CABCVRRESA-N 2 2 313.417 0.507 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268024210 939747652 /nfs/dbraw/zinc/74/76/52/939747652.db2.gz AGWBZSCQZLGROZ-CABCVRRESA-N 2 2 313.417 0.507 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268237425 940000499 /nfs/dbraw/zinc/00/04/99/940000499.db2.gz PBXODEGGCXRQFX-ZIAGYGMSSA-N 2 2 310.442 0.019 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268237425 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COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329473975 949622770 /nfs/dbraw/zinc/62/27/70/949622770.db2.gz GHSAJCYHDDSAQM-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001330366032 950312461 /nfs/dbraw/zinc/31/24/61/950312461.db2.gz SAOJZLGLOXHTMM-PHZGNYQRSA-N 2 2 300.406 0.981 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001330366032 950312480 /nfs/dbraw/zinc/31/24/80/950312480.db2.gz SAOJZLGLOXHTMM-PHZGNYQRSA-N 2 2 300.406 0.981 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266152107 950426717 /nfs/dbraw/zinc/42/67/17/950426717.db2.gz KOUPRQUSWQMPJV-BFHYXJOUSA-N 2 2 304.394 0.647 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266152107 950426728 /nfs/dbraw/zinc/42/67/28/950426728.db2.gz KOUPRQUSWQMPJV-BFHYXJOUSA-N 2 2 304.394 0.647 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001280600603 950978812 /nfs/dbraw/zinc/97/88/12/950978812.db2.gz HQFRVQSVKOYISR-KGLIPLIRSA-N 2 2 304.394 0.449 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281431215 951496689 /nfs/dbraw/zinc/49/66/89/951496689.db2.gz WTRNDYUEYVZNDC-GJZGRUSLSA-N 2 2 306.410 0.912 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281634199 951568207 /nfs/dbraw/zinc/56/82/07/951568207.db2.gz IRFBQHPHCQMENG-CQSZACIVSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281634199 951568213 /nfs/dbraw/zinc/56/82/13/951568213.db2.gz IRFBQHPHCQMENG-CQSZACIVSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281634197 951568673 /nfs/dbraw/zinc/56/86/73/951568673.db2.gz IRFBQHPHCQMENG-AWEZNQCLSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281634197 951568679 /nfs/dbraw/zinc/56/86/79/951568679.db2.gz IRFBQHPHCQMENG-AWEZNQCLSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001281721864 951609125 /nfs/dbraw/zinc/60/91/25/951609125.db2.gz ICDDCHWRVSYWTM-JSGCOSHPSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001281721864 951609132 /nfs/dbraw/zinc/60/91/32/951609132.db2.gz ICDDCHWRVSYWTM-JSGCOSHPSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001333676612 952130865 /nfs/dbraw/zinc/13/08/65/952130865.db2.gz DYPXWNDXKSPUHE-JKSUJKDBSA-N 2 2 320.437 0.200 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001333676612 952130871 /nfs/dbraw/zinc/13/08/71/952130871.db2.gz DYPXWNDXKSPUHE-JKSUJKDBSA-N 2 2 320.437 0.200 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[N@H+](C)C3)n2C)CC1 ZINC001339837042 953122640 /nfs/dbraw/zinc/12/26/40/953122640.db2.gz CAOXLOQHRJTWIT-CQSZACIVSA-N 2 2 302.426 0.380 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[N@@H+](C)C3)n2C)CC1 ZINC001339837042 953122641 /nfs/dbraw/zinc/12/26/41/953122641.db2.gz CAOXLOQHRJTWIT-CQSZACIVSA-N 2 2 302.426 0.380 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001282911599 953753489 /nfs/dbraw/zinc/75/34/89/953753489.db2.gz MKHSYNSUPPZHNU-SWLSCSKDSA-N 2 2 320.393 0.189 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001282915536 953757847 /nfs/dbraw/zinc/75/78/47/953757847.db2.gz OYVKRTFFDHOIHA-HUUCEWRRSA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001282924412 953772811 /nfs/dbraw/zinc/77/28/11/953772811.db2.gz JMFJZTJOVOWCGU-DZGCQCFKSA-N 2 2 322.409 0.360 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283091869 953998895 /nfs/dbraw/zinc/99/88/95/953998895.db2.gz JZYXAANMMWTUFL-JHJVBQTASA-N 2 2 319.409 0.127 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC001347853812 954173532 /nfs/dbraw/zinc/17/35/32/954173532.db2.gz PAWUDYGJJFZSQS-HRCADAONSA-N 2 2 321.469 0.018 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001284130366 954871084 /nfs/dbraw/zinc/87/10/84/954871084.db2.gz KZBCHBRLBZBMQC-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001284130366 954871097 /nfs/dbraw/zinc/87/10/97/954871097.db2.gz KZBCHBRLBZBMQC-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284219503 954936657 /nfs/dbraw/zinc/93/66/57/954936657.db2.gz JVYOZFRXKRGASL-STQMWFEESA-N 2 2 319.409 0.129 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284425580 955081342 /nfs/dbraw/zinc/08/13/42/955081342.db2.gz RYXGOKRLJQIJBV-BFHYXJOUSA-N 2 2 306.410 0.888 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284425580 955081347 /nfs/dbraw/zinc/08/13/47/955081347.db2.gz RYXGOKRLJQIJBV-BFHYXJOUSA-N 2 2 306.410 0.888 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001284501390 955135787 /nfs/dbraw/zinc/13/57/87/955135787.db2.gz CXMUBFAFDFDREH-HIFRSBDPSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001284501390 955135794 /nfs/dbraw/zinc/13/57/94/955135794.db2.gz CXMUBFAFDFDREH-HIFRSBDPSA-N 2 2 306.410 0.383 20 30 DCEDLP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001377182330 959642191 /nfs/dbraw/zinc/64/21/91/959642191.db2.gz XWCIUYLYGCKAGK-CQSZACIVSA-N 2 2 312.801 0.579 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001380171725 962822677 /nfs/dbraw/zinc/82/26/77/962822677.db2.gz XNBYJFMGHBOCPD-GFCCVEGCSA-N 2 2 315.845 0.946 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001380741883 963539459 /nfs/dbraw/zinc/53/94/59/963539459.db2.gz BUVGKPMDZTUVSZ-CQSZACIVSA-N 2 2 303.834 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001380741883 963539467 /nfs/dbraw/zinc/53/94/67/963539467.db2.gz BUVGKPMDZTUVSZ-CQSZACIVSA-N 2 2 303.834 0.634 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001507329594 1016257541 /nfs/dbraw/zinc/25/75/41/1016257541.db2.gz WDNNFNVPYHEFPC-LSDHHAIUSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001506126722 1017047575 /nfs/dbraw/zinc/04/75/75/1017047575.db2.gz MHTWYNZATRWECW-UHFFFAOYSA-N 2 2 309.454 0.847 20 30 DCEDLP C=CC[N@@H+](C)CCN(CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC001475477443 1017110705 /nfs/dbraw/zinc/11/07/05/1017110705.db2.gz YVCZMQANXSUYSR-UHFFFAOYSA-N 2 2 300.428 0.653 20 30 DCEDLP C=CC[N@H+](C)CCN(CC)S(=O)(=O)CCn1cc[nH+]c1 ZINC001475477443 1017110712 /nfs/dbraw/zinc/11/07/12/1017110712.db2.gz YVCZMQANXSUYSR-UHFFFAOYSA-N 2 2 300.428 0.653 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001506845326 1017607371 /nfs/dbraw/zinc/60/73/71/1017607371.db2.gz RQKMQCQSUBNZBS-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001506851436 1017614083 /nfs/dbraw/zinc/61/40/83/1017614083.db2.gz HVFZIIWIFNGPGC-STQMWFEESA-N 2 2 312.801 0.841 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497283351 1018016688 /nfs/dbraw/zinc/01/66/88/1018016688.db2.gz NMOKKGADESNCOL-HUUCEWRRSA-N 2 2 306.410 0.968 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497418688 1018125692 /nfs/dbraw/zinc/12/56/92/1018125692.db2.gz SNMGJHSSBZHZDZ-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001480035090 1018143970 /nfs/dbraw/zinc/14/39/70/1018143970.db2.gz DAXIFVUJIZKPPL-OAHLLOKOSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001500019114 1018174763 /nfs/dbraw/zinc/17/47/63/1018174763.db2.gz WWOSHASIENMRDH-OAHLLOKOSA-N 2 2 316.405 0.504 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001480333558 1018439916 /nfs/dbraw/zinc/43/99/16/1018439916.db2.gz ZRNNTPGEKUZDQT-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001480333558 1018439926 /nfs/dbraw/zinc/43/99/26/1018439926.db2.gz ZRNNTPGEKUZDQT-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001500946434 1018751031 /nfs/dbraw/zinc/75/10/31/1018751031.db2.gz KKYLMWHYXGUROZ-UHFFFAOYSA-N 2 2 315.417 0.548 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001501070472 1018856604 /nfs/dbraw/zinc/85/66/04/1018856604.db2.gz GJXUPOAOPQBWHR-CHWSQXEVSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001501070475 1018856972 /nfs/dbraw/zinc/85/69/72/1018856972.db2.gz GJXUPOAOPQBWHR-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001498781259 1019422736 /nfs/dbraw/zinc/42/27/36/1019422736.db2.gz ABJCFRAUQGUMOM-ZBFHGGJFSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001494101529 1019984712 /nfs/dbraw/zinc/98/47/12/1019984712.db2.gz CNILQZOMHMPZPR-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001494101529 1019984720 /nfs/dbraw/zinc/98/47/20/1019984720.db2.gz CNILQZOMHMPZPR-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP CNC(NCc1cccc(OCC[NH+]2CCOCC2)c1)=[NH+]C ZINC000264116416 529836539 /nfs/dbraw/zinc/83/65/39/529836539.db2.gz SSROAARCQAMZCH-UHFFFAOYSA-N 2 2 306.410 0.692 20 30 DCEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)NCCC[NH+]1CCOCC1 ZINC000170905266 237130712 /nfs/dbraw/zinc/13/07/12/237130712.db2.gz VHYFHASMGYNBPG-UHFFFAOYSA-N 3 2 320.441 0.510 20 30 DCEDLP C[C@@H]1C[NH+]=C(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)N1 ZINC000262669559 238178753 /nfs/dbraw/zinc/17/87/53/238178753.db2.gz QJQXYBCEKYSWCX-CYBMUJFWSA-N 2 2 305.401 0.885 20 30 DCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCS(C)(=O)=O)cc1 ZINC000267031790 238214716 /nfs/dbraw/zinc/21/47/16/238214716.db2.gz VKWRTLKBJZHCNT-UHFFFAOYSA-N 2 2 313.423 0.820 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000080911769 396288033 /nfs/dbraw/zinc/28/80/33/396288033.db2.gz ZFMMCQSYWGAYID-KRWDZBQOSA-N 2 2 319.449 0.655 20 30 DCEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)C[C@H](C)O1 ZINC000580701787 396494432 /nfs/dbraw/zinc/49/44/32/396494432.db2.gz UZCACSVFVKXPPR-XHSDSOJGSA-N 2 2 312.458 0.282 20 30 DCEDLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)C[C@H](C)O1 ZINC000580701787 396494436 /nfs/dbraw/zinc/49/44/36/396494436.db2.gz UZCACSVFVKXPPR-XHSDSOJGSA-N 2 2 312.458 0.282 20 30 DCEDLP CN(c1ccc(C#N)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611571853 396888890 /nfs/dbraw/zinc/88/88/90/396888890.db2.gz UKPPKTWDGQXUCR-HNNXBMFYSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1ccc(C#N)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611571853 396888893 /nfs/dbraw/zinc/88/88/93/396888893.db2.gz UKPPKTWDGQXUCR-HNNXBMFYSA-N 2 2 300.410 0.953 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004406 415527684 /nfs/dbraw/zinc/52/76/84/415527684.db2.gz ZOHRNADFPMGQCD-CYBMUJFWSA-N 2 2 319.409 0.686 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004406 415527690 /nfs/dbraw/zinc/52/76/90/415527690.db2.gz ZOHRNADFPMGQCD-CYBMUJFWSA-N 2 2 319.409 0.686 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154011275 415989277 /nfs/dbraw/zinc/98/92/77/415989277.db2.gz HVFYSSDGVLSFTB-ZACQAIPSSA-N 2 2 320.481 0.615 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350910 416418562 /nfs/dbraw/zinc/41/85/62/416418562.db2.gz IJXXRLNMPPXDOY-STQMWFEESA-N 2 2 311.451 0.903 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350910 416418564 /nfs/dbraw/zinc/41/85/64/416418564.db2.gz IJXXRLNMPPXDOY-STQMWFEESA-N 2 2 311.451 0.903 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000491638737 416608580 /nfs/dbraw/zinc/60/85/80/416608580.db2.gz WDFGRPSJEFLZDQ-NUEKZKHPSA-N 2 2 305.422 0.167 20 30 DCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000424154710 416617938 /nfs/dbraw/zinc/61/79/38/416617938.db2.gz LTQCZKXCARQPPR-HUUCEWRRSA-N 2 2 308.426 0.721 20 30 DCEDLP C=CCCn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nn1 ZINC000657304138 417845814 /nfs/dbraw/zinc/84/58/14/417845814.db2.gz JEVMCXNKARQXRM-UHFFFAOYSA-N 2 2 306.458 0.970 20 30 DCEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000662168079 418386372 /nfs/dbraw/zinc/38/63/72/418386372.db2.gz SMZYMTKEINMZNC-CQSZACIVSA-N 2 2 309.435 0.529 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CCC[C@@H]2C)CC1 ZINC000491484921 333108564 /nfs/dbraw/zinc/10/85/64/333108564.db2.gz LRQUTLVXIGRZHD-DLBZAZTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CCC[C@@H]2C)CC1 ZINC000491484921 333108565 /nfs/dbraw/zinc/10/85/65/333108565.db2.gz LRQUTLVXIGRZHD-DLBZAZTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001569893197 1161299691 /nfs/dbraw/zinc/29/96/91/1161299691.db2.gz CACQXSRMVAESQY-DOTOQJQBSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001569893197 1161299697 /nfs/dbraw/zinc/29/96/97/1161299697.db2.gz CACQXSRMVAESQY-DOTOQJQBSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001569893197 1161299702 /nfs/dbraw/zinc/29/97/02/1161299702.db2.gz CACQXSRMVAESQY-DOTOQJQBSA-N 2 2 307.438 0.436 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)NC[C@]1(C)CCCO1 ZINC000179086640 526358560 /nfs/dbraw/zinc/35/85/60/526358560.db2.gz HZWAGAZXCWRCOJ-INIZCTEOSA-N 2 2 312.458 0.831 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)NC[C@]1(C)CCCO1 ZINC000179086640 526358566 /nfs/dbraw/zinc/35/85/66/526358566.db2.gz HZWAGAZXCWRCOJ-INIZCTEOSA-N 2 2 312.458 0.831 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376188926 526922389 /nfs/dbraw/zinc/92/23/89/526922389.db2.gz ROPOYNGJVKVKRO-WBVHZDCISA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC000978933480 660632304 /nfs/dbraw/zinc/63/23/04/660632304.db2.gz NUGUGVZBRSGUTJ-PHZGNYQRSA-N 2 2 321.384 0.808 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(-n4cc[nH+]c4)ccn3)[C@@H]2C1 ZINC000978933480 660632306 /nfs/dbraw/zinc/63/23/06/660632306.db2.gz NUGUGVZBRSGUTJ-PHZGNYQRSA-N 2 2 321.384 0.808 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000970425959 657490492 /nfs/dbraw/zinc/49/04/92/657490492.db2.gz CLWGYOPJSWWGAG-ZDUSSCGKSA-N 2 2 316.405 0.954 20 30 DCEDLP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972314353 658554920 /nfs/dbraw/zinc/55/49/20/658554920.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972314353 658554924 /nfs/dbraw/zinc/55/49/24/658554924.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972314353 658554931 /nfs/dbraw/zinc/55/49/31/658554931.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972314353 658554937 /nfs/dbraw/zinc/55/49/37/658554937.db2.gz CNQMLFZKVJOMGI-WBVHZDCISA-N 2 2 323.437 0.196 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411015 658735371 /nfs/dbraw/zinc/73/53/71/658735371.db2.gz VTKNHKDVPSLWBZ-DOTOQJQBSA-N 2 2 307.438 0.816 20 30 DCEDLP N#Cc1ccc(NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000925892867 661393843 /nfs/dbraw/zinc/39/38/43/661393843.db2.gz GUXSXAOMCLRUOS-GOEBONIOSA-N 2 2 301.394 0.722 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639352 661712249 /nfs/dbraw/zinc/71/22/49/661712249.db2.gz WSKPKRCQGDGKEU-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639352 661712250 /nfs/dbraw/zinc/71/22/50/661712250.db2.gz WSKPKRCQGDGKEU-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001000358551 665825773 /nfs/dbraw/zinc/82/57/73/665825773.db2.gz VOVBWBAAPCXXPF-INIZCTEOSA-N 2 2 319.449 0.845 20 30 DCEDLP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988874298 662869147 /nfs/dbraw/zinc/86/91/47/662869147.db2.gz JDZCOPGBZHJXMW-UONOGXRCSA-N 2 2 300.406 0.974 20 30 DCEDLP C#CC[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000876787 665957230 /nfs/dbraw/zinc/95/72/30/665957230.db2.gz VDGQABPYBKUYMF-UHFFFAOYSA-N 2 2 302.378 0.731 20 30 DCEDLP C#CC[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000876787 665957233 /nfs/dbraw/zinc/95/72/33/665957233.db2.gz VDGQABPYBKUYMF-UHFFFAOYSA-N 2 2 302.378 0.731 20 30 DCEDLP N#C[C@]12C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1CS(=O)(=O)C2 ZINC000904429090 663513083 /nfs/dbraw/zinc/51/30/83/663513083.db2.gz WKPLBZSTHOHORD-SCXOTVEISA-N 2 2 309.435 0.387 20 30 DCEDLP N#C[C@]12C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1CS(=O)(=O)C2 ZINC000904429090 663513085 /nfs/dbraw/zinc/51/30/85/663513085.db2.gz WKPLBZSTHOHORD-SCXOTVEISA-N 2 2 309.435 0.387 20 30 DCEDLP C=CCC[NH+]1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941392133 665985264 /nfs/dbraw/zinc/98/52/64/665985264.db2.gz UGNCDBPNIYWMSG-UHFFFAOYSA-N 2 2 317.437 0.747 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]OC[C@@H]3CCOC3)cn2)CC1 ZINC000788035316 664862724 /nfs/dbraw/zinc/86/27/24/664862724.db2.gz ZIRFWCHCWMTQNX-CYBMUJFWSA-N 2 2 305.382 0.615 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431624 665996645 /nfs/dbraw/zinc/99/66/45/665996645.db2.gz QUMRQAXVALJEBQ-KRWDZBQOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431624 665996647 /nfs/dbraw/zinc/99/66/47/665996647.db2.gz QUMRQAXVALJEBQ-KRWDZBQOSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941460034 666000402 /nfs/dbraw/zinc/00/04/02/666000402.db2.gz MJRYDEYHSNUPJQ-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941460034 666000404 /nfs/dbraw/zinc/00/04/04/666000404.db2.gz MJRYDEYHSNUPJQ-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000941567032 666023597 /nfs/dbraw/zinc/02/35/97/666023597.db2.gz OXLHZFCJPCUSFL-WBVHZDCISA-N 2 2 318.465 0.036 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941567032 666023598 /nfs/dbraw/zinc/02/35/98/666023598.db2.gz OXLHZFCJPCUSFL-WBVHZDCISA-N 2 2 318.465 0.036 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691416113 1157668054 /nfs/dbraw/zinc/66/80/54/1157668054.db2.gz DGRWRPRVHWUEBR-GJZGRUSLSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691416113 1157668057 /nfs/dbraw/zinc/66/80/57/1157668057.db2.gz DGRWRPRVHWUEBR-GJZGRUSLSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691416113 1157668059 /nfs/dbraw/zinc/66/80/59/1157668059.db2.gz DGRWRPRVHWUEBR-GJZGRUSLSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691416113 1157668063 /nfs/dbraw/zinc/66/80/63/1157668063.db2.gz DGRWRPRVHWUEBR-GJZGRUSLSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035417541 667338738 /nfs/dbraw/zinc/33/87/38/667338738.db2.gz VMUWVCICLHCWOK-OAHLLOKOSA-N 2 2 307.438 0.865 20 30 DCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035417541 667338740 /nfs/dbraw/zinc/33/87/40/667338740.db2.gz VMUWVCICLHCWOK-OAHLLOKOSA-N 2 2 307.438 0.865 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CC2 ZINC001035776226 667411608 /nfs/dbraw/zinc/41/16/08/667411608.db2.gz NDLCUHAWBNJDEJ-MRXNPFEDSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CC2 ZINC001035776226 667411609 /nfs/dbraw/zinc/41/16/09/667411609.db2.gz NDLCUHAWBNJDEJ-MRXNPFEDSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239309 667507819 /nfs/dbraw/zinc/50/78/19/667507819.db2.gz RQESFLKUYJVNPU-IHRRRGAJSA-N 2 2 309.410 0.424 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000884395161 667537169 /nfs/dbraw/zinc/53/71/69/667537169.db2.gz VYMMYCVVBKYGSK-GJZGRUSLSA-N 2 2 323.437 0.671 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559504 667562617 /nfs/dbraw/zinc/56/26/17/667562617.db2.gz GVEACUQGRDCRFR-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559504 667562619 /nfs/dbraw/zinc/56/26/19/667562619.db2.gz GVEACUQGRDCRFR-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000890364716 668121022 /nfs/dbraw/zinc/12/10/22/668121022.db2.gz HAPDLHRNZRQXFL-HNNXBMFYSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000890364716 668121023 /nfs/dbraw/zinc/12/10/23/668121023.db2.gz HAPDLHRNZRQXFL-HNNXBMFYSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000890364716 668121025 /nfs/dbraw/zinc/12/10/25/668121025.db2.gz HAPDLHRNZRQXFL-HNNXBMFYSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000890364716 668121026 /nfs/dbraw/zinc/12/10/26/668121026.db2.gz HAPDLHRNZRQXFL-HNNXBMFYSA-N 2 2 322.453 0.182 20 30 DCEDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000931484878 669211458 /nfs/dbraw/zinc/21/14/58/669211458.db2.gz ZCHORRTUZSEBDG-UHFFFAOYSA-N 2 2 316.405 0.885 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC000949236003 670293603 /nfs/dbraw/zinc/29/36/03/670293603.db2.gz FBKBKMVPGUPQMS-UHFFFAOYSA-N 2 2 316.405 0.587 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949414824 670337165 /nfs/dbraw/zinc/33/71/65/670337165.db2.gz HFEINLQILNWLSE-UHFFFAOYSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000949414824 670337169 /nfs/dbraw/zinc/33/71/69/670337169.db2.gz HFEINLQILNWLSE-UHFFFAOYSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852359242 671121917 /nfs/dbraw/zinc/12/19/17/671121917.db2.gz FTGRYUSSHXFZSV-HNNXBMFYSA-N 2 2 308.426 0.058 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852359242 671121921 /nfs/dbraw/zinc/12/19/21/671121921.db2.gz FTGRYUSSHXFZSV-HNNXBMFYSA-N 2 2 308.426 0.058 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCOC3(C)C)cn2)CC1 ZINC000835017002 671786673 /nfs/dbraw/zinc/78/66/73/671786673.db2.gz JJFKHISIVOGURJ-CQSZACIVSA-N 2 2 318.425 0.719 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958258756 687488272 /nfs/dbraw/zinc/48/82/72/687488272.db2.gz VUXWNIOXYOJGHJ-HIFRSBDPSA-N 2 2 312.373 0.380 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958258756 687488277 /nfs/dbraw/zinc/48/82/77/687488277.db2.gz VUXWNIOXYOJGHJ-HIFRSBDPSA-N 2 2 312.373 0.380 20 30 DCEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960255435 688336304 /nfs/dbraw/zinc/33/63/04/688336304.db2.gz JHOGHUOAHPOJFG-BRWVUGGUSA-N 2 2 313.401 0.322 20 30 DCEDLP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960255435 688336306 /nfs/dbraw/zinc/33/63/06/688336306.db2.gz JHOGHUOAHPOJFG-BRWVUGGUSA-N 2 2 313.401 0.322 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000961913522 688768021 /nfs/dbraw/zinc/76/80/21/688768021.db2.gz MOEURNBWCVKHHZ-ZSHCYNCHSA-N 2 2 319.449 0.864 20 30 DCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+]2CCOCC2)CCCC1 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20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053799440 756211432 /nfs/dbraw/zinc/21/14/32/756211432.db2.gz UWWFXLZAOCOKAP-HOTGVXAUSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053799440 756211435 /nfs/dbraw/zinc/21/14/35/756211435.db2.gz UWWFXLZAOCOKAP-HOTGVXAUSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053799441 756211481 /nfs/dbraw/zinc/21/14/81/756211481.db2.gz UWWFXLZAOCOKAP-HZPDHXFCSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053799441 756211483 /nfs/dbraw/zinc/21/14/83/756211483.db2.gz UWWFXLZAOCOKAP-HZPDHXFCSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001080471003 756221369 /nfs/dbraw/zinc/22/13/69/756221369.db2.gz JODHIUWCIPXRJF-KBUPBQIOSA-N 2 2 300.406 0.983 20 30 DCEDLP 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756817770 /nfs/dbraw/zinc/81/77/70/756817770.db2.gz OEULJSSOHIPILQ-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC)C[C@H]1OC ZINC001081811237 756817778 /nfs/dbraw/zinc/81/77/78/756817778.db2.gz OEULJSSOHIPILQ-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241500 756979830 /nfs/dbraw/zinc/97/98/30/756979830.db2.gz VGEGFZICWSTOOC-IAGOWNOFSA-N 2 2 315.417 0.810 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241500 756979837 /nfs/dbraw/zinc/97/98/37/756979837.db2.gz VGEGFZICWSTOOC-IAGOWNOFSA-N 2 2 315.417 0.810 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384054 757090794 /nfs/dbraw/zinc/09/07/94/757090794.db2.gz AMHGPYVMOHZKSV-IAGOWNOFSA-N 2 2 315.417 0.810 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384054 757090803 /nfs/dbraw/zinc/09/08/03/757090803.db2.gz 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C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050987490 758334475 /nfs/dbraw/zinc/33/44/75/758334475.db2.gz QBVNZRVQAULYCY-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050987490 758334485 /nfs/dbraw/zinc/33/44/85/758334485.db2.gz QBVNZRVQAULYCY-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098387701 759086402 /nfs/dbraw/zinc/08/64/02/759086402.db2.gz DOGLEEATGSDURL-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098387701 759086378 /nfs/dbraw/zinc/08/63/78/759086378.db2.gz DOGLEEATGSDURL-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098387701 759086387 /nfs/dbraw/zinc/08/63/87/759086387.db2.gz DOGLEEATGSDURL-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098387701 759086395 /nfs/dbraw/zinc/08/63/95/759086395.db2.gz DOGLEEATGSDURL-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216087 759408021 /nfs/dbraw/zinc/40/80/21/759408021.db2.gz QWRHOKJVAFASLT-RDJZCZTQSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216087 759408026 /nfs/dbraw/zinc/40/80/26/759408026.db2.gz QWRHOKJVAFASLT-RDJZCZTQSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216087 759408031 /nfs/dbraw/zinc/40/80/31/759408031.db2.gz QWRHOKJVAFASLT-RDJZCZTQSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001108216087 759408037 /nfs/dbraw/zinc/40/80/37/759408037.db2.gz QWRHOKJVAFASLT-RDJZCZTQSA-N 2 2 307.438 0.559 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083708 760186353 /nfs/dbraw/zinc/18/63/53/760186353.db2.gz VSVFJHPJDPJZKQ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083708 760186354 /nfs/dbraw/zinc/18/63/54/760186354.db2.gz VSVFJHPJDPJZKQ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083708 760186358 /nfs/dbraw/zinc/18/63/58/760186358.db2.gz VSVFJHPJDPJZKQ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083708 760186359 /nfs/dbraw/zinc/18/63/59/760186359.db2.gz VSVFJHPJDPJZKQ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP COC(=O)c1cc(C#N)ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072168 760571164 /nfs/dbraw/zinc/57/11/64/760571164.db2.gz JUMVWOJFQIYTCU-LLVKDONJSA-N 2 2 300.318 0.393 20 30 DCEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071245983 761736184 /nfs/dbraw/zinc/73/61/84/761736184.db2.gz MUFOVZFAQTYSSU-ZBFHGGJFSA-N 2 2 304.394 0.761 20 30 DCEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071245983 761736186 /nfs/dbraw/zinc/73/61/86/761736186.db2.gz MUFOVZFAQTYSSU-ZBFHGGJFSA-N 2 2 304.394 0.761 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098762596 762726842 /nfs/dbraw/zinc/72/68/42/762726842.db2.gz OENDUBVWIDLIEL-OAHLLOKOSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001098762596 762726844 /nfs/dbraw/zinc/72/68/44/762726844.db2.gz OENDUBVWIDLIEL-OAHLLOKOSA-N 2 2 318.425 0.116 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871647 763090703 /nfs/dbraw/zinc/09/07/03/763090703.db2.gz INKZWBWZXNOKFI-LSDHHAIUSA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871647 763090706 /nfs/dbraw/zinc/09/07/06/763090706.db2.gz INKZWBWZXNOKFI-LSDHHAIUSA-N 2 2 322.409 0.096 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927939 763131611 /nfs/dbraw/zinc/13/16/11/763131611.db2.gz GNZARSSRLZIRNE-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927939 763131617 /nfs/dbraw/zinc/13/16/17/763131617.db2.gz GNZARSSRLZIRNE-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100063689 763270917 /nfs/dbraw/zinc/27/09/17/763270917.db2.gz BGDSNAPPRLPLAJ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100063689 763270925 /nfs/dbraw/zinc/27/09/25/763270925.db2.gz BGDSNAPPRLPLAJ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063689 763270926 /nfs/dbraw/zinc/27/09/26/763270926.db2.gz BGDSNAPPRLPLAJ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063689 763270934 /nfs/dbraw/zinc/27/09/34/763270934.db2.gz BGDSNAPPRLPLAJ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795067 768136362 /nfs/dbraw/zinc/13/63/62/768136362.db2.gz IROSZLIRFQACMM-DAYGRLMNSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795067 768136369 /nfs/dbraw/zinc/13/63/69/768136369.db2.gz IROSZLIRFQACMM-DAYGRLMNSA-N 2 2 312.417 0.859 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131378617 763789440 /nfs/dbraw/zinc/78/94/40/763789440.db2.gz HSMXEGMIRJZGRA-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001131378617 763789443 /nfs/dbraw/zinc/78/94/43/763789443.db2.gz HSMXEGMIRJZGRA-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=C(Br)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639198 763909381 /nfs/dbraw/zinc/90/93/81/763909381.db2.gz BOZXTEMYWALXCY-UHFFFAOYSA-N 2 2 315.215 0.967 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1nccn12 ZINC001101652844 764221691 /nfs/dbraw/zinc/22/16/91/764221691.db2.gz TXWSYMQIMLQZTD-CQSZACIVSA-N 2 2 317.437 0.981 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C(C)C)c1nccn12 ZINC001101652844 764221699 /nfs/dbraw/zinc/22/16/99/764221699.db2.gz TXWSYMQIMLQZTD-CQSZACIVSA-N 2 2 317.437 0.981 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519197 764487485 /nfs/dbraw/zinc/48/74/85/764487485.db2.gz UXPSZZZJTOBWIP-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132519197 764487490 /nfs/dbraw/zinc/48/74/90/764487490.db2.gz UXPSZZZJTOBWIP-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519197 764487494 /nfs/dbraw/zinc/48/74/94/764487494.db2.gz UXPSZZZJTOBWIP-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519197 764487498 /nfs/dbraw/zinc/48/74/98/764487498.db2.gz UXPSZZZJTOBWIP-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255782 764899464 /nfs/dbraw/zinc/89/94/64/764899464.db2.gz YYJOBVZNAROBGF-AWEZNQCLSA-N 2 2 307.398 0.129 20 30 DCEDLP C=C(C)CC[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255782 764899469 /nfs/dbraw/zinc/89/94/69/764899469.db2.gz YYJOBVZNAROBGF-AWEZNQCLSA-N 2 2 307.398 0.129 20 30 DCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399571 765505538 /nfs/dbraw/zinc/50/55/38/765505538.db2.gz DMTGEOXYJVSBEG-CYBMUJFWSA-N 2 2 321.425 0.471 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055363 765777697 /nfs/dbraw/zinc/77/76/97/765777697.db2.gz DDIKEGGFPVAJGN-GJZGRUSLSA-N 2 2 320.437 0.875 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735525 765942588 /nfs/dbraw/zinc/94/25/88/765942588.db2.gz ANXPUGXORFYNGC-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540504 766302028 /nfs/dbraw/zinc/30/20/28/766302028.db2.gz PGFFUTVKIKBYAZ-ZIAGYGMSSA-N 2 2 315.845 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090540504 766302035 /nfs/dbraw/zinc/30/20/35/766302035.db2.gz PGFFUTVKIKBYAZ-ZIAGYGMSSA-N 2 2 315.845 0.632 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146779301 767521270 /nfs/dbraw/zinc/52/12/70/767521270.db2.gz NHSRRBMJFVTETD-QWHCGFSZSA-N 2 2 307.398 0.058 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753682 768386318 /nfs/dbraw/zinc/38/63/18/768386318.db2.gz RAIBKAHELRJIFN-CHWSQXEVSA-N 2 2 304.394 0.667 20 30 DCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753682 768386324 /nfs/dbraw/zinc/38/63/24/768386324.db2.gz RAIBKAHELRJIFN-CHWSQXEVSA-N 2 2 304.394 0.667 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012001 768925604 /nfs/dbraw/zinc/92/56/04/768925604.db2.gz DXWICOYWRLRTRO-HNNXBMFYSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012001 768925608 /nfs/dbraw/zinc/92/56/08/768925608.db2.gz DXWICOYWRLRTRO-HNNXBMFYSA-N 2 2 318.421 0.583 20 30 DCEDLP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)C(=O)NO ZINC001172249163 769465766 /nfs/dbraw/zinc/46/57/66/769465766.db2.gz DWFSWIFSZDOQIN-JSGCOSHPSA-N 2 2 301.431 0.997 20 30 DCEDLP N#Cc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001153487764 769828017 /nfs/dbraw/zinc/82/80/17/769828017.db2.gz NNGQEENLAVHPNJ-UHFFFAOYSA-N 2 2 301.325 0.800 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589443 769903137 /nfs/dbraw/zinc/90/31/37/769903137.db2.gz RXQUYLVGNTXQLE-HOTGVXAUSA-N 2 2 309.454 0.755 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235589443 769903144 /nfs/dbraw/zinc/90/31/44/769903144.db2.gz RXQUYLVGNTXQLE-HOTGVXAUSA-N 2 2 309.454 0.755 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932856 770897641 /nfs/dbraw/zinc/89/76/41/770897641.db2.gz XKKRNRXJKHONSR-YJNKXOJESA-N 2 2 316.405 0.742 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932856 770897652 /nfs/dbraw/zinc/89/76/52/770897652.db2.gz XKKRNRXJKHONSR-YJNKXOJESA-N 2 2 316.405 0.742 20 30 DCEDLP C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159653156 771939656 /nfs/dbraw/zinc/93/96/56/771939656.db2.gz PJARZKJGAQFKAZ-GRDNDAEWSA-N 2 2 320.437 0.093 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1csnn1 ZINC001160209461 772009006 /nfs/dbraw/zinc/00/90/06/772009006.db2.gz LJEIEKXGXWNMSW-JSGCOSHPSA-N 2 2 321.450 0.793 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1csnn1 ZINC001160209461 772009011 /nfs/dbraw/zinc/00/90/11/772009011.db2.gz LJEIEKXGXWNMSW-JSGCOSHPSA-N 2 2 321.450 0.793 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187092215 772135531 /nfs/dbraw/zinc/13/55/31/772135531.db2.gz RIVMXLGEVDNVCO-CYBMUJFWSA-N 2 2 304.394 0.528 20 30 DCEDLP N#Cc1c(NCC[NH+]2CCC([NH3+])CC2)ncc2c1CCC[NH2+]C2 ZINC001161867416 772291424 /nfs/dbraw/zinc/29/14/24/772291424.db2.gz QLOOWGROUYEQMW-UHFFFAOYSA-N 3 2 314.437 0.824 20 30 DCEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165732332 772758402 /nfs/dbraw/zinc/75/84/02/772758402.db2.gz YZCVCRXKPMGRKG-HNNXBMFYSA-N 2 2 321.425 0.519 20 30 DCEDLP C=C(C)CC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165732332 772758404 /nfs/dbraw/zinc/75/84/04/772758404.db2.gz YZCVCRXKPMGRKG-HNNXBMFYSA-N 2 2 321.425 0.519 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195275771 773362688 /nfs/dbraw/zinc/36/26/88/773362688.db2.gz UTQBZLICRRJANB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001195275771 773362691 /nfs/dbraw/zinc/36/26/91/773362691.db2.gz UTQBZLICRRJANB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001195275771 773362694 /nfs/dbraw/zinc/36/26/94/773362694.db2.gz UTQBZLICRRJANB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001195275771 773362696 /nfs/dbraw/zinc/36/26/96/773362696.db2.gz UTQBZLICRRJANB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[N@@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417611 773597766 /nfs/dbraw/zinc/59/77/66/773597766.db2.gz XJTUUBGBWJXCJP-UHFFFAOYSA-N 2 2 319.449 0.799 20 30 DCEDLP COCC#CC[N@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417611 773597768 /nfs/dbraw/zinc/59/77/68/773597768.db2.gz XJTUUBGBWJXCJP-UHFFFAOYSA-N 2 2 319.449 0.799 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218049160 774209534 /nfs/dbraw/zinc/20/95/34/774209534.db2.gz PHIUMJJKLWROIC-QLFBSQMISA-N 2 2 313.417 0.764 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218049160 774209536 /nfs/dbraw/zinc/20/95/36/774209536.db2.gz PHIUMJJKLWROIC-QLFBSQMISA-N 2 2 313.417 0.764 20 30 DCEDLP C#Cc1cnc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c(C#C)n1 ZINC001218657196 774274894 /nfs/dbraw/zinc/27/48/94/774274894.db2.gz DNLPTLJBCMZJQP-AWEZNQCLSA-N 2 2 305.341 0.650 20 30 DCEDLP CC(=O)Nc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1C#N ZINC001218914786 774326244 /nfs/dbraw/zinc/32/62/44/774326244.db2.gz FLLBHHZHVRZKPL-UHFFFAOYSA-N 2 2 301.350 0.536 20 30 DCEDLP CC(=O)Nc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1C#N ZINC001218915604 774326492 /nfs/dbraw/zinc/32/64/92/774326492.db2.gz QVERXEPPQZFXQX-UHFFFAOYSA-N 2 2 315.377 0.797 20 30 DCEDLP CNC(=O)c1cc(C#N)cc(C)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219161581 774395350 /nfs/dbraw/zinc/39/53/50/774395350.db2.gz MAIVIOBMCFCQKP-UHFFFAOYSA-N 2 2 315.377 0.246 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC001200831144 774414170 /nfs/dbraw/zinc/41/41/70/774414170.db2.gz KDTKUZNNBRLLDX-ZBFHGGJFSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC001200840907 774415396 /nfs/dbraw/zinc/41/53/96/774415396.db2.gz KTMMQMCBUDASAZ-GOEBONIOSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162606 775013892 /nfs/dbraw/zinc/01/38/92/775013892.db2.gz BQGSRVMHUATIDI-SJORKVTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162606 775013899 /nfs/dbraw/zinc/01/38/99/775013899.db2.gz BQGSRVMHUATIDI-SJORKVTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162606 775013907 /nfs/dbraw/zinc/01/39/07/775013907.db2.gz BQGSRVMHUATIDI-SJORKVTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162606 775013912 /nfs/dbraw/zinc/01/39/12/775013912.db2.gz BQGSRVMHUATIDI-SJORKVTESA-N 2 2 315.417 0.303 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411007 775847319 /nfs/dbraw/zinc/84/73/19/775847319.db2.gz DOFLOZDUDRETGJ-VQHPVUNQSA-N 2 2 319.449 0.700 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411007 775847331 /nfs/dbraw/zinc/84/73/31/775847331.db2.gz DOFLOZDUDRETGJ-VQHPVUNQSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306158 939062386 /nfs/dbraw/zinc/06/23/86/939062386.db2.gz FMHSQQOYRLGBKS-CQSZACIVSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306158 939062389 /nfs/dbraw/zinc/06/23/89/939062389.db2.gz FMHSQQOYRLGBKS-CQSZACIVSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266332781 939079392 /nfs/dbraw/zinc/07/93/92/939079392.db2.gz YZKHGSWPCQNXSO-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001266332781 939079393 /nfs/dbraw/zinc/07/93/93/939079393.db2.gz YZKHGSWPCQNXSO-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266332781 939079398 /nfs/dbraw/zinc/07/93/98/939079398.db2.gz YZKHGSWPCQNXSO-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001266332781 939079399 /nfs/dbraw/zinc/07/93/99/939079399.db2.gz YZKHGSWPCQNXSO-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C=C(C)C[NH2+]C1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001279453531 939176094 /nfs/dbraw/zinc/17/60/94/939176094.db2.gz LKNLMKYHAFUEPH-UHFFFAOYSA-N 2 2 319.453 0.709 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001266989531 939299531 /nfs/dbraw/zinc/29/95/31/939299531.db2.gz ZVFHCFVYGXUFBT-UHFFFAOYSA-N 2 2 315.215 0.919 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267067357 939329691 /nfs/dbraw/zinc/32/96/91/939329691.db2.gz OZUKRAIDCRWZEA-CQSZACIVSA-N 2 2 304.394 0.349 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)n(C)n1 ZINC001481241245 939661965 /nfs/dbraw/zinc/66/19/65/939661965.db2.gz QFGLJIARLQZTHF-INIZCTEOSA-N 2 2 317.437 0.374 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)n(C)n1 ZINC001481241245 939661966 /nfs/dbraw/zinc/66/19/66/939661966.db2.gz QFGLJIARLQZTHF-INIZCTEOSA-N 2 2 317.437 0.374 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOCC)C1 ZINC001269250184 940661871 /nfs/dbraw/zinc/66/18/71/940661871.db2.gz AIKHZHZETRECPJ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOCC)C1 ZINC001269250184 940661872 /nfs/dbraw/zinc/66/18/72/940661872.db2.gz AIKHZHZETRECPJ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOCC)C1 ZINC001269250184 940661876 /nfs/dbraw/zinc/66/18/76/940661876.db2.gz AIKHZHZETRECPJ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001271188828 941319284 /nfs/dbraw/zinc/31/92/84/941319284.db2.gz ICLNCQXRYOWBST-YPMHNXCESA-N 2 2 321.425 0.388 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271201354 941321284 /nfs/dbraw/zinc/32/12/84/941321284.db2.gz QACFCXUKYNSJIX-XJKSGUPXSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271201354 941321288 /nfs/dbraw/zinc/32/12/88/941321288.db2.gz QACFCXUKYNSJIX-XJKSGUPXSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271201354 941321291 /nfs/dbraw/zinc/32/12/91/941321291.db2.gz QACFCXUKYNSJIX-XJKSGUPXSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271201354 941321295 /nfs/dbraw/zinc/32/12/95/941321295.db2.gz QACFCXUKYNSJIX-XJKSGUPXSA-N 2 2 304.394 0.165 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228590 941328775 /nfs/dbraw/zinc/32/87/75/941328775.db2.gz NITUXNIASZFOCZ-GDBMZVCRSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228590 941328778 /nfs/dbraw/zinc/32/87/78/941328778.db2.gz NITUXNIASZFOCZ-GDBMZVCRSA-N 2 2 306.410 0.791 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483142349 941906288 /nfs/dbraw/zinc/90/62/88/941906288.db2.gz SKOYQUOOAYIMGI-ZIAGYGMSSA-N 2 2 304.394 0.190 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668697 942448968 /nfs/dbraw/zinc/44/89/68/942448968.db2.gz BRXDWHVTPIWSFV-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668697 942448974 /nfs/dbraw/zinc/44/89/74/942448974.db2.gz BRXDWHVTPIWSFV-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001483991784 943068409 /nfs/dbraw/zinc/06/84/09/943068409.db2.gz DXGPPHYEUBWZQD-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCOCC1 ZINC001484185218 943183162 /nfs/dbraw/zinc/18/31/62/943183162.db2.gz IFMCXSQWRYHACI-UHFFFAOYSA-N 2 2 317.389 0.521 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484222103 943217166 /nfs/dbraw/zinc/21/71/66/943217166.db2.gz BCEWXLKQDYHEGG-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484222103 943217169 /nfs/dbraw/zinc/21/71/69/943217169.db2.gz BCEWXLKQDYHEGG-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484960833 943638735 /nfs/dbraw/zinc/63/87/35/943638735.db2.gz GRDWLMUVMBJQJB-ZDUSSCGKSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484960833 943638739 /nfs/dbraw/zinc/63/87/39/943638739.db2.gz GRDWLMUVMBJQJB-ZDUSSCGKSA-N 2 2 306.410 0.717 20 30 DCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001491462648 944018301 /nfs/dbraw/zinc/01/83/01/944018301.db2.gz JVMNXFLSYWBKON-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001491462648 944018305 /nfs/dbraw/zinc/01/83/05/944018305.db2.gz JVMNXFLSYWBKON-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001485817572 944171326 /nfs/dbraw/zinc/17/13/26/944171326.db2.gz TZQWXILNCPNBMO-CABCVRRESA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001276589682 944225240 /nfs/dbraw/zinc/22/52/40/944225240.db2.gz RWYKDAROHIUTFM-JKSUJKDBSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001276589682 944225246 /nfs/dbraw/zinc/22/52/46/944225246.db2.gz RWYKDAROHIUTFM-JKSUJKDBSA-N 2 2 315.421 0.908 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317039561 944751134 /nfs/dbraw/zinc/75/11/34/944751134.db2.gz LOMNRGFZXHNFKF-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317039561 944751144 /nfs/dbraw/zinc/75/11/44/944751144.db2.gz LOMNRGFZXHNFKF-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnsn2)CC1 ZINC001317293515 944902014 /nfs/dbraw/zinc/90/20/14/944902014.db2.gz GXXBKAOLCZUQSP-LBPRGKRZSA-N 2 2 321.450 0.478 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317357461 944938586 /nfs/dbraw/zinc/93/85/86/944938586.db2.gz IYUQUOGUYMIVMZ-OLZOCXBDSA-N 2 2 319.409 0.271 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317366155 944941674 /nfs/dbraw/zinc/94/16/74/944941674.db2.gz NEXIGFRKKDPJKW-ZIAGYGMSSA-N 2 2 319.409 0.202 20 30 DCEDLP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252596080 945967613 /nfs/dbraw/zinc/96/76/13/945967613.db2.gz NWGCAFSCARYEKD-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252596080 945967616 /nfs/dbraw/zinc/96/76/16/945967616.db2.gz NWGCAFSCARYEKD-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001278677449 945988839 /nfs/dbraw/zinc/98/88/39/945988839.db2.gz PFUQNGDUUOUEMS-GFCCVEGCSA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001278704685 946099644 /nfs/dbraw/zinc/09/96/44/946099644.db2.gz SUBZRTJUTYXNPD-JQWIXIFHSA-N 2 2 314.311 0.812 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCC=C)C1 ZINC001278786358 946397796 /nfs/dbraw/zinc/39/77/96/946397796.db2.gz AXKSXGYYGROVAW-RDJZCZTQSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCC=C)C1 ZINC001278786358 946397808 /nfs/dbraw/zinc/39/78/08/946397808.db2.gz AXKSXGYYGROVAW-RDJZCZTQSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCC=C)C1 ZINC001278786358 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COCC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317527360 960272564 /nfs/dbraw/zinc/27/25/64/960272564.db2.gz CEMUKFXSIGZBER-HZPDHXFCSA-N 2 2 318.421 0.922 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317527360 960272575 /nfs/dbraw/zinc/27/25/75/960272575.db2.gz CEMUKFXSIGZBER-HZPDHXFCSA-N 2 2 318.421 0.922 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001502756404 1016056954 /nfs/dbraw/zinc/05/69/54/1016056954.db2.gz DEXVOAGDMUCCMP-HOCLYGCPSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001507447272 1016334196 /nfs/dbraw/zinc/33/41/96/1016334196.db2.gz MZEQHJDDWMYHAN-ZDUSSCGKSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507504594 1016428236 /nfs/dbraw/zinc/42/82/36/1016428236.db2.gz BULMPBPQYMBPDY-RRFJBIMHSA-N 2 2 320.437 0.899 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001406325312 1003605270 /nfs/dbraw/zinc/60/52/70/1003605270.db2.gz UUMCGBXDQMAJTH-LLVKDONJSA-N 2 2 319.390 0.083 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)n1C ZINC001417636749 1005857279 /nfs/dbraw/zinc/85/72/79/1005857279.db2.gz SKLJBZYOCFSVTI-UHFFFAOYSA-N 2 2 317.437 0.995 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)n1C ZINC001417636749 1005857281 /nfs/dbraw/zinc/85/72/81/1005857281.db2.gz SKLJBZYOCFSVTI-UHFFFAOYSA-N 2 2 317.437 0.995 20 30 DCEDLP C=CCCC[NH+]1CC(CCO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001506121635 1017043237 /nfs/dbraw/zinc/04/32/37/1017043237.db2.gz FDQPZNNNFMFUGU-UHFFFAOYSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(Cl)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001440570339 1007895938 /nfs/dbraw/zinc/89/59/38/1007895938.db2.gz DQXMSKDSRPVEAC-UHFFFAOYSA-N 2 2 312.801 0.960 20 30 DCEDLP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001440575334 1007897870 /nfs/dbraw/zinc/89/78/70/1007897870.db2.gz GCZADEWYDMIGMJ-UHFFFAOYSA-N 2 2 312.801 0.891 20 30 DCEDLP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479657673 1017635877 /nfs/dbraw/zinc/63/58/77/1017635877.db2.gz MRSUZOKAVUQYKN-JKSUJKDBSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479657673 1017635883 /nfs/dbraw/zinc/63/58/83/1017635883.db2.gz MRSUZOKAVUQYKN-JKSUJKDBSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001506975277 1017726108 /nfs/dbraw/zinc/72/61/08/1017726108.db2.gz JWVIXSVYSWNJML-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001506975277 1017726121 /nfs/dbraw/zinc/72/61/21/1017726121.db2.gz JWVIXSVYSWNJML-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480239670 1018353331 /nfs/dbraw/zinc/35/33/31/1018353331.db2.gz NMWBCTOAWXGAHG-GASCZTMLSA-N 2 2 304.394 0.550 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000491616014 241125648 /nfs/dbraw/zinc/12/56/48/241125648.db2.gz HTKUTLJHASZGSS-RHSMWYFYSA-N 2 2 307.438 0.557 20 30 DCEDLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595275155 396576570 /nfs/dbraw/zinc/57/65/70/396576570.db2.gz IBGATAWCXMFTIQ-AWEZNQCLSA-N 2 2 315.421 0.993 20 30 DCEDLP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595978004 396702330 /nfs/dbraw/zinc/70/23/30/396702330.db2.gz RPMXPKWSYYDYKU-CVEARBPZSA-N 3 2 321.469 0.634 20 30 DCEDLP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595978004 396702331 /nfs/dbraw/zinc/70/23/31/396702331.db2.gz RPMXPKWSYYDYKU-CVEARBPZSA-N 3 2 321.469 0.634 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000611031889 396809690 /nfs/dbraw/zinc/80/96/90/396809690.db2.gz XCFFERHXNDVIBK-ZDUSSCGKSA-N 2 2 301.394 0.785 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000611031889 396809692 /nfs/dbraw/zinc/80/96/92/396809692.db2.gz XCFFERHXNDVIBK-ZDUSSCGKSA-N 2 2 301.394 0.785 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258105 397765374 /nfs/dbraw/zinc/76/53/74/397765374.db2.gz MARGCUJHBATBHQ-STQMWFEESA-N 2 2 305.382 0.920 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258105 397765376 /nfs/dbraw/zinc/76/53/76/397765376.db2.gz MARGCUJHBATBHQ-STQMWFEESA-N 2 2 305.382 0.920 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000609571791 397782476 /nfs/dbraw/zinc/78/24/76/397782476.db2.gz KDLSBTXCYIEZCE-AWEZNQCLSA-N 2 2 313.405 0.852 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C#N)cn3)C2)CC1 ZINC000609571791 397782483 /nfs/dbraw/zinc/78/24/83/397782483.db2.gz KDLSBTXCYIEZCE-AWEZNQCLSA-N 2 2 313.405 0.852 20 30 DCEDLP CCCC[NH+](CC#CC[N@@H+](CCCC)CC(N)=O)CC(N)=O ZINC000278786645 415488478 /nfs/dbraw/zinc/48/84/78/415488478.db2.gz ZXXMRRBRIDFJTO-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP CCCC[NH+](CC#CC[N@H+](CCCC)CC(N)=O)CC(N)=O ZINC000278786645 415488484 /nfs/dbraw/zinc/48/84/84/415488484.db2.gz ZXXMRRBRIDFJTO-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343967910 415803884 /nfs/dbraw/zinc/80/38/84/415803884.db2.gz CKTCMPXHIMLZCB-OWCLPIDISA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343967910 415803889 /nfs/dbraw/zinc/80/38/89/415803889.db2.gz CKTCMPXHIMLZCB-OWCLPIDISA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337168513 415920382 /nfs/dbraw/zinc/92/03/82/415920382.db2.gz BOFMXAOWJBFHMN-NVXWUHKLSA-N 2 2 320.481 0.874 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337168513 415920384 /nfs/dbraw/zinc/92/03/84/415920384.db2.gz BOFMXAOWJBFHMN-NVXWUHKLSA-N 2 2 320.481 0.874 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328610019 416123118 /nfs/dbraw/zinc/12/31/18/416123118.db2.gz NICOZYYNOCJXHK-UONOGXRCSA-N 2 2 320.441 0.510 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328610019 416123121 /nfs/dbraw/zinc/12/31/21/416123121.db2.gz NICOZYYNOCJXHK-UONOGXRCSA-N 2 2 320.441 0.510 20 30 DCEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328880465 416137274 /nfs/dbraw/zinc/13/72/74/416137274.db2.gz VXZRIHVAKUKULP-QWHCGFSZSA-N 2 2 307.398 0.454 20 30 DCEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328880465 416137275 /nfs/dbraw/zinc/13/72/75/416137275.db2.gz VXZRIHVAKUKULP-QWHCGFSZSA-N 2 2 307.398 0.454 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000329774927 416191171 /nfs/dbraw/zinc/19/11/71/416191171.db2.gz MPXNVXTWOUPNJN-GZBFAFLISA-N 2 2 310.442 0.693 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000329774927 416191172 /nfs/dbraw/zinc/19/11/72/416191172.db2.gz MPXNVXTWOUPNJN-GZBFAFLISA-N 2 2 310.442 0.693 20 30 DCEDLP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000330088279 416196666 /nfs/dbraw/zinc/19/66/66/416196666.db2.gz UNYRNCGAUWEAEG-OCCSQVGLSA-N 2 2 316.471 0.258 20 30 DCEDLP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000330088279 416196670 /nfs/dbraw/zinc/19/66/70/416196670.db2.gz UNYRNCGAUWEAEG-OCCSQVGLSA-N 2 2 316.471 0.258 20 30 DCEDLP C[NH+]1CCC(CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000347037328 416210771 /nfs/dbraw/zinc/21/07/71/416210771.db2.gz IMUPYDSBDQMLNF-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP CCCCNC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330514198 416211685 /nfs/dbraw/zinc/21/16/85/416211685.db2.gz LGINZBXDZPZGHT-UHFFFAOYSA-N 2 2 322.413 0.372 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000491638727 416607541 /nfs/dbraw/zinc/60/75/41/416607541.db2.gz WDFGRPSJEFLZDQ-FVQBIDKESA-N 2 2 305.422 0.167 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)CC1 ZINC000491669205 416612965 /nfs/dbraw/zinc/61/29/65/416612965.db2.gz CBGOOWRIAKSNAE-HRCADAONSA-N 2 2 307.438 0.245 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)CC1 ZINC000491669205 416612966 /nfs/dbraw/zinc/61/29/66/416612966.db2.gz CBGOOWRIAKSNAE-HRCADAONSA-N 2 2 307.438 0.245 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000490718205 416572681 /nfs/dbraw/zinc/57/26/81/416572681.db2.gz HLYOTGKCIRLNOW-SFHVURJKSA-N 2 2 312.417 0.900 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000490780154 416575209 /nfs/dbraw/zinc/57/52/09/416575209.db2.gz DTDZDACRLBVVKT-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000490780154 416575214 /nfs/dbraw/zinc/57/52/14/416575214.db2.gz DTDZDACRLBVVKT-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000490780155 416575306 /nfs/dbraw/zinc/57/53/06/416575306.db2.gz DTDZDACRLBVVKT-OAHLLOKOSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000490780155 416575309 /nfs/dbraw/zinc/57/53/09/416575309.db2.gz DTDZDACRLBVVKT-OAHLLOKOSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC)Cc2ccncc2)CC1 ZINC000490891268 416576567 /nfs/dbraw/zinc/57/65/67/416576567.db2.gz CELXENWAQNMXGD-UHFFFAOYSA-N 2 2 300.406 0.681 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC)Cc2ccncc2)CC1 ZINC000490891268 416576571 /nfs/dbraw/zinc/57/65/71/416576571.db2.gz CELXENWAQNMXGD-UHFFFAOYSA-N 2 2 300.406 0.681 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C#N)C3)C2)CC1 ZINC000369375880 416765432 /nfs/dbraw/zinc/76/54/32/416765432.db2.gz ZKPDLSDZPBTLSP-UKRRQHHQSA-N 2 2 321.425 0.089 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C#N)C3)C2)CC1 ZINC000369375880 416765438 /nfs/dbraw/zinc/76/54/38/416765438.db2.gz ZKPDLSDZPBTLSP-UKRRQHHQSA-N 2 2 321.425 0.089 20 30 DCEDLP COCC[NH+]1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000559865619 416826924 /nfs/dbraw/zinc/82/69/24/416826924.db2.gz SCPZIIMTMSTKOW-UHFFFAOYSA-N 2 2 314.393 0.801 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576169208 417586769 /nfs/dbraw/zinc/58/67/69/417586769.db2.gz BIHHGLJJLIJFLW-NWDGAFQWSA-N 2 2 305.382 0.610 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576169208 417586773 /nfs/dbraw/zinc/58/67/73/417586773.db2.gz BIHHGLJJLIJFLW-NWDGAFQWSA-N 2 2 305.382 0.610 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000434171513 338211524 /nfs/dbraw/zinc/21/15/24/338211524.db2.gz DDWVIHVFXQCAPO-OAHLLOKOSA-N 2 2 324.469 0.999 20 30 DCEDLP C#CCNC(=O)CC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000491754073 339878937 /nfs/dbraw/zinc/87/89/37/339878937.db2.gz RGPBSVUPTGMRDL-UHFFFAOYSA-N 2 2 315.417 0.748 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157198526 526589740 /nfs/dbraw/zinc/58/97/40/526589740.db2.gz RKEBUMZZWAYMBZ-AWEZNQCLSA-N 2 2 308.426 0.949 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157198526 526589742 /nfs/dbraw/zinc/58/97/42/526589742.db2.gz RKEBUMZZWAYMBZ-AWEZNQCLSA-N 2 2 308.426 0.949 20 30 DCEDLP C#CCSCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363554617 527144907 /nfs/dbraw/zinc/14/49/07/527144907.db2.gz JCTFWUCHKBLPPO-CQSZACIVSA-N 2 2 324.494 0.821 20 30 DCEDLP C#CCSCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363554617 527144910 /nfs/dbraw/zinc/14/49/10/527144910.db2.gz JCTFWUCHKBLPPO-CQSZACIVSA-N 2 2 324.494 0.821 20 30 DCEDLP CCc1cccc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000264122983 529176353 /nfs/dbraw/zinc/17/63/53/529176353.db2.gz RLAONEVFXSPYGW-HNNXBMFYSA-N 2 2 306.410 0.669 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001667123826 1174662373 /nfs/dbraw/zinc/66/23/73/1174662373.db2.gz HPWKYPFLNPVJIR-OAHLLOKOSA-N 2 2 306.410 0.653 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001023125755 657537975 /nfs/dbraw/zinc/53/79/75/657537975.db2.gz WZPVTDTZEDICHQ-OKILXGFUSA-N 2 2 303.431 0.976 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001023125755 657537982 /nfs/dbraw/zinc/53/79/82/657537982.db2.gz WZPVTDTZEDICHQ-OKILXGFUSA-N 2 2 303.431 0.976 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537339 657664345 /nfs/dbraw/zinc/66/43/45/657664345.db2.gz GZJZCQSWKVQPJK-SJLPKXTDSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537339 657664350 /nfs/dbraw/zinc/66/43/50/657664350.db2.gz GZJZCQSWKVQPJK-SJLPKXTDSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602016 658031818 /nfs/dbraw/zinc/03/18/18/658031818.db2.gz XNBMVAANEVTRQH-RRFJBIMHSA-N 2 2 300.406 0.985 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602016 658031827 /nfs/dbraw/zinc/03/18/27/658031827.db2.gz XNBMVAANEVTRQH-RRFJBIMHSA-N 2 2 300.406 0.985 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638893 658140248 /nfs/dbraw/zinc/14/02/48/658140248.db2.gz OPSZIUYEHOQIKQ-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638893 658140250 /nfs/dbraw/zinc/14/02/50/658140250.db2.gz OPSZIUYEHOQIKQ-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638893 658140256 /nfs/dbraw/zinc/14/02/56/658140256.db2.gz OPSZIUYEHOQIKQ-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638893 658140262 /nfs/dbraw/zinc/14/02/62/658140262.db2.gz OPSZIUYEHOQIKQ-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374620 658634673 /nfs/dbraw/zinc/63/46/73/658634673.db2.gz QYBFUJPOYPCXCN-AEFFLSMTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374620 658634678 /nfs/dbraw/zinc/63/46/78/658634678.db2.gz QYBFUJPOYPCXCN-AEFFLSMTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374620 658634683 /nfs/dbraw/zinc/63/46/83/658634683.db2.gz QYBFUJPOYPCXCN-AEFFLSMTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374620 658634687 /nfs/dbraw/zinc/63/46/87/658634687.db2.gz QYBFUJPOYPCXCN-AEFFLSMTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380835 658646669 /nfs/dbraw/zinc/64/66/69/658646669.db2.gz KIAISJAAICSHNA-AEFFLSMTSA-N 2 2 317.433 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380835 658646674 /nfs/dbraw/zinc/64/66/74/658646674.db2.gz KIAISJAAICSHNA-AEFFLSMTSA-N 2 2 317.433 0.265 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705776 665619387 /nfs/dbraw/zinc/61/93/87/665619387.db2.gz JPQZAYALYJKFKA-GJZGRUSLSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705776 665619389 /nfs/dbraw/zinc/61/93/89/665619389.db2.gz JPQZAYALYJKFKA-GJZGRUSLSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001026319078 659165994 /nfs/dbraw/zinc/16/59/94/659165994.db2.gz NWHWPVYJSOHEMW-RRFJBIMHSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906074 661881589 /nfs/dbraw/zinc/88/15/89/661881589.db2.gz CLRHOOPUDVJFHG-AWEZNQCLSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906074 661881591 /nfs/dbraw/zinc/88/15/91/661881591.db2.gz CLRHOOPUDVJFHG-AWEZNQCLSA-N 2 2 309.373 0.952 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032785158 665824913 /nfs/dbraw/zinc/82/49/13/665824913.db2.gz ZKMVLTZOTLPCRD-JYJNAYRXSA-N 2 2 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CC#CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920491 665905232 /nfs/dbraw/zinc/90/52/32/665905232.db2.gz HWRQPZIDGQDYRO-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920491 665905234 /nfs/dbraw/zinc/90/52/34/665905234.db2.gz HWRQPZIDGQDYRO-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000974359 665968207 /nfs/dbraw/zinc/96/82/07/665968207.db2.gz BQBFFQUHKKMIGB-CVEARBPZSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000905571804 663565166 /nfs/dbraw/zinc/56/51/66/663565166.db2.gz SNMFILRDIXNHQT-HNNXBMFYSA-N 2 2 324.494 0.270 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=S)NCCC[NH+]2CCOCC2)C1 ZINC000905571804 663565167 /nfs/dbraw/zinc/56/51/67/663565167.db2.gz SNMFILRDIXNHQT-HNNXBMFYSA-N 2 2 324.494 0.270 20 30 DCEDLP C#CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000914084796 664747897 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0.421 20 30 DCEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001650163245 1173492205 /nfs/dbraw/zinc/49/22/05/1173492205.db2.gz IFIOQCHYANGJBJ-CYBMUJFWSA-N 2 2 316.386 0.743 20 30 DCEDLP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001656779955 1173882937 /nfs/dbraw/zinc/88/29/37/1173882937.db2.gz MEDYKGQEOQFFHE-HNNXBMFYSA-N 2 2 304.394 0.192 20 30 DCEDLP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001656779955 1173882941 /nfs/dbraw/zinc/88/29/41/1173882941.db2.gz MEDYKGQEOQFFHE-HNNXBMFYSA-N 2 2 304.394 0.192 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001662130301 1174181889 /nfs/dbraw/zinc/18/18/89/1174181889.db2.gz WYYACQICZSAXBM-UHFFFAOYSA-N 2 2 319.409 0.271 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001662665559 1174229905 /nfs/dbraw/zinc/22/99/05/1174229905.db2.gz UVQLRVXMBJWSQB-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@@H](CC)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001665849930 1174567714 /nfs/dbraw/zinc/56/77/14/1174567714.db2.gz JTMPPXAMOAVLBF-JSGCOSHPSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](CC)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001665849931 1174568616 /nfs/dbraw/zinc/56/86/16/1174568616.db2.gz JTMPPXAMOAVLBF-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001666708983 1174629077 /nfs/dbraw/zinc/62/90/77/1174629077.db2.gz UZYYTHPMTZXZQK-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001666708983 1174629079 /nfs/dbraw/zinc/62/90/79/1174629079.db2.gz UZYYTHPMTZXZQK-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001667595546 1174694620 /nfs/dbraw/zinc/69/46/20/1174694620.db2.gz DCBMKQAEUJBWMM-CQSZACIVSA-N 2 2 321.425 0.272 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001667595546 1174694626 /nfs/dbraw/zinc/69/46/26/1174694626.db2.gz DCBMKQAEUJBWMM-CQSZACIVSA-N 2 2 321.425 0.272 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001667820895 1174718673 /nfs/dbraw/zinc/71/86/73/1174718673.db2.gz UKDFPRKODCZHFV-AWEZNQCLSA-N 2 2 300.362 0.346 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001672210084 1175088668 /nfs/dbraw/zinc/08/86/68/1175088668.db2.gz SEUDPPZIWBWURC-GJZGRUSLSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001672210084 1175088673 /nfs/dbraw/zinc/08/86/73/1175088673.db2.gz SEUDPPZIWBWURC-GJZGRUSLSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001674087927 1175252207 /nfs/dbraw/zinc/25/22/07/1175252207.db2.gz OAOKNKDLITVJCP-UHFFFAOYSA-N 2 2 306.410 0.482 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001674147180 1175260474 /nfs/dbraw/zinc/26/04/74/1175260474.db2.gz MCNYARLOOXKLRX-UONOGXRCSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001674147180 1175260479 /nfs/dbraw/zinc/26/04/79/1175260479.db2.gz MCNYARLOOXKLRX-UONOGXRCSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001674203937 1175263734 /nfs/dbraw/zinc/26/37/34/1175263734.db2.gz CVKLPXWLJUINBO-LSDHHAIUSA-N 2 2 318.421 0.580 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001688886197 1176645128 /nfs/dbraw/zinc/64/51/28/1176645128.db2.gz JZBSCGHDFAMKQS-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001688886197 1176645131 /nfs/dbraw/zinc/64/51/31/1176645131.db2.gz JZBSCGHDFAMKQS-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001689300058 1176806615 /nfs/dbraw/zinc/80/66/15/1176806615.db2.gz AOVJQIJPZAIAJI-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001689300058 1176806628 /nfs/dbraw/zinc/80/66/28/1176806628.db2.gz AOVJQIJPZAIAJI-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001689300058 1176806639 /nfs/dbraw/zinc/80/66/39/1176806639.db2.gz AOVJQIJPZAIAJI-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001689300058 1176806652 /nfs/dbraw/zinc/80/66/52/1176806652.db2.gz AOVJQIJPZAIAJI-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001690042675 1177149207 /nfs/dbraw/zinc/14/92/07/1177149207.db2.gz XQXHFXQZHMEHFN-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001690042675 1177149209 /nfs/dbraw/zinc/14/92/09/1177149209.db2.gz XQXHFXQZHMEHFN-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP C=CCC[NH+]1CCN(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001690074871 1177163176 /nfs/dbraw/zinc/16/31/76/1177163176.db2.gz UQOQYHZEEIAPKK-UHFFFAOYSA-N 2 2 319.453 0.663 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC001691781473 1177360583 /nfs/dbraw/zinc/36/05/83/1177360583.db2.gz RWBUVSPZWNIFQV-HUUCEWRRSA-N 2 2 306.410 0.912 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001691937296 1177386012 /nfs/dbraw/zinc/38/60/12/1177386012.db2.gz LNJFIOKYJUOMJB-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001691937296 1177386018 /nfs/dbraw/zinc/38/60/18/1177386018.db2.gz LNJFIOKYJUOMJB-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001698827809 1177685418 /nfs/dbraw/zinc/68/54/18/1177685418.db2.gz DNDGUSSLFBQVHV-JSGCOSHPSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001698827809 1177685423 /nfs/dbraw/zinc/68/54/23/1177685423.db2.gz DNDGUSSLFBQVHV-JSGCOSHPSA-N 2 2 321.450 0.572 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001699011004 1177768834 /nfs/dbraw/zinc/76/88/34/1177768834.db2.gz JSCOAKPDVTWVDG-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699011004 1177768842 /nfs/dbraw/zinc/76/88/42/1177768842.db2.gz JSCOAKPDVTWVDG-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001699011004 1177768852 /nfs/dbraw/zinc/76/88/52/1177768852.db2.gz JSCOAKPDVTWVDG-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001699011004 1177768859 /nfs/dbraw/zinc/76/88/59/1177768859.db2.gz JSCOAKPDVTWVDG-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624771 1178224700 /nfs/dbraw/zinc/22/47/00/1178224700.db2.gz WBZFAGFVPNACMH-UKRRQHHQSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624771 1178224708 /nfs/dbraw/zinc/22/47/08/1178224708.db2.gz WBZFAGFVPNACMH-UKRRQHHQSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624771 1178224715 /nfs/dbraw/zinc/22/47/15/1178224715.db2.gz WBZFAGFVPNACMH-UKRRQHHQSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699624771 1178224720 /nfs/dbraw/zinc/22/47/20/1178224720.db2.gz WBZFAGFVPNACMH-UKRRQHHQSA-N 2 2 322.453 0.352 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699905616 1178361658 /nfs/dbraw/zinc/36/16/58/1178361658.db2.gz GLHFIWRKOLOQDG-HOCLYGCPSA-N 2 2 304.394 0.411 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699905616 1178361668 /nfs/dbraw/zinc/36/16/68/1178361668.db2.gz GLHFIWRKOLOQDG-HOCLYGCPSA-N 2 2 304.394 0.411 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001700084940 1178473951 /nfs/dbraw/zinc/47/39/51/1178473951.db2.gz DIUVPHLGOPKLIO-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001700286780 1178566514 /nfs/dbraw/zinc/56/65/14/1178566514.db2.gz SRLKRANXLXOCOU-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001700605841 1178676907 /nfs/dbraw/zinc/67/69/07/1178676907.db2.gz VGAUZTZGNXHWQK-XJKSGUPXSA-N 2 2 317.389 0.471 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001700609630 1178679446 /nfs/dbraw/zinc/67/94/46/1178679446.db2.gz ZYWPKLSAFQBRGU-ZIAGYGMSSA-N 2 2 322.409 0.360 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001700963393 1178842156 /nfs/dbraw/zinc/84/21/56/1178842156.db2.gz CAYMQMAAYULIKA-ZBFHGGJFSA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001700963393 1178842163 /nfs/dbraw/zinc/84/21/63/1178842163.db2.gz CAYMQMAAYULIKA-ZBFHGGJFSA-N 2 2 320.437 0.773 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001707057880 1180404890 /nfs/dbraw/zinc/40/48/90/1180404890.db2.gz ZMKBQPDVEIENIK-OAHLLOKOSA-N 2 2 305.422 0.265 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001707057880 1180404894 /nfs/dbraw/zinc/40/48/94/1180404894.db2.gz ZMKBQPDVEIENIK-OAHLLOKOSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+](C)CCOCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001707232493 1180443218 /nfs/dbraw/zinc/44/32/18/1180443218.db2.gz FTGQKIONWZSVPC-UHFFFAOYSA-N 2 2 306.410 0.691 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001707232493 1180443223 /nfs/dbraw/zinc/44/32/23/1180443223.db2.gz FTGQKIONWZSVPC-UHFFFAOYSA-N 2 2 306.410 0.691 20 30 DCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001713310885 1180761500 /nfs/dbraw/zinc/76/15/00/1180761500.db2.gz FBLVNJCMRVTWEC-WFASDCNBSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001713310885 1180761504 /nfs/dbraw/zinc/76/15/04/1180761504.db2.gz FBLVNJCMRVTWEC-WFASDCNBSA-N 2 2 303.410 0.908 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713318980 1180766403 /nfs/dbraw/zinc/76/64/03/1180766403.db2.gz SHYYROBNXWUFLE-CYBMUJFWSA-N 2 2 306.410 0.671 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001713345358 1180778512 /nfs/dbraw/zinc/77/85/12/1180778512.db2.gz IEQQLIQMKHBKRL-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713473029 1180850943 /nfs/dbraw/zinc/85/09/43/1180850943.db2.gz NTBKRTHMMNXVDE-LSDHHAIUSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713473029 1180850952 /nfs/dbraw/zinc/85/09/52/1180850952.db2.gz NTBKRTHMMNXVDE-LSDHHAIUSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001713597736 1180955616 /nfs/dbraw/zinc/95/56/16/1180955616.db2.gz KYPAJDJRXBWCFU-AWEZNQCLSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001713597736 1180955620 /nfs/dbraw/zinc/95/56/20/1180955620.db2.gz KYPAJDJRXBWCFU-AWEZNQCLSA-N 2 2 319.409 0.177 20 30 DCEDLP COCC#CC[N@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001713766792 1181054602 /nfs/dbraw/zinc/05/46/02/1181054602.db2.gz NCEZGDGHSGORIM-UHFFFAOYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001713766792 1181054606 /nfs/dbraw/zinc/05/46/06/1181054606.db2.gz NCEZGDGHSGORIM-UHFFFAOYSA-N 2 2 318.421 0.772 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001713804552 1181081542 /nfs/dbraw/zinc/08/15/42/1181081542.db2.gz SWAIJVVZMMGHQN-UHFFFAOYSA-N 2 2 306.454 0.229 20 30 DCEDLP C=CCCC[NH+]1CCN(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001713812949 1181088139 /nfs/dbraw/zinc/08/81/39/1181088139.db2.gz URNXSNQCJYVNJQ-UHFFFAOYSA-N 2 2 319.453 0.961 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714053830 1181228264 /nfs/dbraw/zinc/22/82/64/1181228264.db2.gz OJCCYJFBTRHQFR-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001714053830 1181228266 /nfs/dbraw/zinc/22/82/66/1181228266.db2.gz OJCCYJFBTRHQFR-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001714472364 1181381465 /nfs/dbraw/zinc/38/14/65/1181381465.db2.gz ICDDCHWRVSYWTM-OCCSQVGLSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001714472364 1181381469 /nfs/dbraw/zinc/38/14/69/1181381469.db2.gz ICDDCHWRVSYWTM-OCCSQVGLSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(=O)NC(C)C ZINC001714582063 1181425658 /nfs/dbraw/zinc/42/56/58/1181425658.db2.gz BDBOWHSKRHHKCY-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(=O)NC(C)C ZINC001714582063 1181425662 /nfs/dbraw/zinc/42/56/62/1181425662.db2.gz BDBOWHSKRHHKCY-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)NC(C)C ZINC001714582063 1181425666 /nfs/dbraw/zinc/42/56/66/1181425666.db2.gz BDBOWHSKRHHKCY-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)NC(C)C ZINC001714582063 1181425670 /nfs/dbraw/zinc/42/56/70/1181425670.db2.gz BDBOWHSKRHHKCY-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714588160 1181427084 /nfs/dbraw/zinc/42/70/84/1181427084.db2.gz ZRFDFRLBHRPCGG-UHFFFAOYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714588160 1181427086 /nfs/dbraw/zinc/42/70/86/1181427086.db2.gz ZRFDFRLBHRPCGG-UHFFFAOYSA-N 2 2 322.453 0.048 20 30 DCEDLP COCC#CC[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001715206587 1181715692 /nfs/dbraw/zinc/71/56/92/1181715692.db2.gz MRXIVCMFVDOBLY-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001715375280 1181794453 /nfs/dbraw/zinc/79/44/53/1181794453.db2.gz PVXYMYZLHTZLID-CQSZACIVSA-N 2 2 306.410 0.439 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C(C)C ZINC001715496756 1181829646 /nfs/dbraw/zinc/82/96/46/1181829646.db2.gz LDKXVUGFLKFEQW-HNNXBMFYSA-N 2 2 306.410 0.653 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001715596927 1181885050 /nfs/dbraw/zinc/88/50/50/1181885050.db2.gz UWFMUWIBGRFWNH-DZGCQCFKSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001715660401 1181930589 /nfs/dbraw/zinc/93/05/89/1181930589.db2.gz OLTXHIOFMONLEU-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001715885094 1182075871 /nfs/dbraw/zinc/07/58/71/1182075871.db2.gz KNXWDQHKXWULLK-SCOBNMCVSA-N 2 2 317.393 0.001 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001716029920 1182153115 /nfs/dbraw/zinc/15/31/15/1182153115.db2.gz VSSYHHXGQADWQG-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001716029920 1182153118 /nfs/dbraw/zinc/15/31/18/1182153118.db2.gz VSSYHHXGQADWQG-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716029920 1182153122 /nfs/dbraw/zinc/15/31/22/1182153122.db2.gz VSSYHHXGQADWQG-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001716029920 1182153126 /nfs/dbraw/zinc/15/31/26/1182153126.db2.gz VSSYHHXGQADWQG-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001716768944 1182518375 /nfs/dbraw/zinc/51/83/75/1182518375.db2.gz IWEVXBHUQADTSC-CABCVRRESA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001716788001 1182526713 /nfs/dbraw/zinc/52/67/13/1182526713.db2.gz SANYMGMNGYDADX-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001717176130 1182710902 /nfs/dbraw/zinc/71/09/02/1182710902.db2.gz TTWDFLWLZOPQRE-LSDHHAIUSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001717214085 1182733805 /nfs/dbraw/zinc/73/38/05/1182733805.db2.gz ISNOIJGZAFNUFP-UHFFFAOYSA-N 2 2 306.410 0.393 20 30 DCEDLP COCC#CC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001717214085 1182733813 /nfs/dbraw/zinc/73/38/13/1182733813.db2.gz ISNOIJGZAFNUFP-UHFFFAOYSA-N 2 2 306.410 0.393 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+](C)C)CO2 ZINC001717232635 1182744163 /nfs/dbraw/zinc/74/41/63/1182744163.db2.gz RPBWRAVFXSMDMG-CQSZACIVSA-N 2 2 311.426 0.100 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001717588207 1182911994 /nfs/dbraw/zinc/91/19/94/1182911994.db2.gz VSPYBLZJROZOSI-OAHLLOKOSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001717588207 1182911998 /nfs/dbraw/zinc/91/19/98/1182911998.db2.gz VSPYBLZJROZOSI-OAHLLOKOSA-N 2 2 318.421 0.439 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001723873584 1184356813 /nfs/dbraw/zinc/35/68/13/1184356813.db2.gz DKGYCNFZRBGMIN-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001724166249 1184393031 /nfs/dbraw/zinc/39/30/31/1184393031.db2.gz VPMLTUVTDZJZMZ-INIZCTEOSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001724166249 1184393038 /nfs/dbraw/zinc/39/30/38/1184393038.db2.gz VPMLTUVTDZJZMZ-INIZCTEOSA-N 2 2 304.394 0.422 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001724821360 1184575415 /nfs/dbraw/zinc/57/54/15/1184575415.db2.gz MVPORVJOPOLBOQ-RBSFLKMASA-N 2 2 316.405 0.364 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724909729 1184614694 /nfs/dbraw/zinc/61/46/94/1184614694.db2.gz FYUNFFVEWXIJMH-BBRMVZONSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724909729 1184614701 /nfs/dbraw/zinc/61/47/01/1184614701.db2.gz FYUNFFVEWXIJMH-BBRMVZONSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001725193661 1184717492 /nfs/dbraw/zinc/71/74/92/1184717492.db2.gz QZOLDYAWQJDQSK-CHWSQXEVSA-N 2 2 321.425 0.319 20 30 DCEDLP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725431529 1184820562 /nfs/dbraw/zinc/82/05/62/1184820562.db2.gz BBHMWHJODVXGGU-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725431529 1184820568 /nfs/dbraw/zinc/82/05/68/1184820568.db2.gz BBHMWHJODVXGGU-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001725538071 1184869188 /nfs/dbraw/zinc/86/91/88/1184869188.db2.gz PDPWJDPRZNWDPJ-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001725780940 1184991699 /nfs/dbraw/zinc/99/16/99/1184991699.db2.gz VZCJRZYLMDTBMY-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001731523572 1185374843 /nfs/dbraw/zinc/37/48/43/1185374843.db2.gz RELRHDCVEUKGOV-AWEZNQCLSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nc(C)no2)CC1 ZINC001731639843 1185423201 /nfs/dbraw/zinc/42/32/01/1185423201.db2.gz JYFHYRBJYLHYCK-GFCCVEGCSA-N 2 2 319.409 0.318 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001732387321 1185795441 /nfs/dbraw/zinc/79/54/41/1185795441.db2.gz PEVHHBIRDQAVHK-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001732387321 1185795444 /nfs/dbraw/zinc/79/54/44/1185795444.db2.gz PEVHHBIRDQAVHK-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001732645209 1185892133 /nfs/dbraw/zinc/89/21/33/1185892133.db2.gz OTQOCZWBPFEUSK-RISCZKNCSA-N 2 2 307.398 0.043 20 30 DCEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001732645209 1185892137 /nfs/dbraw/zinc/89/21/37/1185892137.db2.gz OTQOCZWBPFEUSK-RISCZKNCSA-N 2 2 307.398 0.043 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnoc1C ZINC001732860646 1186019635 /nfs/dbraw/zinc/01/96/35/1186019635.db2.gz OZQKANQGHXBDDW-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnoc1C ZINC001732860646 1186019640 /nfs/dbraw/zinc/01/96/40/1186019640.db2.gz OZQKANQGHXBDDW-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733588813 1186347309 /nfs/dbraw/zinc/34/73/09/1186347309.db2.gz PKPJEPVHPLFWHZ-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733588813 1186347313 /nfs/dbraw/zinc/34/73/13/1186347313.db2.gz PKPJEPVHPLFWHZ-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733588813 1186347317 /nfs/dbraw/zinc/34/73/17/1186347317.db2.gz PKPJEPVHPLFWHZ-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733588813 1186347321 /nfs/dbraw/zinc/34/73/21/1186347321.db2.gz PKPJEPVHPLFWHZ-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C#CC[NH+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001734039180 1186527365 /nfs/dbraw/zinc/52/73/65/1186527365.db2.gz WTJXZCHBZZNTOV-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001734039180 1186527367 /nfs/dbraw/zinc/52/73/67/1186527367.db2.gz WTJXZCHBZZNTOV-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001734039180 1186527371 /nfs/dbraw/zinc/52/73/71/1186527371.db2.gz WTJXZCHBZZNTOV-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@H+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001734039180 1186527375 /nfs/dbraw/zinc/52/73/75/1186527375.db2.gz WTJXZCHBZZNTOV-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001734176863 1186569900 /nfs/dbraw/zinc/56/99/00/1186569900.db2.gz IEAGXVBYCVTQBY-HIFRSBDPSA-N 2 2 304.394 0.571 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001734176863 1186569905 /nfs/dbraw/zinc/56/99/05/1186569905.db2.gz IEAGXVBYCVTQBY-HIFRSBDPSA-N 2 2 304.394 0.571 20 30 DCEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734371718 1186629354 /nfs/dbraw/zinc/62/93/54/1186629354.db2.gz RSOSFVNKUCTBSX-OAHLLOKOSA-N 2 2 312.373 0.576 20 30 DCEDLP COCC#CC[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753366634 1187891603 /nfs/dbraw/zinc/89/16/03/1187891603.db2.gz GZAQFSINUFKOPA-UHFFFAOYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753366634 1187891606 /nfs/dbraw/zinc/89/16/06/1187891606.db2.gz GZAQFSINUFKOPA-UHFFFAOYSA-N 2 2 318.421 0.772 20 30 DCEDLP C[C@@H](CC(=O)NCCC[NH+]1CCN(CC#N)CC1)n1cc[nH+]c1 ZINC001752353259 1188416460 /nfs/dbraw/zinc/41/64/60/1188416460.db2.gz UXQLDMUBADROLU-HNNXBMFYSA-N 2 2 318.425 0.482 20 30 DCEDLP C#CCC[N@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001753050779 1188484677 /nfs/dbraw/zinc/48/46/77/1188484677.db2.gz LXMBBTRFBOYPHE-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[N@@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001753050779 1188484684 /nfs/dbraw/zinc/48/46/84/1188484684.db2.gz LXMBBTRFBOYPHE-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001753050779 1188484687 /nfs/dbraw/zinc/48/46/87/1188484687.db2.gz LXMBBTRFBOYPHE-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001753050779 1188484689 /nfs/dbraw/zinc/48/46/89/1188484689.db2.gz LXMBBTRFBOYPHE-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C=CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001753057775 1188486772 /nfs/dbraw/zinc/48/67/72/1188486772.db2.gz FIKFBXXDINBWCU-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001753057775 1188486774 /nfs/dbraw/zinc/48/67/74/1188486774.db2.gz FIKFBXXDINBWCU-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001753404202 1188584572 /nfs/dbraw/zinc/58/45/72/1188584572.db2.gz WOXJXQGVOUJQAV-CYBMUJFWSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001753404202 1188584573 /nfs/dbraw/zinc/58/45/73/1188584573.db2.gz WOXJXQGVOUJQAV-CYBMUJFWSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001753428110 1188593374 /nfs/dbraw/zinc/59/33/74/1188593374.db2.gz WQJJAHCQZNFLIT-JYJNAYRXSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001753428110 1188593376 /nfs/dbraw/zinc/59/33/76/1188593376.db2.gz WQJJAHCQZNFLIT-JYJNAYRXSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001753428110 1188593377 /nfs/dbraw/zinc/59/33/77/1188593377.db2.gz 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COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001755201240 1189053632 /nfs/dbraw/zinc/05/36/32/1189053632.db2.gz PUVZZOIIAOTJGW-HNNXBMFYSA-N 2 2 318.421 0.535 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001755201240 1189053637 /nfs/dbraw/zinc/05/36/37/1189053637.db2.gz PUVZZOIIAOTJGW-HNNXBMFYSA-N 2 2 318.421 0.535 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001755461521 1189118987 /nfs/dbraw/zinc/11/89/87/1189118987.db2.gz SLIPMYJZUJCJTE-ZFWWWQNUSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229153 751963395 /nfs/dbraw/zinc/96/33/95/751963395.db2.gz DLBYPUZUAIXANL-CYBMUJFWSA-N 2 2 318.425 0.279 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001107229153 751963399 /nfs/dbraw/zinc/96/33/99/751963399.db2.gz DLBYPUZUAIXANL-CYBMUJFWSA-N 2 2 318.425 0.279 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001042964039 752011441 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PAILYOKJQDISQZ-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401396 754248170 /nfs/dbraw/zinc/24/81/70/754248170.db2.gz PAILYOKJQDISQZ-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401396 754248175 /nfs/dbraw/zinc/24/81/75/754248175.db2.gz PAILYOKJQDISQZ-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401396 754248177 /nfs/dbraw/zinc/24/81/77/754248177.db2.gz PAILYOKJQDISQZ-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409298 754256513 /nfs/dbraw/zinc/25/65/13/754256513.db2.gz RMGGZPWXRPMNQO-IKGGRYGDSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409298 754256516 /nfs/dbraw/zinc/25/65/16/754256516.db2.gz RMGGZPWXRPMNQO-IKGGRYGDSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047409298 754256519 /nfs/dbraw/zinc/25/65/19/754256519.db2.gz RMGGZPWXRPMNQO-IKGGRYGDSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409298 754256523 /nfs/dbraw/zinc/25/65/23/754256523.db2.gz RMGGZPWXRPMNQO-IKGGRYGDSA-N 2 2 319.449 0.530 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164636 754586932 /nfs/dbraw/zinc/58/69/32/754586932.db2.gz YLTVLHFANZTYJO-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164636 754586937 /nfs/dbraw/zinc/58/69/37/754586937.db2.gz YLTVLHFANZTYJO-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052987347 755897365 /nfs/dbraw/zinc/89/73/65/755897365.db2.gz JYIJJODMCSXBGV-BMFZPTHFSA-N 2 2 320.437 0.278 20 30 DCEDLP C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052987347 755897368 /nfs/dbraw/zinc/89/73/68/755897368.db2.gz JYIJJODMCSXBGV-BMFZPTHFSA-N 2 2 320.437 0.278 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054008613 756330398 /nfs/dbraw/zinc/33/03/98/756330398.db2.gz ZWOQKPSDBVSCPQ-CQSZACIVSA-N 2 2 302.378 0.174 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)CO2 ZINC001054015034 756333624 /nfs/dbraw/zinc/33/36/24/756333624.db2.gz WYBAYWGHCZHAMM-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054015034 756333627 /nfs/dbraw/zinc/33/36/27/756333627.db2.gz WYBAYWGHCZHAMM-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001137352413 756817576 /nfs/dbraw/zinc/81/75/76/756817576.db2.gz RDEOSPTYSFSPID-OAHLLOKOSA-N 2 2 311.426 0.054 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1OC ZINC001081810016 756818302 /nfs/dbraw/zinc/81/83/02/756818302.db2.gz CWPCTZNSDOFEAF-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1OC ZINC001081810016 756818309 /nfs/dbraw/zinc/81/83/09/756818309.db2.gz CWPCTZNSDOFEAF-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)C[C@H]1OC ZINC001081810016 756818316 /nfs/dbraw/zinc/81/83/16/756818316.db2.gz CWPCTZNSDOFEAF-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)C[C@H]1OC ZINC001081810016 756818322 /nfs/dbraw/zinc/81/83/22/756818322.db2.gz CWPCTZNSDOFEAF-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081870827 756831380 /nfs/dbraw/zinc/83/13/80/756831380.db2.gz NTZYZOOGJHMTRD-NWANDNLSSA-N 2 2 304.394 0.447 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081870827 756831386 /nfs/dbraw/zinc/83/13/86/756831386.db2.gz NTZYZOOGJHMTRD-NWANDNLSSA-N 2 2 304.394 0.447 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C[C@H]1C ZINC001082605162 757201788 /nfs/dbraw/zinc/20/17/88/757201788.db2.gz WIIZGYFLXCPZGU-AXAPSJFSSA-N 2 2 300.406 0.893 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C[C@H]1C ZINC001082605162 757201796 /nfs/dbraw/zinc/20/17/96/757201796.db2.gz WIIZGYFLXCPZGU-AXAPSJFSSA-N 2 2 300.406 0.893 20 30 DCEDLP C#CC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001050604560 757886467 /nfs/dbraw/zinc/88/64/67/757886467.db2.gz JGYFMAOWQZTABM-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072579443 762584475 /nfs/dbraw/zinc/58/44/75/762584475.db2.gz YCYCVEHZHLXFHV-ZDUSSCGKSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072579443 762584478 /nfs/dbraw/zinc/58/44/78/762584478.db2.gz YCYCVEHZHLXFHV-ZDUSSCGKSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579443 762584481 /nfs/dbraw/zinc/58/44/81/762584481.db2.gz YCYCVEHZHLXFHV-ZDUSSCGKSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579443 762584485 /nfs/dbraw/zinc/58/44/85/762584485.db2.gz YCYCVEHZHLXFHV-ZDUSSCGKSA-N 2 2 313.829 0.604 20 30 DCEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051249254 758543525 /nfs/dbraw/zinc/54/35/25/758543525.db2.gz DTKZLEQXEZNIKJ-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051249254 758543514 /nfs/dbraw/zinc/54/35/14/758543514.db2.gz DTKZLEQXEZNIKJ-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249254 758543534 /nfs/dbraw/zinc/54/35/34/758543534.db2.gz DTKZLEQXEZNIKJ-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249254 758543542 /nfs/dbraw/zinc/54/35/42/758543542.db2.gz DTKZLEQXEZNIKJ-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CCC)CC1 ZINC001051255543 758548831 /nfs/dbraw/zinc/54/88/31/758548831.db2.gz RMQWGHFJLQNJCX-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CCC)CC1 ZINC001051255543 758548836 /nfs/dbraw/zinc/54/88/36/758548836.db2.gz RMQWGHFJLQNJCX-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995974 759097381 /nfs/dbraw/zinc/09/73/81/759097381.db2.gz IBISDZBXAMNPPZ-HOTGVXAUSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995974 759097389 /nfs/dbraw/zinc/09/73/89/759097389.db2.gz IBISDZBXAMNPPZ-HOTGVXAUSA-N 2 2 306.454 0.485 20 30 DCEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052030075 759129209 /nfs/dbraw/zinc/12/92/09/759129209.db2.gz GWERSSFYWQQLMS-IXDOHACOSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052030075 759129213 /nfs/dbraw/zinc/12/92/13/759129213.db2.gz GWERSSFYWQQLMS-IXDOHACOSA-N 2 2 318.465 0.178 20 30 DCEDLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CC1 ZINC001052036881 759133233 /nfs/dbraw/zinc/13/32/33/759133233.db2.gz WTHOXCBEONKQHW-JKSUJKDBSA-N 2 2 319.453 0.069 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052043303 759137712 /nfs/dbraw/zinc/13/77/12/759137712.db2.gz UMNKTJWXOQUYHC-JKSUJKDBSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639960 759149569 /nfs/dbraw/zinc/14/95/69/759149569.db2.gz ZJPMJXXCLQYQAD-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639960 759149574 /nfs/dbraw/zinc/14/95/74/759149574.db2.gz ZJPMJXXCLQYQAD-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639960 759149583 /nfs/dbraw/zinc/14/95/83/759149583.db2.gz ZJPMJXXCLQYQAD-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639960 759149586 /nfs/dbraw/zinc/14/95/86/759149586.db2.gz ZJPMJXXCLQYQAD-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052084357 759166932 /nfs/dbraw/zinc/16/69/32/759166932.db2.gz VQDAZVVJHSPXEF-SJORKVTESA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052084357 759166938 /nfs/dbraw/zinc/16/69/38/759166938.db2.gz VQDAZVVJHSPXEF-SJORKVTESA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052084353 759167788 /nfs/dbraw/zinc/16/77/88/759167788.db2.gz VQDAZVVJHSPXEF-IRXDYDNUSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052084353 759167790 /nfs/dbraw/zinc/16/77/90/759167790.db2.gz VQDAZVVJHSPXEF-IRXDYDNUSA-N 2 2 320.481 0.875 20 30 DCEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117677 759190917 /nfs/dbraw/zinc/19/09/17/759190917.db2.gz XBIXISGCYIDQDB-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117677 759190921 /nfs/dbraw/zinc/19/09/21/759190921.db2.gz XBIXISGCYIDQDB-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001052123908 759194094 /nfs/dbraw/zinc/19/40/94/759194094.db2.gz SYOAFZXAGGDSHP-INIZCTEOSA-N 2 2 315.421 0.125 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866171 759404150 /nfs/dbraw/zinc/40/41/50/759404150.db2.gz ARGRODDAEYLBHU-MRXNPFEDSA-N 2 2 317.437 0.614 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866171 759404157 /nfs/dbraw/zinc/40/41/57/759404157.db2.gz ARGRODDAEYLBHU-MRXNPFEDSA-N 2 2 317.437 0.614 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302696 760353937 /nfs/dbraw/zinc/35/39/37/760353937.db2.gz OWVYQTFPBHZGGT-SFHVURJKSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302696 760353944 /nfs/dbraw/zinc/35/39/44/760353944.db2.gz OWVYQTFPBHZGGT-SFHVURJKSA-N 2 2 321.465 0.949 20 30 DCEDLP N#Cc1cncc(Br)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075713 760575676 /nfs/dbraw/zinc/57/56/76/760575676.db2.gz VVNGHHJPCWTGGK-SECBINFHSA-N 2 2 322.166 0.764 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566260 760892450 /nfs/dbraw/zinc/89/24/50/760892450.db2.gz GQYVZEYCDAGDKY-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148606017 768018246 /nfs/dbraw/zinc/01/82/46/768018246.db2.gz ZXPPKOFBLHWPRQ-UHFFFAOYSA-N 2 2 316.405 0.147 20 30 DCEDLP COCC#CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148606017 768018250 /nfs/dbraw/zinc/01/82/50/768018250.db2.gz ZXPPKOFBLHWPRQ-UHFFFAOYSA-N 2 2 316.405 0.147 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001070999918 761571193 /nfs/dbraw/zinc/57/11/93/761571193.db2.gz FXEZRUUFHXISOS-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999918 761571196 /nfs/dbraw/zinc/57/11/96/761571196.db2.gz FXEZRUUFHXISOS-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999918 761571201 /nfs/dbraw/zinc/57/12/01/761571201.db2.gz FXEZRUUFHXISOS-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999918 761571206 /nfs/dbraw/zinc/57/12/06/761571206.db2.gz FXEZRUUFHXISOS-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071215925 761712789 /nfs/dbraw/zinc/71/27/89/761712789.db2.gz IZFYDIMIRUUEHE-XJKSGUPXSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071215925 761712794 /nfs/dbraw/zinc/71/27/94/761712794.db2.gz IZFYDIMIRUUEHE-XJKSGUPXSA-N 2 2 304.394 0.830 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098773631 762727830 /nfs/dbraw/zinc/72/78/30/762727830.db2.gz LAROLNFFHKBKTH-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098773631 762727833 /nfs/dbraw/zinc/72/78/33/762727833.db2.gz LAROLNFFHKBKTH-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098773631 762727835 /nfs/dbraw/zinc/72/78/35/762727835.db2.gz LAROLNFFHKBKTH-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098773631 762727838 /nfs/dbraw/zinc/72/78/38/762727838.db2.gz LAROLNFFHKBKTH-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP 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20 30 DCEDLP C#CC[N@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001482598961 941577894 /nfs/dbraw/zinc/57/78/94/941577894.db2.gz YHJKVSNUJJZLIR-HNNXBMFYSA-N 2 2 303.410 0.813 20 30 DCEDLP C#CC[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482598961 941577897 /nfs/dbraw/zinc/57/78/97/941577897.db2.gz YHJKVSNUJJZLIR-HNNXBMFYSA-N 2 2 303.410 0.813 20 30 DCEDLP C#CC[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001482598961 941577901 /nfs/dbraw/zinc/57/79/01/941577901.db2.gz YHJKVSNUJJZLIR-HNNXBMFYSA-N 2 2 303.410 0.813 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001482694085 941624281 /nfs/dbraw/zinc/62/42/81/941624281.db2.gz MFYXGGBEFQJNLI-QWHCGFSZSA-N 2 2 319.409 0.129 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074242 943136204 /nfs/dbraw/zinc/13/62/04/943136204.db2.gz QLGLIXZCJUDWNW-XJKSGUPXSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074242 943136210 /nfs/dbraw/zinc/13/62/10/943136210.db2.gz QLGLIXZCJUDWNW-XJKSGUPXSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)O2 ZINC001484785708 943570502 /nfs/dbraw/zinc/57/05/02/943570502.db2.gz AJPLKIGOPOVUEG-HZPDHXFCSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)O2 ZINC001484785708 943570507 /nfs/dbraw/zinc/57/05/07/943570507.db2.gz AJPLKIGOPOVUEG-HZPDHXFCSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001491507856 944058216 /nfs/dbraw/zinc/05/82/16/944058216.db2.gz MJSOLROEHPHNNY-KBPBESRZSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001491507858 944059077 /nfs/dbraw/zinc/05/90/77/944059077.db2.gz MJSOLROEHPHNNY-KGLIPLIRSA-N 2 2 306.410 0.742 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001486247718 944668557 /nfs/dbraw/zinc/66/85/57/944668557.db2.gz KFVXIXASNZOXSU-HNNXBMFYSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317046162 944756990 /nfs/dbraw/zinc/75/69/90/944756990.db2.gz XSVGZRYZOXDASO-OAHLLOKOSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317046162 944756998 /nfs/dbraw/zinc/75/69/98/944756998.db2.gz XSVGZRYZOXDASO-OAHLLOKOSA-N 2 2 318.421 0.772 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317150667 944825116 /nfs/dbraw/zinc/82/51/16/944825116.db2.gz DSVREZUOXCPFLG-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277501711 944845247 /nfs/dbraw/zinc/84/52/47/944845247.db2.gz VACQSVFLYCJJCE-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277501711 944845252 /nfs/dbraw/zinc/84/52/52/944845252.db2.gz VACQSVFLYCJJCE-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001277924994 945042663 /nfs/dbraw/zinc/04/26/63/945042663.db2.gz SKOQRMQBCYNNOI-SJORKVTESA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001277924994 945042675 /nfs/dbraw/zinc/04/26/75/945042675.db2.gz SKOQRMQBCYNNOI-SJORKVTESA-N 2 2 319.449 0.844 20 30 DCEDLP C=CCOCc1nn([C@H]2CC[NH2+]C3(CNC3)C2)c2c1C[NH2+]C2 ZINC001246701748 945465192 /nfs/dbraw/zinc/46/51/92/945465192.db2.gz MJMGMLZDSUWACF-LBPRGKRZSA-N 2 2 303.410 0.455 20 30 DCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001319309256 945553152 /nfs/dbraw/zinc/55/31/52/945553152.db2.gz POVGIESJMQPOJU-ZIAGYGMSSA-N 2 2 301.406 0.669 20 30 DCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001319309256 945553158 /nfs/dbraw/zinc/55/31/58/945553158.db2.gz POVGIESJMQPOJU-ZIAGYGMSSA-N 2 2 301.406 0.669 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C(C)C ZINC001319917084 945692157 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0.319 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001323518368 947111059 /nfs/dbraw/zinc/11/10/59/947111059.db2.gz ILCUSWJQDKAMSZ-MRXNPFEDSA-N 2 2 319.449 0.892 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001323518368 947111063 /nfs/dbraw/zinc/11/10/63/947111063.db2.gz ILCUSWJQDKAMSZ-MRXNPFEDSA-N 2 2 319.449 0.892 20 30 DCEDLP C=CCn1c(Cc2[nH+]ccn2C)nnc1N1CC[NH+](CC)CC1 ZINC001262990688 947793416 /nfs/dbraw/zinc/79/34/16/947793416.db2.gz KMISTJLGJKXGIO-UHFFFAOYSA-N 2 2 315.425 0.930 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001273827021 948309758 /nfs/dbraw/zinc/30/97/58/948309758.db2.gz MEZSAGNMLPBRQL-KRWDZBQOSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001273827021 948309766 /nfs/dbraw/zinc/30/97/66/948309766.db2.gz MEZSAGNMLPBRQL-KRWDZBQOSA-N 2 2 305.422 0.265 20 30 DCEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001273835427 948383280 /nfs/dbraw/zinc/38/32/80/948383280.db2.gz HNHYZVCRXRPYEH-HUUCEWRRSA-N 2 2 320.437 0.012 20 30 DCEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC001273835427 948383288 /nfs/dbraw/zinc/38/32/88/948383288.db2.gz HNHYZVCRXRPYEH-HUUCEWRRSA-N 2 2 320.437 0.012 20 30 DCEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001327580848 948559326 /nfs/dbraw/zinc/55/93/26/948559326.db2.gz LNLICIDQVHEAME-INIZCTEOSA-N 2 2 304.394 0.240 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273885528 948653547 /nfs/dbraw/zinc/65/35/47/948653547.db2.gz PCGUFDRYUCLTCJ-RRFJBIMHSA-N 2 2 304.394 0.495 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273885528 948653549 /nfs/dbraw/zinc/65/35/49/948653549.db2.gz PCGUFDRYUCLTCJ-RRFJBIMHSA-N 2 2 304.394 0.495 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224296 949462219 /nfs/dbraw/zinc/46/22/19/949462219.db2.gz ABSWYAFEPDROBY-HOTGVXAUSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224296 949462232 /nfs/dbraw/zinc/46/22/32/949462232.db2.gz ABSWYAFEPDROBY-HOTGVXAUSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265224296 949462238 /nfs/dbraw/zinc/46/22/38/949462238.db2.gz ABSWYAFEPDROBY-HOTGVXAUSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265224296 949462249 /nfs/dbraw/zinc/46/22/49/949462249.db2.gz ABSWYAFEPDROBY-HOTGVXAUSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001330245270 950225346 /nfs/dbraw/zinc/22/53/46/950225346.db2.gz XXKQLEALQAOXRZ-HNNXBMFYSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001490493405 950747075 /nfs/dbraw/zinc/74/70/75/950747075.db2.gz ZRQOERWELGSNNS-INIZCTEOSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490493405 950747086 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0.112 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001275185330 951992046 /nfs/dbraw/zinc/99/20/46/951992046.db2.gz SBSLWFHCBMVZER-ZFWWWQNUSA-N 2 2 303.410 0.112 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275579947 952285569 /nfs/dbraw/zinc/28/55/69/952285569.db2.gz HYTMTHKOAJLITE-HUUCEWRRSA-N 2 2 306.410 0.796 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC001336980158 952792379 /nfs/dbraw/zinc/79/23/79/952792379.db2.gz DCBQAVWAAOEMPS-OCCSQVGLSA-N 2 2 317.389 0.912 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001282745141 953668652 /nfs/dbraw/zinc/66/86/52/953668652.db2.gz USYFKNFONNDFOG-KGLIPLIRSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001282745141 953668655 /nfs/dbraw/zinc/66/86/55/953668655.db2.gz USYFKNFONNDFOG-KGLIPLIRSA-N 2 2 322.453 0.067 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001282915534 953758091 /nfs/dbraw/zinc/75/80/91/953758091.db2.gz OYVKRTFFDHOIHA-CABCVRRESA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001283689905 954535699 /nfs/dbraw/zinc/53/56/99/954535699.db2.gz FKNZPILQIAIQQM-STQMWFEESA-N 2 2 319.409 0.176 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001366896722 955012901 /nfs/dbraw/zinc/01/29/01/955012901.db2.gz CVFXZVODFBVWHO-UONOGXRCSA-N 2 2 315.845 0.850 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001366896722 955012909 /nfs/dbraw/zinc/01/29/09/955012909.db2.gz CVFXZVODFBVWHO-UONOGXRCSA-N 2 2 315.845 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001366896722 955012920 /nfs/dbraw/zinc/01/29/20/955012920.db2.gz CVFXZVODFBVWHO-UONOGXRCSA-N 2 2 315.845 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001366896722 955012930 /nfs/dbraw/zinc/01/29/30/955012930.db2.gz CVFXZVODFBVWHO-UONOGXRCSA-N 2 2 315.845 0.850 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC001353809504 956195021 /nfs/dbraw/zinc/19/50/21/956195021.db2.gz RHKFVWXXTHWGIU-KGLIPLIRSA-N 2 2 311.426 0.766 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001357415111 957277664 /nfs/dbraw/zinc/27/76/64/957277664.db2.gz WANHSSWVSDLNMI-WBVHZDCISA-N 2 2 315.417 0.615 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001357415111 957277677 /nfs/dbraw/zinc/27/76/77/957277677.db2.gz WANHSSWVSDLNMI-WBVHZDCISA-N 2 2 315.417 0.615 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001357415096 957279065 /nfs/dbraw/zinc/27/90/65/957279065.db2.gz WANHSSWVSDLNMI-DOTOQJQBSA-N 2 2 315.417 0.615 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001357415096 957279076 /nfs/dbraw/zinc/27/90/76/957279076.db2.gz WANHSSWVSDLNMI-DOTOQJQBSA-N 2 2 315.417 0.615 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001422194534 1009631815 /nfs/dbraw/zinc/63/18/15/1009631815.db2.gz NRTSIWCPQUQDFY-ZDUSSCGKSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001422194534 1009631824 /nfs/dbraw/zinc/63/18/24/1009631824.db2.gz NRTSIWCPQUQDFY-ZDUSSCGKSA-N 2 2 315.845 0.634 20 30 DCEDLP COCC#CC[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1)C(C)C ZINC001506486274 1017313596 /nfs/dbraw/zinc/31/35/96/1017313596.db2.gz QMZZJZNAKWRZQJ-MRXNPFEDSA-N 2 2 320.437 0.996 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001539431269 1012437685 /nfs/dbraw/zinc/43/76/85/1012437685.db2.gz SNKSFWHARUDUHV-AWEZNQCLSA-N 2 2 316.453 0.824 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001539431269 1012437696 /nfs/dbraw/zinc/43/76/96/1012437696.db2.gz SNKSFWHARUDUHV-AWEZNQCLSA-N 2 2 316.453 0.824 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001506629848 1017422399 /nfs/dbraw/zinc/42/23/99/1017422399.db2.gz CDNZWDFVKIOKRQ-DZGCQCFKSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001506629848 1017422408 /nfs/dbraw/zinc/42/24/08/1017422408.db2.gz CDNZWDFVKIOKRQ-DZGCQCFKSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001494564625 1017793546 /nfs/dbraw/zinc/79/35/46/1017793546.db2.gz WJUYLLHFBKUDNU-OAHLLOKOSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494564625 1017793568 /nfs/dbraw/zinc/79/35/68/1017793568.db2.gz WJUYLLHFBKUDNU-OAHLLOKOSA-N 2 2 322.453 0.211 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CCO)CC1 ZINC001500057229 1018193945 /nfs/dbraw/zinc/19/39/45/1018193945.db2.gz DPALZGPZTKMGFQ-UHFFFAOYSA-N 2 2 304.394 0.179 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001480268074 1018383870 /nfs/dbraw/zinc/38/38/70/1018383870.db2.gz VONRGALCLSYDQX-OAHLLOKOSA-N 2 2 320.437 0.993 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001480268074 1018383881 /nfs/dbraw/zinc/38/38/81/1018383881.db2.gz VONRGALCLSYDQX-OAHLLOKOSA-N 2 2 320.437 0.993 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001500684494 1018575228 /nfs/dbraw/zinc/57/52/28/1018575228.db2.gz ZUTZTJRBFLKOJG-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001500684494 1018575235 /nfs/dbraw/zinc/57/52/35/1018575235.db2.gz ZUTZTJRBFLKOJG-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001500684494 1018575248 /nfs/dbraw/zinc/57/52/48/1018575248.db2.gz ZUTZTJRBFLKOJG-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001500684494 1018575260 /nfs/dbraw/zinc/57/52/60/1018575260.db2.gz ZUTZTJRBFLKOJG-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500691899 1018585706 /nfs/dbraw/zinc/58/57/06/1018585706.db2.gz FBPZSZFPFLPVSB-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500691899 1018585713 /nfs/dbraw/zinc/58/57/13/1018585713.db2.gz FBPZSZFPFLPVSB-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ncc(C)o2)CC1 ZINC001480595527 1018693280 /nfs/dbraw/zinc/69/32/80/1018693280.db2.gz BWKJWLXPPDWKSG-CYBMUJFWSA-N 2 2 318.421 0.923 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001501121033 1018901069 /nfs/dbraw/zinc/90/10/69/1018901069.db2.gz AKNVWKQDHTWAHT-ZFWWWQNUSA-N 2 2 301.390 0.950 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001498391961 1019051411 /nfs/dbraw/zinc/05/14/11/1019051411.db2.gz ABYHFNQCXPOXHX-HUUCEWRRSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001498391961 1019051422 /nfs/dbraw/zinc/05/14/22/1019051422.db2.gz ABYHFNQCXPOXHX-HUUCEWRRSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001496585627 1019432547 /nfs/dbraw/zinc/43/25/47/1019432547.db2.gz DLHKIWROKQLANI-OAHLLOKOSA-N 2 2 320.437 0.733 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139690 1020012655 /nfs/dbraw/zinc/01/26/55/1020012655.db2.gz CGHFCDMGWRBGGY-GJZGRUSLSA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139690 1020012668 /nfs/dbraw/zinc/01/26/68/1020012668.db2.gz CGHFCDMGWRBGGY-GJZGRUSLSA-N 2 2 300.406 0.859 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000177851537 186193441 /nfs/dbraw/zinc/19/34/41/186193441.db2.gz IRRLBPVVPUMNAM-UHFFFAOYSA-N 2 2 303.410 0.984 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C#N)c[nH]1 ZINC000177851537 186193442 /nfs/dbraw/zinc/19/34/42/186193442.db2.gz IRRLBPVVPUMNAM-UHFFFAOYSA-N 2 2 303.410 0.984 20 30 DCEDLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243657 291286916 /nfs/dbraw/zinc/28/69/16/291286916.db2.gz XEGZDZZNYSVPTL-UMVBOHGHSA-N 2 2 300.410 0.822 20 30 DCEDLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243657 291286920 /nfs/dbraw/zinc/28/69/20/291286920.db2.gz XEGZDZZNYSVPTL-UMVBOHGHSA-N 2 2 300.410 0.822 20 30 DCEDLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243657 291286922 /nfs/dbraw/zinc/28/69/22/291286922.db2.gz XEGZDZZNYSVPTL-UMVBOHGHSA-N 2 2 300.410 0.822 20 30 DCEDLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243657 291286924 /nfs/dbraw/zinc/28/69/24/291286924.db2.gz XEGZDZZNYSVPTL-UMVBOHGHSA-N 2 2 300.410 0.822 20 30 DCEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCn2cc[nH+]c2)nc1 ZINC000566584323 291313824 /nfs/dbraw/zinc/31/38/24/291313824.db2.gz DJBYWJKZMDSLDC-UHFFFAOYSA-N 2 2 319.390 0.603 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000491253290 241112466 /nfs/dbraw/zinc/11/24/66/241112466.db2.gz MPNLRAIWEQYOIN-GVDBMIGSSA-N 2 2 319.449 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000491253290 241112469 /nfs/dbraw/zinc/11/24/69/241112469.db2.gz MPNLRAIWEQYOIN-GVDBMIGSSA-N 2 2 319.449 0.389 20 30 DCEDLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568077257 291401698 /nfs/dbraw/zinc/40/16/98/291401698.db2.gz INKNANRIZRNXLB-GFCCVEGCSA-N 2 2 319.390 0.602 20 30 DCEDLP C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000491252466 533144725 /nfs/dbraw/zinc/14/47/25/533144725.db2.gz HXNCPTBEOLXAKL-RDBSUJKOSA-N 2 2 300.362 0.527 20 30 DCEDLP C#CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000491252466 533144727 /nfs/dbraw/zinc/14/47/27/533144727.db2.gz HXNCPTBEOLXAKL-RDBSUJKOSA-N 2 2 300.362 0.527 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000083246921 396314838 /nfs/dbraw/zinc/31/48/38/396314838.db2.gz DXDLNCBFMSXJAM-QGZVFWFLSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OCCC(C)C)C2)CC1 ZINC000083246921 396314843 /nfs/dbraw/zinc/31/48/43/396314843.db2.gz DXDLNCBFMSXJAM-QGZVFWFLSA-N 2 2 321.465 0.901 20 30 DCEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580049392 396484820 /nfs/dbraw/zinc/48/48/20/396484820.db2.gz QMVREPSXKVRQIP-GFCCVEGCSA-N 2 2 303.366 0.673 20 30 DCEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580049392 396484821 /nfs/dbraw/zinc/48/48/21/396484821.db2.gz QMVREPSXKVRQIP-GFCCVEGCSA-N 2 2 303.366 0.673 20 30 DCEDLP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[NH+]1CCOCC1 ZINC000321095065 396815794 /nfs/dbraw/zinc/81/57/94/396815794.db2.gz VILJQNDBBKHUHU-MRXNPFEDSA-N 2 2 319.405 0.610 20 30 DCEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602593554 397445129 /nfs/dbraw/zinc/44/51/29/397445129.db2.gz JJJXENQUOQHNPZ-GJZGRUSLSA-N 2 2 308.426 0.449 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258101 397765599 /nfs/dbraw/zinc/76/55/99/397765599.db2.gz MARGCUJHBATBHQ-OLZOCXBDSA-N 2 2 305.382 0.920 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258101 397765601 /nfs/dbraw/zinc/76/56/01/397765601.db2.gz MARGCUJHBATBHQ-OLZOCXBDSA-N 2 2 305.382 0.920 20 30 DCEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000107369489 415668904 /nfs/dbraw/zinc/66/89/04/415668904.db2.gz CFFRKAXIKNOSRG-JKSUJKDBSA-N 2 2 321.469 0.459 20 30 DCEDLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000107369489 415668911 /nfs/dbraw/zinc/66/89/11/415668911.db2.gz CFFRKAXIKNOSRG-JKSUJKDBSA-N 2 2 321.469 0.459 20 30 DCEDLP C#CCNC(=O)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000293048378 415852940 /nfs/dbraw/zinc/85/29/40/415852940.db2.gz KJIPVINHTMUOSE-UHFFFAOYSA-N 2 2 302.378 0.352 20 30 DCEDLP C#CCNC(NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)=[NH+]C ZINC000262771678 416337057 /nfs/dbraw/zinc/33/70/57/416337057.db2.gz HWBZMYCXTCEWFP-UHFFFAOYSA-N 3 2 305.470 0.735 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000490628237 416571259 /nfs/dbraw/zinc/57/12/59/416571259.db2.gz FVQYEKVSUQZBPD-HNNXBMFYSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC000490742131 416575023 /nfs/dbraw/zinc/57/50/23/416575023.db2.gz VJVDQHJUOVXPDF-UHFFFAOYSA-N 2 2 305.422 0.266 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC3(C2)CCOCC3)CC1 ZINC000490742131 416575027 /nfs/dbraw/zinc/57/50/27/416575027.db2.gz VJVDQHJUOVXPDF-UHFFFAOYSA-N 2 2 305.422 0.266 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000490866079 416578194 /nfs/dbraw/zinc/57/81/94/416578194.db2.gz LUVMIGKCTLNIQQ-HOTGVXAUSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000490866079 416578197 /nfs/dbraw/zinc/57/81/97/416578197.db2.gz LUVMIGKCTLNIQQ-HOTGVXAUSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000491792253 416628939 /nfs/dbraw/zinc/62/89/39/416628939.db2.gz DNUKLQHCYGNYEV-UHFFFAOYSA-N 2 2 303.410 0.974 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000491792253 416628941 /nfs/dbraw/zinc/62/89/41/416628941.db2.gz DNUKLQHCYGNYEV-UHFFFAOYSA-N 2 2 303.410 0.974 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659809642 418182680 /nfs/dbraw/zinc/18/26/80/418182680.db2.gz HQRVJIHQJPMBOG-HZPDHXFCSA-N 2 2 324.469 0.015 20 30 DCEDLP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1 ZINC000655939097 418304802 /nfs/dbraw/zinc/30/48/02/418304802.db2.gz JTQMGUQEJPCRKS-OAHLLOKOSA-N 2 2 320.441 0.674 20 30 DCEDLP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1 ZINC000655939097 418304805 /nfs/dbraw/zinc/30/48/05/418304805.db2.gz JTQMGUQEJPCRKS-OAHLLOKOSA-N 2 2 320.441 0.674 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294440 279172604 /nfs/dbraw/zinc/17/26/04/279172604.db2.gz KTPDTOPIVBACCC-OWCLPIDISA-N 2 2 322.453 0.932 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371294440 279172605 /nfs/dbraw/zinc/17/26/05/279172605.db2.gz KTPDTOPIVBACCC-OWCLPIDISA-N 2 2 322.453 0.932 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC)C2CCOCC2)CC1 ZINC000490914238 332905490 /nfs/dbraw/zinc/90/54/90/332905490.db2.gz GUYJVSKJEQMOLS-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]([NH+](CC)CC)C2)CC1 ZINC000491338218 333023760 /nfs/dbraw/zinc/02/37/60/333023760.db2.gz HASPYULWBWOBCI-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP COCC[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330245414 336129168 /nfs/dbraw/zinc/12/91/68/336129168.db2.gz DSGVLSMGMJUHNA-ZDUSSCGKSA-N 2 2 307.398 0.376 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cn1 ZINC000424157123 337784247 /nfs/dbraw/zinc/78/42/47/337784247.db2.gz QRHYAVCRFDTXQV-AWEZNQCLSA-N 2 2 304.398 0.085 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000490764067 339839851 /nfs/dbraw/zinc/83/98/51/339839851.db2.gz ZEQSVQDPJPXQDD-UHFFFAOYSA-N 3 2 320.481 0.474 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000490780648 339840151 /nfs/dbraw/zinc/84/01/51/339840151.db2.gz NNAPKRDOARZSHF-KRWDZBQOSA-N 2 2 318.465 0.324 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000305800754 340389298 /nfs/dbraw/zinc/38/92/98/340389298.db2.gz HPQIXMOOHLALRY-HOTGVXAUSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000305800754 340389299 /nfs/dbraw/zinc/38/92/99/340389299.db2.gz HPQIXMOOHLALRY-HOTGVXAUSA-N 2 2 307.438 0.247 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567841186 1160497159 /nfs/dbraw/zinc/49/71/59/1160497159.db2.gz RXXATHKWNGIWKX-OCCSQVGLSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001675115413 1175330857 /nfs/dbraw/zinc/33/08/57/1175330857.db2.gz PRZDLXCYLDWTDD-GASCZTMLSA-N 2 2 309.454 0.988 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001675176079 1175333615 /nfs/dbraw/zinc/33/36/15/1175333615.db2.gz VGWVNTBOULMPDG-OAHLLOKOSA-N 2 2 307.438 0.749 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001675176079 1175333618 /nfs/dbraw/zinc/33/36/18/1175333618.db2.gz VGWVNTBOULMPDG-OAHLLOKOSA-N 2 2 307.438 0.749 20 30 DCEDLP C#CC[N@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000981864012 661237140 /nfs/dbraw/zinc/23/71/40/661237140.db2.gz IAXVFBGCZGCJPC-UHFFFAOYSA-N 2 2 316.405 0.907 20 30 DCEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000981864012 661237141 /nfs/dbraw/zinc/23/71/41/661237141.db2.gz IAXVFBGCZGCJPC-UHFFFAOYSA-N 2 2 316.405 0.907 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001022220965 657567317 /nfs/dbraw/zinc/56/73/17/657567317.db2.gz UWRUJEQDLJBDQN-SCRDCRAPSA-N 2 2 319.434 0.373 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2csnn2)C1 ZINC001022220965 657567325 /nfs/dbraw/zinc/56/73/25/657567325.db2.gz UWRUJEQDLJBDQN-SCRDCRAPSA-N 2 2 319.434 0.373 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673248 658221298 /nfs/dbraw/zinc/22/12/98/658221298.db2.gz GECWVAXKQXSTSQ-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673248 658221300 /nfs/dbraw/zinc/22/13/00/658221300.db2.gz GECWVAXKQXSTSQ-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673248 658221302 /nfs/dbraw/zinc/22/13/02/658221302.db2.gz GECWVAXKQXSTSQ-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673248 658221305 /nfs/dbraw/zinc/22/13/05/658221305.db2.gz GECWVAXKQXSTSQ-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996160 658327942 /nfs/dbraw/zinc/32/79/42/658327942.db2.gz IBLFNYTUNBQZFY-UONOGXRCSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972410674 658733902 /nfs/dbraw/zinc/73/39/02/658733902.db2.gz UGKHZKYDNUFDOK-GOSISDBHSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972410674 658733910 /nfs/dbraw/zinc/73/39/10/658733910.db2.gz UGKHZKYDNUFDOK-GOSISDBHSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972410674 658733914 /nfs/dbraw/zinc/73/39/14/658733914.db2.gz UGKHZKYDNUFDOK-GOSISDBHSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972410674 658733925 /nfs/dbraw/zinc/73/39/25/658733925.db2.gz UGKHZKYDNUFDOK-GOSISDBHSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972419199 658742763 /nfs/dbraw/zinc/74/27/63/658742763.db2.gz BZHIJHWIVRWCOP-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419199 658742764 /nfs/dbraw/zinc/74/27/64/658742764.db2.gz BZHIJHWIVRWCOP-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419199 658742767 /nfs/dbraw/zinc/74/27/67/658742767.db2.gz BZHIJHWIVRWCOP-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000972419199 658742769 /nfs/dbraw/zinc/74/27/69/658742769.db2.gz BZHIJHWIVRWCOP-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486036 658875502 /nfs/dbraw/zinc/87/55/02/658875502.db2.gz DQZCHCITAOICCV-KRWDZBQOSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486036 658875506 /nfs/dbraw/zinc/87/55/06/658875506.db2.gz DQZCHCITAOICCV-KRWDZBQOSA-N 2 2 316.405 0.600 20 30 DCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019799630 659614766 /nfs/dbraw/zinc/61/47/66/659614766.db2.gz XFWGAGAWERXUGR-JKSUJKDBSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001031868905 665700036 /nfs/dbraw/zinc/70/00/36/665700036.db2.gz MJFOMXFPCZSWOF-CVEARBPZSA-N 2 2 323.437 0.100 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641313 661714143 /nfs/dbraw/zinc/71/41/43/661714143.db2.gz DJKCMNXRYOWUQV-UONOGXRCSA-N 2 2 300.406 0.894 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001028641313 661714144 /nfs/dbraw/zinc/71/41/44/661714144.db2.gz DJKCMNXRYOWUQV-UONOGXRCSA-N 2 2 300.406 0.894 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641313 661714145 /nfs/dbraw/zinc/71/41/45/661714145.db2.gz DJKCMNXRYOWUQV-UONOGXRCSA-N 2 2 300.406 0.894 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001028641313 661714147 /nfs/dbraw/zinc/71/41/47/661714147.db2.gz DJKCMNXRYOWUQV-UONOGXRCSA-N 2 2 300.406 0.894 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641672 661714638 /nfs/dbraw/zinc/71/46/38/661714638.db2.gz ITDQULGDELNWLD-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641672 661714639 /nfs/dbraw/zinc/71/46/39/661714639.db2.gz ITDQULGDELNWLD-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925452609 665169452 /nfs/dbraw/zinc/16/94/52/665169452.db2.gz XBVDZMYFBOXYGU-CABCVRRESA-N 2 2 322.453 0.837 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941677822 666040145 /nfs/dbraw/zinc/04/01/45/666040145.db2.gz WMUCQYCOHVNXAG-UHFFFAOYSA-N 2 2 318.465 0.324 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942207112 666127954 /nfs/dbraw/zinc/12/79/54/666127954.db2.gz JNWCMLHHCIIYPH-GXTWGEPZSA-N 2 2 304.394 0.810 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942207112 666127956 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30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389884 667319497 /nfs/dbraw/zinc/31/94/97/667319497.db2.gz RWGOJEHWXKWJNQ-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000748818604 667939289 /nfs/dbraw/zinc/93/92/89/667939289.db2.gz ZIZALPMKYYVMMA-MRXNPFEDSA-N 2 2 315.421 0.297 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000748818604 667939291 /nfs/dbraw/zinc/93/92/91/667939291.db2.gz ZIZALPMKYYVMMA-MRXNPFEDSA-N 2 2 315.421 0.297 20 30 DCEDLP N#CC[C@@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)CC#N)C2)C1 ZINC000930511404 669033081 /nfs/dbraw/zinc/03/30/81/669033081.db2.gz IGAUFYBPTFUWFN-YNPPLXCJSA-N 2 2 320.437 0.714 20 30 DCEDLP N#CC[C@@H](O)C[NH+]1CCCC2(CCC[N@H+](C[C@H](O)CC#N)C2)C1 ZINC000930511404 669033087 /nfs/dbraw/zinc/03/30/87/669033087.db2.gz IGAUFYBPTFUWFN-YNPPLXCJSA-N 2 2 320.437 0.714 20 30 DCEDLP CCN(CCC#N)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592997 669070405 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ZOZIXPMBIZZHSL-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001725198622 1184720989 /nfs/dbraw/zinc/72/09/89/1184720989.db2.gz ZOZIXPMBIZZHSL-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001725198622 1184720992 /nfs/dbraw/zinc/72/09/92/1184720992.db2.gz ZOZIXPMBIZZHSL-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725695425 1184947384 /nfs/dbraw/zinc/94/73/84/1184947384.db2.gz NRKAXRCAAGJUKX-OAHLLOKOSA-N 2 2 314.389 0.689 20 30 DCEDLP COCC#CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001753300930 1185192579 /nfs/dbraw/zinc/19/25/79/1185192579.db2.gz QPFNTPRCFCSIRG-UHFFFAOYSA-N 2 2 306.410 0.819 20 30 DCEDLP COCC#CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001753300930 1185192584 /nfs/dbraw/zinc/19/25/84/1185192584.db2.gz QPFNTPRCFCSIRG-UHFFFAOYSA-N 2 2 306.410 0.819 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001731247863 1185213216 /nfs/dbraw/zinc/21/32/16/1185213216.db2.gz LWRSJGOSLISLOI-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001731247863 1185213220 /nfs/dbraw/zinc/21/32/20/1185213220.db2.gz LWRSJGOSLISLOI-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=C(C)CC[NH+]1CCN(CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001731364207 1185298314 /nfs/dbraw/zinc/29/83/14/1185298314.db2.gz BXVAZNDNPHCGQD-UHFFFAOYSA-N 2 2 319.453 0.973 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731790309 1185490868 /nfs/dbraw/zinc/49/08/68/1185490868.db2.gz ZWGGNZZATRUBQL-OAHLLOKOSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001731790309 1185490871 /nfs/dbraw/zinc/49/08/71/1185490871.db2.gz ZWGGNZZATRUBQL-OAHLLOKOSA-N 2 2 324.469 0.457 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001731897924 1185556586 /nfs/dbraw/zinc/55/65/86/1185556586.db2.gz CQBSFLJCHLOHAG-LLVKDONJSA-N 2 2 320.231 0.274 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001731897924 1185556591 /nfs/dbraw/zinc/55/65/91/1185556591.db2.gz CQBSFLJCHLOHAG-LLVKDONJSA-N 2 2 320.231 0.274 20 30 DCEDLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001732070008 1185658450 /nfs/dbraw/zinc/65/84/50/1185658450.db2.gz APGMAYAIWASEDI-MRXNPFEDSA-N 2 2 318.421 0.915 20 30 DCEDLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001732070008 1185658454 /nfs/dbraw/zinc/65/84/54/1185658454.db2.gz APGMAYAIWASEDI-MRXNPFEDSA-N 2 2 318.421 0.915 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001732450098 1185823193 /nfs/dbraw/zinc/82/31/93/1185823193.db2.gz SHTGXKMVKVEAIM-OLZOCXBDSA-N 2 2 321.425 0.090 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001733050360 1186117138 /nfs/dbraw/zinc/11/71/38/1186117138.db2.gz RFFVPBFIRPMNAX-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001733050360 1186117142 /nfs/dbraw/zinc/11/71/42/1186117142.db2.gz RFFVPBFIRPMNAX-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001733050360 1186117146 /nfs/dbraw/zinc/11/71/46/1186117146.db2.gz RFFVPBFIRPMNAX-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001733050360 1186117151 /nfs/dbraw/zinc/11/71/51/1186117151.db2.gz RFFVPBFIRPMNAX-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733080789 1186128676 /nfs/dbraw/zinc/12/86/76/1186128676.db2.gz WZXVBLAGFULQKG-HOCLYGCPSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[N@H+]1CC[C@@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001733404431 1186259128 /nfs/dbraw/zinc/25/91/28/1186259128.db2.gz QHPZMRGAKPDZSZ-QGZVFWFLSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CC[C@@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001733404431 1186259136 /nfs/dbraw/zinc/25/91/36/1186259136.db2.gz QHPZMRGAKPDZSZ-QGZVFWFLSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC001733472565 1186281181 /nfs/dbraw/zinc/28/11/81/1186281181.db2.gz TVMOCQMDRSCATG-CQSZACIVSA-N 2 2 316.405 0.334 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001733739766 1186423807 /nfs/dbraw/zinc/42/38/07/1186423807.db2.gz ZYFHLXLQGPBXOU-HNNXBMFYSA-N 2 2 317.389 0.473 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001733784587 1186446361 /nfs/dbraw/zinc/44/63/61/1186446361.db2.gz SZWRKORZKHETAE-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001733784587 1186446366 /nfs/dbraw/zinc/44/63/66/1186446366.db2.gz SZWRKORZKHETAE-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734332481 1186616225 /nfs/dbraw/zinc/61/62/25/1186616225.db2.gz ISFUXGIVOPQTLJ-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001734367550 1186628017 /nfs/dbraw/zinc/62/80/17/1186628017.db2.gz BJQFHQNXQMWLIQ-CQSZACIVSA-N 2 2 306.410 0.405 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001750936761 1188360522 /nfs/dbraw/zinc/36/05/22/1188360522.db2.gz JROWNOLSJIBRNQ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001750936761 1188360526 /nfs/dbraw/zinc/36/05/26/1188360526.db2.gz JROWNOLSJIBRNQ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001750936761 1188360528 /nfs/dbraw/zinc/36/05/28/1188360528.db2.gz JROWNOLSJIBRNQ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001750936761 1188360531 /nfs/dbraw/zinc/36/05/31/1188360531.db2.gz JROWNOLSJIBRNQ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001752375579 1188419372 /nfs/dbraw/zinc/41/93/72/1188419372.db2.gz QFCWKPXHFKPTBC-IAGOWNOFSA-N 2 2 320.481 0.474 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001752471422 1188424221 /nfs/dbraw/zinc/42/42/21/1188424221.db2.gz OFERTUGOJOMESG-HOCLYGCPSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001752509007 1188426460 /nfs/dbraw/zinc/42/64/60/1188426460.db2.gz AYHZCIQOVZLCPY-HOCLYGCPSA-N 2 2 318.421 0.968 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001753056079 1188486688 /nfs/dbraw/zinc/48/66/88/1188486688.db2.gz OYNIEUGSWPSOJB-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001753056079 1188486690 /nfs/dbraw/zinc/48/66/90/1188486690.db2.gz OYNIEUGSWPSOJB-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccnn1C ZINC001753083648 1188493170 /nfs/dbraw/zinc/49/31/70/1188493170.db2.gz MJMTXLGLUFNTAU-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccnn1C ZINC001753083648 1188493171 /nfs/dbraw/zinc/49/31/71/1188493171.db2.gz MJMTXLGLUFNTAU-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccnn1C ZINC001753083648 1188493172 /nfs/dbraw/zinc/49/31/72/1188493172.db2.gz MJMTXLGLUFNTAU-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccnn1C ZINC001753083648 1188493174 /nfs/dbraw/zinc/49/31/74/1188493174.db2.gz MJMTXLGLUFNTAU-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001753330882 1188565303 /nfs/dbraw/zinc/56/53/03/1188565303.db2.gz OAFPUVVPNUJZEH-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001753330882 1188565309 /nfs/dbraw/zinc/56/53/09/1188565309.db2.gz OAFPUVVPNUJZEH-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753633108 1188627349 /nfs/dbraw/zinc/62/73/49/1188627349.db2.gz BONKQZZJTNZJGQ-CABCVRRESA-N 2 2 306.410 0.826 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753633109 1188627435 /nfs/dbraw/zinc/62/74/35/1188627435.db2.gz BONKQZZJTNZJGQ-GJZGRUSLSA-N 2 2 306.410 0.826 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754180523 1188773326 /nfs/dbraw/zinc/77/33/26/1188773326.db2.gz DQMBQWHUYZMNID-RDFMZFSFSA-N 2 2 304.394 0.500 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001754317671 1188820070 /nfs/dbraw/zinc/82/00/70/1188820070.db2.gz BQHIEMFFYBCHAH-JSGCOSHPSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001754317671 1188820075 /nfs/dbraw/zinc/82/00/75/1188820075.db2.gz BQHIEMFFYBCHAH-JSGCOSHPSA-N 2 2 321.425 0.319 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755306658 1189076325 /nfs/dbraw/zinc/07/63/25/1189076325.db2.gz PFQYQFAQQUANOS-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755306658 1189076328 /nfs/dbraw/zinc/07/63/28/1189076328.db2.gz PFQYQFAQQUANOS-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001755448323 1189115494 /nfs/dbraw/zinc/11/54/94/1189115494.db2.gz QYHXVBOXYSEXRX-GOEBONIOSA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001755662747 1189178174 /nfs/dbraw/zinc/17/81/74/1189178174.db2.gz GKNUMDJMOJURRV-GDBMZVCRSA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001755662280 1189178223 /nfs/dbraw/zinc/17/82/23/1189178223.db2.gz CGJKSZOUTBPOQW-UONOGXRCSA-N 2 2 304.394 0.489 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001755766420 1189204439 /nfs/dbraw/zinc/20/44/39/1189204439.db2.gz KDIFOWOCEYDASK-CQSZACIVSA-N 2 2 304.394 0.360 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001755793142 1189216993 /nfs/dbraw/zinc/21/69/93/1189216993.db2.gz OMFJSUQLJJDYRN-HIFRSBDPSA-N 2 2 306.410 0.431 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780517 751735203 /nfs/dbraw/zinc/73/52/03/751735203.db2.gz AYNBEHLPFKNSJS-CFVMTHIKSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780517 751735206 /nfs/dbraw/zinc/73/52/06/751735206.db2.gz AYNBEHLPFKNSJS-CFVMTHIKSA-N 2 2 304.394 0.101 20 30 DCEDLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001125220532 751842656 /nfs/dbraw/zinc/84/26/56/751842656.db2.gz ISWCUXBPHDHHBI-HNNXBMFYSA-N 2 2 320.368 0.234 20 30 DCEDLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001125220532 751842671 /nfs/dbraw/zinc/84/26/71/751842671.db2.gz ISWCUXBPHDHHBI-HNNXBMFYSA-N 2 2 320.368 0.234 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)CCC[NH+](C)C)nn2)C1 ZINC001107199900 751945753 /nfs/dbraw/zinc/94/57/53/751945753.db2.gz SNGMOFZMECSDCB-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783151 751970170 /nfs/dbraw/zinc/97/01/70/751970170.db2.gz CCMHNVCEVHFVRG-SJORKVTESA-N 2 2 315.417 0.199 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083783151 751970173 /nfs/dbraw/zinc/97/01/73/751970173.db2.gz CCMHNVCEVHFVRG-SJORKVTESA-N 2 2 315.417 0.199 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251517 750296005 /nfs/dbraw/zinc/29/60/05/750296005.db2.gz FBOMTBXEFFQUBY-BPLDGKMQSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251517 750296008 /nfs/dbraw/zinc/29/60/08/750296008.db2.gz FBOMTBXEFFQUBY-BPLDGKMQSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583812 750415992 /nfs/dbraw/zinc/41/59/92/750415992.db2.gz SOEKXSJQSSAJGA-KFWWJZLASA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583812 750415995 /nfs/dbraw/zinc/41/59/95/750415995.db2.gz SOEKXSJQSSAJGA-KFWWJZLASA-N 2 2 318.421 0.573 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001112977336 762063229 /nfs/dbraw/zinc/06/32/29/762063229.db2.gz YKOZRWZMEQKJPS-CVEARBPZSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001112977336 762063236 /nfs/dbraw/zinc/06/32/36/762063236.db2.gz YKOZRWZMEQKJPS-CVEARBPZSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CC2CC2)CCO1 ZINC001108001779 752891133 /nfs/dbraw/zinc/89/11/33/752891133.db2.gz MWKRSJCWDGZCCO-FUHWJXTLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CC2CC2)CCO1 ZINC001108001779 752891141 /nfs/dbraw/zinc/89/11/41/752891141.db2.gz MWKRSJCWDGZCCO-FUHWJXTLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CC2CC2)CCO1 ZINC001108001779 752891148 /nfs/dbraw/zinc/89/11/48/752891148.db2.gz MWKRSJCWDGZCCO-FUHWJXTLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CC2CC2)CCO1 ZINC001108001779 752891155 /nfs/dbraw/zinc/89/11/55/752891155.db2.gz MWKRSJCWDGZCCO-FUHWJXTLSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049687 753447700 /nfs/dbraw/zinc/44/77/00/753447700.db2.gz VJVJUXJACYUSOS-MRXNPFEDSA-N 2 2 317.437 0.678 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049687 753447707 /nfs/dbraw/zinc/44/77/07/753447707.db2.gz VJVJUXJACYUSOS-MRXNPFEDSA-N 2 2 317.437 0.678 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088732 753474861 /nfs/dbraw/zinc/47/48/61/753474861.db2.gz UKGVETUWSOIXII-OAHLLOKOSA-N 2 2 303.410 0.288 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088732 753474864 /nfs/dbraw/zinc/47/48/64/753474864.db2.gz UKGVETUWSOIXII-OAHLLOKOSA-N 2 2 303.410 0.288 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831313 753955915 /nfs/dbraw/zinc/95/59/15/753955915.db2.gz GSQNUXZQEKMGIZ-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831313 753955919 /nfs/dbraw/zinc/95/59/19/753955919.db2.gz GSQNUXZQEKMGIZ-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129043742 754499846 /nfs/dbraw/zinc/49/98/46/754499846.db2.gz WKNHCAGXZKLIBS-KGLIPLIRSA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129043742 754499848 /nfs/dbraw/zinc/49/98/48/754499848.db2.gz WKNHCAGXZKLIBS-KGLIPLIRSA-N 2 2 318.425 0.290 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC001048833721 754967613 /nfs/dbraw/zinc/96/76/13/754967613.db2.gz SSLZZOHKKNFTIF-GASCZTMLSA-N 2 2 312.417 0.785 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC001048833721 754967617 /nfs/dbraw/zinc/96/76/17/754967617.db2.gz SSLZZOHKKNFTIF-GASCZTMLSA-N 2 2 312.417 0.785 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362025 755694219 /nfs/dbraw/zinc/69/42/19/755694219.db2.gz SRUGAFLAJYEVET-UKRRQHHQSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362025 755694220 /nfs/dbraw/zinc/69/42/20/755694220.db2.gz SRUGAFLAJYEVET-UKRRQHHQSA-N 2 2 300.362 0.914 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079993669 756064807 /nfs/dbraw/zinc/06/48/07/756064807.db2.gz VKNIVCMTEBZOQE-IJEWVQPXSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001079993669 756064811 /nfs/dbraw/zinc/06/48/11/756064811.db2.gz VKNIVCMTEBZOQE-IJEWVQPXSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001053533619 756082282 /nfs/dbraw/zinc/08/22/82/756082282.db2.gz ZHQBJQJBNMPJMP-UHFFFAOYSA-N 2 2 304.394 0.681 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698111 756150895 /nfs/dbraw/zinc/15/08/95/756150895.db2.gz DFPVCDIOUNHXSG-HUUCEWRRSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698111 756150898 /nfs/dbraw/zinc/15/08/98/756150898.db2.gz DFPVCDIOUNHXSG-HUUCEWRRSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)CO2 ZINC001053822291 756223323 /nfs/dbraw/zinc/22/33/23/756223323.db2.gz KLESTQWRGHEOMD-JKSUJKDBSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822291 756223324 /nfs/dbraw/zinc/22/33/24/756223324.db2.gz KLESTQWRGHEOMD-JKSUJKDBSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799524 756811724 /nfs/dbraw/zinc/81/17/24/756811724.db2.gz TUAWNQPNIRSLSB-MGPQQGTHSA-N 2 2 304.394 0.762 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799524 756811729 /nfs/dbraw/zinc/81/17/29/756811729.db2.gz TUAWNQPNIRSLSB-MGPQQGTHSA-N 2 2 304.394 0.762 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085601900 759115401 /nfs/dbraw/zinc/11/54/01/759115401.db2.gz KEQMJEGLIXMBRD-AWEZNQCLSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085601900 759115403 /nfs/dbraw/zinc/11/54/03/759115403.db2.gz KEQMJEGLIXMBRD-AWEZNQCLSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081479 759164986 /nfs/dbraw/zinc/16/49/86/759164986.db2.gz BYDTULKEBPAOQU-IRXDYDNUSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081479 759164989 /nfs/dbraw/zinc/16/49/89/759164989.db2.gz BYDTULKEBPAOQU-IRXDYDNUSA-N 2 2 318.465 0.322 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001100074101 760123349 /nfs/dbraw/zinc/12/33/49/760123349.db2.gz JFRGUEYPILTOKG-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001100074101 760123353 /nfs/dbraw/zinc/12/33/53/760123353.db2.gz JFRGUEYPILTOKG-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108551833 760862469 /nfs/dbraw/zinc/86/24/69/760862469.db2.gz CKJVHUSBFGXBKK-DZGCQCFKSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027338 761041684 /nfs/dbraw/zinc/04/16/84/761041684.db2.gz ZZZJSWWJMOZFPO-ZNMIVQPWSA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027338 761041693 /nfs/dbraw/zinc/04/16/93/761041693.db2.gz ZZZJSWWJMOZFPO-ZNMIVQPWSA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027338 761041704 /nfs/dbraw/zinc/04/17/04/761041704.db2.gz ZZZJSWWJMOZFPO-ZNMIVQPWSA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070027338 761041713 /nfs/dbraw/zinc/04/17/13/761041713.db2.gz ZZZJSWWJMOZFPO-ZNMIVQPWSA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028774 761043952 /nfs/dbraw/zinc/04/39/52/761043952.db2.gz CTWZTXLQSSKZLY-KFWWJZLASA-N 2 2 318.425 0.147 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028774 761043963 /nfs/dbraw/zinc/04/39/63/761043963.db2.gz CTWZTXLQSSKZLY-KFWWJZLASA-N 2 2 318.425 0.147 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028774 761043972 /nfs/dbraw/zinc/04/39/72/761043972.db2.gz CTWZTXLQSSKZLY-KFWWJZLASA-N 2 2 318.425 0.147 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028774 761043981 /nfs/dbraw/zinc/04/39/81/761043981.db2.gz CTWZTXLQSSKZLY-KFWWJZLASA-N 2 2 318.425 0.147 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194925 761694816 /nfs/dbraw/zinc/69/48/16/761694816.db2.gz POQLGKCVTJBOGN-DOTOQJQBSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194925 761694819 /nfs/dbraw/zinc/69/48/19/761694819.db2.gz POQLGKCVTJBOGN-DOTOQJQBSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071222486 761717923 /nfs/dbraw/zinc/71/79/23/761717923.db2.gz CQTQGNDJYFLUOI-PBHICJAKSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071222486 761717928 /nfs/dbraw/zinc/71/79/28/761717928.db2.gz CQTQGNDJYFLUOI-PBHICJAKSA-N 2 2 316.405 0.667 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248955 761738873 /nfs/dbraw/zinc/73/88/73/761738873.db2.gz WOYOBRWPFRTEAP-WBVHZDCISA-N 2 2 316.405 0.598 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248955 761738879 /nfs/dbraw/zinc/73/88/79/761738879.db2.gz WOYOBRWPFRTEAP-WBVHZDCISA-N 2 2 316.405 0.598 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098773630 762727928 /nfs/dbraw/zinc/72/79/28/762727928.db2.gz LAROLNFFHKBKTH-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098773630 762727929 /nfs/dbraw/zinc/72/79/29/762727929.db2.gz LAROLNFFHKBKTH-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773630 762727932 /nfs/dbraw/zinc/72/79/32/762727932.db2.gz LAROLNFFHKBKTH-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773630 762727934 /nfs/dbraw/zinc/72/79/34/762727934.db2.gz LAROLNFFHKBKTH-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914321 762751969 /nfs/dbraw/zinc/75/19/69/762751969.db2.gz RIRHGGHRQJYYPF-GUYCJALGSA-N 2 2 316.405 0.954 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001098914321 762751972 /nfs/dbraw/zinc/75/19/72/762751972.db2.gz RIRHGGHRQJYYPF-GUYCJALGSA-N 2 2 316.405 0.954 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001099315398 762861913 /nfs/dbraw/zinc/86/19/13/762861913.db2.gz VGONNIMLVCPWHD-GHMZBOCLSA-N 2 2 300.284 0.564 20 30 DCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929366 763134416 /nfs/dbraw/zinc/13/44/16/763134416.db2.gz XQRIYYIUMOQENL-GJZGRUSLSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929366 763134426 /nfs/dbraw/zinc/13/44/26/763134426.db2.gz XQRIYYIUMOQENL-GJZGRUSLSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(Br)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149552961 768121192 /nfs/dbraw/zinc/12/11/92/768121192.db2.gz CVVCXCVDKRXUTB-UHFFFAOYSA-N 2 2 315.215 0.967 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199973 768240372 /nfs/dbraw/zinc/24/03/72/768240372.db2.gz YXEZMHRBABXDRD-PBHICJAKSA-N 2 2 300.406 0.766 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199973 768240373 /nfs/dbraw/zinc/24/03/73/768240373.db2.gz YXEZMHRBABXDRD-PBHICJAKSA-N 2 2 300.406 0.766 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135506 764840384 /nfs/dbraw/zinc/84/03/84/764840384.db2.gz SOCYRFBWRBIIJF-GJZGRUSLSA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227412 765425258 /nfs/dbraw/zinc/42/52/58/765425258.db2.gz GQUDLMRYOQLIMB-ZIAGYGMSSA-N 2 2 306.410 0.865 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727093 766522067 /nfs/dbraw/zinc/52/20/67/766522067.db2.gz HHCYFYLHGXPEHZ-GJZGRUSLSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727093 766522069 /nfs/dbraw/zinc/52/20/69/766522069.db2.gz HHCYFYLHGXPEHZ-GJZGRUSLSA-N 2 2 306.410 0.480 20 30 DCEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144166563 766823716 /nfs/dbraw/zinc/82/37/16/766823716.db2.gz KXEBCXBDZVZSOV-OAHLLOKOSA-N 2 2 301.394 0.595 20 30 DCEDLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC001144166563 766823726 /nfs/dbraw/zinc/82/37/26/766823726.db2.gz KXEBCXBDZVZSOV-OAHLLOKOSA-N 2 2 301.394 0.595 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001091075837 766892829 /nfs/dbraw/zinc/89/28/29/766892829.db2.gz CDIUYNWYOUJPOT-PIMMBPRGSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2cnon2)C1 ZINC001091075837 766892840 /nfs/dbraw/zinc/89/28/40/766892840.db2.gz CDIUYNWYOUJPOT-PIMMBPRGSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150663747 769154675 /nfs/dbraw/zinc/15/46/75/769154675.db2.gz NSKVSHRBTDESAN-INIZCTEOSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150663747 769154678 /nfs/dbraw/zinc/15/46/78/769154678.db2.gz NSKVSHRBTDESAN-INIZCTEOSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2=O)C1 ZINC001094749718 769249595 /nfs/dbraw/zinc/24/95/95/769249595.db2.gz FOPIPUDTIWAVCS-UKRRQHHQSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2=O)C1 ZINC001094749718 769249599 /nfs/dbraw/zinc/24/95/99/769249599.db2.gz FOPIPUDTIWAVCS-UKRRQHHQSA-N 2 2 320.437 0.058 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001152330701 769529269 /nfs/dbraw/zinc/52/92/69/769529269.db2.gz STJGACLVLSVMSC-UHFFFAOYSA-N 2 2 307.423 0.089 20 30 DCEDLP N#Cc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cc1F ZINC001153487520 769825548 /nfs/dbraw/zinc/82/55/48/769825548.db2.gz BJJCVGMYFHSSCS-UHFFFAOYSA-N 2 2 301.325 0.800 20 30 DCEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176686310 770154335 /nfs/dbraw/zinc/15/43/35/770154335.db2.gz VGIKLFWYOAGCKK-NVXWUHKLSA-N 2 2 321.465 0.995 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087982 770332245 /nfs/dbraw/zinc/33/22/45/770332245.db2.gz HWMVAQHCVMARIM-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087982 770332257 /nfs/dbraw/zinc/33/22/57/770332257.db2.gz HWMVAQHCVMARIM-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP N#Cc1ncc(Cl)nc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155373431 770481803 /nfs/dbraw/zinc/48/18/03/770481803.db2.gz QIYZZMUCZKVVFD-LLVKDONJSA-N 2 2 306.801 0.861 20 30 DCEDLP C=CCNC(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206590 771740739 /nfs/dbraw/zinc/74/07/39/771740739.db2.gz VQCGDXMVPODANK-LLVKDONJSA-N 2 2 301.350 0.045 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185787310 771955208 /nfs/dbraw/zinc/95/52/08/771955208.db2.gz DXOWWIDHWOLEAU-CVEARBPZSA-N 2 2 318.421 0.607 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(CC)no1 ZINC001160209725 772009811 /nfs/dbraw/zinc/00/98/11/772009811.db2.gz URRODWSVBYICTB-ZDUSSCGKSA-N 2 2 319.409 0.326 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(CC)no1 ZINC001160209725 772009815 /nfs/dbraw/zinc/00/98/15/772009815.db2.gz URRODWSVBYICTB-ZDUSSCGKSA-N 2 2 319.409 0.326 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001160432491 772036605 /nfs/dbraw/zinc/03/66/05/772036605.db2.gz XUKLVUJTPVUWHM-JKSUJKDBSA-N 2 2 306.454 0.391 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420180 772182711 /nfs/dbraw/zinc/18/27/11/772182711.db2.gz DAOMGUHAMHFFRO-CHWSQXEVSA-N 2 2 319.409 0.142 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001187431939 772189834 /nfs/dbraw/zinc/18/98/34/772189834.db2.gz JFAIEYPLEMGJJS-ARFHVFGLSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001187431939 772189838 /nfs/dbraw/zinc/18/98/38/772189838.db2.gz JFAIEYPLEMGJJS-ARFHVFGLSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187431939 772189843 /nfs/dbraw/zinc/18/98/43/772189843.db2.gz JFAIEYPLEMGJJS-ARFHVFGLSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187431939 772189846 /nfs/dbraw/zinc/18/98/46/772189846.db2.gz JFAIEYPLEMGJJS-ARFHVFGLSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190948054 772696230 /nfs/dbraw/zinc/69/62/30/772696230.db2.gz TVFBHRNXFDULSI-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190948054 772696234 /nfs/dbraw/zinc/69/62/34/772696234.db2.gz TVFBHRNXFDULSI-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190948054 772696238 /nfs/dbraw/zinc/69/62/38/772696238.db2.gz TVFBHRNXFDULSI-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205433579 772992721 /nfs/dbraw/zinc/99/27/21/772992721.db2.gz YYJMOMLFJYZPNQ-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205433579 772992724 /nfs/dbraw/zinc/99/27/24/772992724.db2.gz YYJMOMLFJYZPNQ-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205553120 773000454 /nfs/dbraw/zinc/00/04/54/773000454.db2.gz PASXDFAAZBDTIP-OAHLLOKOSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894477 773493194 /nfs/dbraw/zinc/49/31/94/773493194.db2.gz YSDZKALRYLPWLR-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894477 773493197 /nfs/dbraw/zinc/49/31/97/773493197.db2.gz YSDZKALRYLPWLR-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894477 773493201 /nfs/dbraw/zinc/49/32/01/773493201.db2.gz YSDZKALRYLPWLR-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894477 773493203 /nfs/dbraw/zinc/49/32/03/773493203.db2.gz YSDZKALRYLPWLR-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208678344 773513713 /nfs/dbraw/zinc/51/37/13/773513713.db2.gz GWJGLBUFYRADDJ-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196284695 773573826 /nfs/dbraw/zinc/57/38/26/773573826.db2.gz YZNXDZDZGCMFAH-IXYNUQLISA-N 2 2 318.421 0.651 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001196284695 773573831 /nfs/dbraw/zinc/57/38/31/773573831.db2.gz YZNXDZDZGCMFAH-IXYNUQLISA-N 2 2 318.421 0.651 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196349217 773582296 /nfs/dbraw/zinc/58/22/96/773582296.db2.gz FZWYZFUHTKHZHA-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196349217 773582299 /nfs/dbraw/zinc/58/22/99/773582299.db2.gz FZWYZFUHTKHZHA-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196349217 773582304 /nfs/dbraw/zinc/58/23/04/773582304.db2.gz FZWYZFUHTKHZHA-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP N#CCc1cccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)c1 ZINC001218987678 774340673 /nfs/dbraw/zinc/34/06/73/774340673.db2.gz MVULPGBSDCRUHK-OAHLLOKOSA-N 2 2 301.394 0.442 20 30 DCEDLP N#CCc1cccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)c1 ZINC001218987677 774341276 /nfs/dbraw/zinc/34/12/76/774341276.db2.gz MVULPGBSDCRUHK-HNNXBMFYSA-N 2 2 301.394 0.442 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201611685 774532134 /nfs/dbraw/zinc/53/21/34/774532134.db2.gz ICUDGDOHOIEKNM-DZGCQCFKSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201611685 774532136 /nfs/dbraw/zinc/53/21/36/774532136.db2.gz ICUDGDOHOIEKNM-DZGCQCFKSA-N 2 2 306.410 0.981 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114460977 774881038 /nfs/dbraw/zinc/88/10/38/774881038.db2.gz KORNLVKWWMVEBX-HALDLXJZSA-N 2 2 324.384 0.873 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001114460977 774881047 /nfs/dbraw/zinc/88/10/47/774881047.db2.gz KORNLVKWWMVEBX-HALDLXJZSA-N 2 2 324.384 0.873 20 30 DCEDLP N#Cc1ccccc1OCCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220684903 774889226 /nfs/dbraw/zinc/88/92/26/774889226.db2.gz GDYDJLIKNSELGC-UHFFFAOYSA-N 2 2 302.378 0.524 20 30 DCEDLP COCC#CC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957686 775625669 /nfs/dbraw/zinc/62/56/69/775625669.db2.gz KXTMSRXBKQSAPU-UHFFFAOYSA-N 2 2 304.394 0.430 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480864814 939049604 /nfs/dbraw/zinc/04/96/04/939049604.db2.gz UJXLVHZDVNCXIU-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480864814 939049606 /nfs/dbraw/zinc/04/96/06/939049606.db2.gz UJXLVHZDVNCXIU-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480864814 939049612 /nfs/dbraw/zinc/04/96/12/939049612.db2.gz UJXLVHZDVNCXIU-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480864814 939049615 /nfs/dbraw/zinc/04/96/15/939049615.db2.gz UJXLVHZDVNCXIU-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cnc(C)o2)CC1 ZINC001266362735 939096479 /nfs/dbraw/zinc/09/64/79/939096479.db2.gz RXXMDKNXMZMBHJ-UHFFFAOYSA-N 2 2 318.421 0.876 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1013309704 /nfs/dbraw/zinc/30/97/04/1013309704.db2.gz SUVRQKJDNTZENH-LBPRGKRZSA-N 2 2 301.818 0.698 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001447202719 1013309710 /nfs/dbraw/zinc/30/97/10/1013309710.db2.gz SUVRQKJDNTZENH-LBPRGKRZSA-N 2 2 301.818 0.698 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001380171737 962821386 /nfs/dbraw/zinc/82/13/86/962821386.db2.gz XNBYJFMGHBOCPD-LBPRGKRZSA-N 2 2 315.845 0.946 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001375751521 964796483 /nfs/dbraw/zinc/79/64/83/964796483.db2.gz UCBONUQYVOIWQY-STQMWFEESA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001375751521 964796493 /nfs/dbraw/zinc/79/64/93/964796493.db2.gz UCBONUQYVOIWQY-STQMWFEESA-N 2 2 301.818 0.650 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001392405360 991882644 /nfs/dbraw/zinc/88/26/44/991882644.db2.gz KJRGEKVXZPHUGR-OAHLLOKOSA-N 2 2 313.361 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/nfs/dbraw/zinc/56/36/28/996563628.db2.gz RASIPFIYNRSXNP-UHFFFAOYSA-N 2 2 318.421 0.876 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001401833832 1000768730 /nfs/dbraw/zinc/76/87/30/1000768730.db2.gz KNTWIKVQMGCFSB-OLZOCXBDSA-N 2 2 301.818 0.554 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001401833832 1000768737 /nfs/dbraw/zinc/76/87/37/1000768737.db2.gz KNTWIKVQMGCFSB-OLZOCXBDSA-N 2 2 301.818 0.554 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406568953 1003857960 /nfs/dbraw/zinc/85/79/60/1003857960.db2.gz GPUGQSFXVZYJGG-JTQLQIEISA-N 2 2 301.188 0.886 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001439026799 1006381463 /nfs/dbraw/zinc/38/14/63/1006381463.db2.gz OCEMWANPZGLYRC-NEPJUHHUSA-N 2 2 300.790 0.653 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441724853 1008478205 /nfs/dbraw/zinc/47/82/05/1008478205.db2.gz VIXYXHVJDNVHCM-NEPJUHHUSA-N 2 2 312.801 0.265 20 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304.394 0.286 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498391960 1019048126 /nfs/dbraw/zinc/04/81/26/1019048126.db2.gz ABYHFNQCXPOXHX-GJZGRUSLSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498391960 1019048143 /nfs/dbraw/zinc/04/81/43/1019048143.db2.gz ABYHFNQCXPOXHX-GJZGRUSLSA-N 2 2 306.410 0.921 20 30 DCEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001501475201 1019214036 /nfs/dbraw/zinc/21/40/36/1019214036.db2.gz VFYLKSRDLCTNIP-UHFFFAOYSA-N 2 2 302.378 0.935 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001502090422 1019702585 /nfs/dbraw/zinc/70/25/85/1019702585.db2.gz TZSZNDILKUKHAG-LBPRGKRZSA-N 2 2 312.801 0.830 20 30 DCEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCn2cc[nH+]c2)cc1 ZINC000163076238 291245720 /nfs/dbraw/zinc/24/57/20/291245720.db2.gz YUENZOQFBSXEAC-UHFFFAOYSA-N 2 2 304.375 0.818 20 30 DCEDLP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590380 397251752 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0.324 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000490936612 397499085 /nfs/dbraw/zinc/49/90/85/397499085.db2.gz RBDJZYIVANZWFG-UHFFFAOYSA-N 2 2 318.465 0.324 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368583 415667812 /nfs/dbraw/zinc/66/78/12/415667812.db2.gz MKAZHBBMCZKQGM-KRWDZBQOSA-N 2 2 320.481 0.899 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368583 415667818 /nfs/dbraw/zinc/66/78/18/415667818.db2.gz MKAZHBBMCZKQGM-KRWDZBQOSA-N 2 2 320.481 0.899 20 30 DCEDLP C#CCOCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125186579 415862779 /nfs/dbraw/zinc/86/27/79/415862779.db2.gz WISRTSMAQYMMOE-UHFFFAOYSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000158749319 416003109 /nfs/dbraw/zinc/00/31/09/416003109.db2.gz KVUIFKHEJGLVOV-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000158749319 416003112 /nfs/dbraw/zinc/00/31/12/416003112.db2.gz KVUIFKHEJGLVOV-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000158749319 416003115 /nfs/dbraw/zinc/00/31/15/416003115.db2.gz KVUIFKHEJGLVOV-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000158749319 416003118 /nfs/dbraw/zinc/00/31/18/416003118.db2.gz KVUIFKHEJGLVOV-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000329195172 416154725 /nfs/dbraw/zinc/15/47/25/416154725.db2.gz VCMSQEAACSOAEL-HNNXBMFYSA-N 2 2 320.441 0.546 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000329195172 416154727 /nfs/dbraw/zinc/15/47/27/416154727.db2.gz VCMSQEAACSOAEL-HNNXBMFYSA-N 2 2 320.441 0.546 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)cn1 ZINC000329168895 416155152 /nfs/dbraw/zinc/15/51/52/416155152.db2.gz JHEFNAPAWKFVMY-UHFFFAOYSA-N 2 2 320.441 0.546 20 30 DCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C#N)(COC)CC2)CC1 ZINC000341968877 416260071 /nfs/dbraw/zinc/26/00/71/416260071.db2.gz BAZUTDCGVSLWEO-OAHLLOKOSA-N 2 2 322.453 0.791 20 30 DCEDLP C[C@H](C[S@](C)=O)N(C)CC#CC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000350747473 416270350 /nfs/dbraw/zinc/27/03/50/416270350.db2.gz LXIGOWKYUSMVTA-NSMLZSOPSA-N 2 2 320.524 0.387 20 30 DCEDLP C[C@H](C[S@](C)=O)N(C)CC#CC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000350747473 416270355 /nfs/dbraw/zinc/27/03/55/416270355.db2.gz LXIGOWKYUSMVTA-NSMLZSOPSA-N 2 2 320.524 0.387 20 30 DCEDLP C[C@H](C[S@](C)=O)[NH+](C)CC#CC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000350747473 416270360 /nfs/dbraw/zinc/27/03/60/416270360.db2.gz LXIGOWKYUSMVTA-NSMLZSOPSA-N 2 2 320.524 0.387 20 30 DCEDLP C[C@H](C[S@](C)=O)[NH+](C)CC#CC[N@H+](C)[C@H](C)C[S@](C)=O ZINC000350747473 416270363 /nfs/dbraw/zinc/27/03/63/416270363.db2.gz LXIGOWKYUSMVTA-NSMLZSOPSA-N 2 2 320.524 0.387 20 30 DCEDLP C[C@@H]1C[N@H+](CCN(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000191525890 416286058 /nfs/dbraw/zinc/28/60/58/416286058.db2.gz WWDSFICASPWFHY-MRXNPFEDSA-N 2 2 310.442 0.255 20 30 DCEDLP C[C@@H]1C[N@@H+](CCN(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000191525890 416286061 /nfs/dbraw/zinc/28/60/61/416286061.db2.gz WWDSFICASPWFHY-MRXNPFEDSA-N 2 2 310.442 0.255 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261769848 416335455 /nfs/dbraw/zinc/33/54/55/416335455.db2.gz NWWNTBJMRNYLDC-DOMZBBRYSA-N 3 2 304.442 0.839 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261769848 416335456 /nfs/dbraw/zinc/33/54/56/416335456.db2.gz NWWNTBJMRNYLDC-DOMZBBRYSA-N 3 2 304.442 0.839 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264169611 416338980 /nfs/dbraw/zinc/33/89/80/416338980.db2.gz HLYYWKPCSNDFHO-ZDUSSCGKSA-N 2 2 302.378 0.350 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)CC1 ZINC000491408283 416598150 /nfs/dbraw/zinc/59/81/50/416598150.db2.gz VGQVJFZTGZKXLV-BMFZPTHFSA-N 2 2 307.438 0.413 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000491638044 416608479 /nfs/dbraw/zinc/60/84/79/416608479.db2.gz ZESOEMMIQVYOFG-USXIJHARSA-N 2 2 317.433 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000490865309 416576702 /nfs/dbraw/zinc/57/67/02/416576702.db2.gz ANQHBHXDUSWNMI-DLBZAZTESA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000490865309 416576708 /nfs/dbraw/zinc/57/67/08/416576708.db2.gz ANQHBHXDUSWNMI-DLBZAZTESA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000490852937 416578025 /nfs/dbraw/zinc/57/80/25/416578025.db2.gz OQBKLAYNAXXVBQ-INIZCTEOSA-N 2 2 300.406 0.929 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000490852937 416578027 /nfs/dbraw/zinc/57/80/27/416578027.db2.gz OQBKLAYNAXXVBQ-INIZCTEOSA-N 2 2 300.406 0.929 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000491164485 416588793 /nfs/dbraw/zinc/58/87/93/416588793.db2.gz CBSGHNFJXQPHGL-JKSUJKDBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000491164485 416588798 /nfs/dbraw/zinc/58/87/98/416588798.db2.gz CBSGHNFJXQPHGL-JKSUJKDBSA-N 2 2 305.422 0.407 20 30 DCEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000564848318 416898736 /nfs/dbraw/zinc/89/87/36/416898736.db2.gz LQPLRFHLJXHFGX-KGLIPLIRSA-N 2 2 300.472 0.220 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372330893 416932267 /nfs/dbraw/zinc/93/22/67/416932267.db2.gz IHGIMLOVRPEYDY-HRCADAONSA-N 2 2 306.454 0.082 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372330893 416932273 /nfs/dbraw/zinc/93/22/73/416932273.db2.gz IHGIMLOVRPEYDY-HRCADAONSA-N 2 2 306.454 0.082 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762797 417736488 /nfs/dbraw/zinc/73/64/88/417736488.db2.gz OKNWSILAPPXJGA-NVXWUHKLSA-N 2 2 309.454 0.964 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762797 417736492 /nfs/dbraw/zinc/73/64/92/417736492.db2.gz OKNWSILAPPXJGA-NVXWUHKLSA-N 2 2 309.454 0.964 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476768 418262705 /nfs/dbraw/zinc/26/27/05/418262705.db2.gz FKSLHVWRQFGHNI-HZPDHXFCSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476768 418262707 /nfs/dbraw/zinc/26/27/07/418262707.db2.gz FKSLHVWRQFGHNI-HZPDHXFCSA-N 2 2 307.438 0.960 20 30 DCEDLP C[C@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418507850 271247501 /nfs/dbraw/zinc/24/75/01/271247501.db2.gz CGOATUGSSMSGLO-CYBMUJFWSA-N 2 2 301.394 0.733 20 30 DCEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000527048542 336281135 /nfs/dbraw/zinc/28/11/35/336281135.db2.gz BWPWMCWWYZSCJS-ZDUSSCGKSA-N 2 2 316.409 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000081643861 341300498 /nfs/dbraw/zinc/30/04/98/341300498.db2.gz QIAIZOUOXVCIRW-HNNXBMFYSA-N 2 2 321.421 0.039 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000081643861 341300499 /nfs/dbraw/zinc/30/04/99/341300499.db2.gz QIAIZOUOXVCIRW-HNNXBMFYSA-N 2 2 321.421 0.039 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccon1 ZINC000261806290 526389002 /nfs/dbraw/zinc/38/90/02/526389002.db2.gz RZJLQTRWCMHZTL-UHFFFAOYSA-N 2 2 305.386 0.682 20 30 DCEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262861077 526414411 /nfs/dbraw/zinc/41/44/11/526414411.db2.gz ZIXKQOMLICCERO-CYBMUJFWSA-N 2 2 308.430 0.033 20 30 DCEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262861077 526414417 /nfs/dbraw/zinc/41/44/17/526414417.db2.gz ZIXKQOMLICCERO-CYBMUJFWSA-N 2 2 308.430 0.033 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159015641 526593899 /nfs/dbraw/zinc/59/38/99/526593899.db2.gz QKGMXHIGZVOCDL-OLZOCXBDSA-N 2 2 305.382 0.778 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159015641 526593905 /nfs/dbraw/zinc/59/39/05/526593905.db2.gz QKGMXHIGZVOCDL-OLZOCXBDSA-N 2 2 305.382 0.778 20 30 DCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454780 660945485 /nfs/dbraw/zinc/94/54/85/660945485.db2.gz YZURQBBRNUHCEV-HZPDHXFCSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC001022220745 657566648 /nfs/dbraw/zinc/56/66/48/657566648.db2.gz MOOZDEZUUHUMCX-LZWOXQAQSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC001022220745 657566652 /nfs/dbraw/zinc/56/66/52/657566652.db2.gz MOOZDEZUUHUMCX-LZWOXQAQSA-N 2 2 316.405 0.817 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972552898 657762204 /nfs/dbraw/zinc/76/22/04/657762204.db2.gz VGSGDYRQNUUSLM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972552898 657762184 /nfs/dbraw/zinc/76/21/84/657762184.db2.gz VGSGDYRQNUUSLM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972552898 657762196 /nfs/dbraw/zinc/76/21/96/657762196.db2.gz VGSGDYRQNUUSLM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972552898 657762210 /nfs/dbraw/zinc/76/22/10/657762210.db2.gz VGSGDYRQNUUSLM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000969467000 657906374 /nfs/dbraw/zinc/90/63/74/657906374.db2.gz YGMRHGSEXAZCAV-HZPDHXFCSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000969467000 657906380 /nfs/dbraw/zinc/90/63/80/657906380.db2.gz YGMRHGSEXAZCAV-HZPDHXFCSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000970785633 657907089 /nfs/dbraw/zinc/90/70/89/657907089.db2.gz FVJCXDQQWATPPY-CQSZACIVSA-N 2 2 303.431 0.930 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000970785633 657907095 /nfs/dbraw/zinc/90/70/95/657907095.db2.gz FVJCXDQQWATPPY-CQSZACIVSA-N 2 2 303.431 0.930 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977893 658318433 /nfs/dbraw/zinc/31/84/33/658318433.db2.gz AXNBEDRAQOIUCM-UONOGXRCSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972314340 658555137 /nfs/dbraw/zinc/55/51/37/658555137.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972314340 658555143 /nfs/dbraw/zinc/55/51/43/658555143.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972314340 658555149 /nfs/dbraw/zinc/55/51/49/658555149.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000972314340 658555156 /nfs/dbraw/zinc/55/51/56/658555156.db2.gz CNQMLFZKVJOMGI-DOTOQJQBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409055 658730856 /nfs/dbraw/zinc/73/08/56/658730856.db2.gz NVLYCNZTFDSMEC-INIZCTEOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409055 658730858 /nfs/dbraw/zinc/73/08/58/658730858.db2.gz NVLYCNZTFDSMEC-INIZCTEOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC000949326531 658749641 /nfs/dbraw/zinc/74/96/41/658749641.db2.gz XSVTWEVJIAQHLS-OAHLLOKOSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC000949326531 658749647 /nfs/dbraw/zinc/74/96/47/658749647.db2.gz XSVTWEVJIAQHLS-OAHLLOKOSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326531 658749651 /nfs/dbraw/zinc/74/96/51/658749651.db2.gz XSVTWEVJIAQHLS-OAHLLOKOSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000949326531 658749656 /nfs/dbraw/zinc/74/96/56/658749656.db2.gz XSVTWEVJIAQHLS-OAHLLOKOSA-N 2 2 323.437 0.196 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571717 658816963 /nfs/dbraw/zinc/81/69/63/658816963.db2.gz YZNYYCHRONZIRL-XJKSGUPXSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571717 658816975 /nfs/dbraw/zinc/81/69/75/658816975.db2.gz YZNYYCHRONZIRL-XJKSGUPXSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571717 658816986 /nfs/dbraw/zinc/81/69/86/658816986.db2.gz YZNYYCHRONZIRL-XJKSGUPXSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571717 658816999 /nfs/dbraw/zinc/81/69/99/658816999.db2.gz YZNYYCHRONZIRL-XJKSGUPXSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464316 658821320 /nfs/dbraw/zinc/82/13/20/658821320.db2.gz CAHFHHPHWNAPBT-KRWDZBQOSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464316 658821331 /nfs/dbraw/zinc/82/13/31/658821331.db2.gz CAHFHHPHWNAPBT-KRWDZBQOSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000999623932 665667222 /nfs/dbraw/zinc/66/72/22/665667222.db2.gz RDRSCIZTYVZNFS-UHFFFAOYSA-N 2 2 305.422 0.454 20 30 DCEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019799629 659614900 /nfs/dbraw/zinc/61/49/00/659614900.db2.gz XFWGAGAWERXUGR-HOTGVXAUSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974977191 659747329 /nfs/dbraw/zinc/74/73/29/659747329.db2.gz WRBPKYPOMWJISG-GJZGRUSLSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974977191 659747333 /nfs/dbraw/zinc/74/73/33/659747333.db2.gz WRBPKYPOMWJISG-GJZGRUSLSA-N 2 2 307.438 0.555 20 30 DCEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924983320 661832704 /nfs/dbraw/zinc/83/27/04/661832704.db2.gz DOTAXXONUYROPU-OAHLLOKOSA-N 2 2 307.438 0.912 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000730096049 663044240 /nfs/dbraw/zinc/04/42/40/663044240.db2.gz KCTQKACNROBTEL-HOTGVXAUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000730096049 663044241 /nfs/dbraw/zinc/04/42/41/663044241.db2.gz KCTQKACNROBTEL-HOTGVXAUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000730096049 663044242 /nfs/dbraw/zinc/04/42/42/663044242.db2.gz KCTQKACNROBTEL-HOTGVXAUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000730096049 663044243 /nfs/dbraw/zinc/04/42/43/663044243.db2.gz KCTQKACNROBTEL-HOTGVXAUSA-N 2 2 307.438 0.557 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000900171670 663221649 /nfs/dbraw/zinc/22/16/49/663221649.db2.gz PCKSQCCURRFBII-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000900171670 663221650 /nfs/dbraw/zinc/22/16/50/663221650.db2.gz PCKSQCCURRFBII-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000974361 665968050 /nfs/dbraw/zinc/96/80/50/665968050.db2.gz BQBFFQUHKKMIGB-HZPDHXFCSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941475655 666005252 /nfs/dbraw/zinc/00/52/52/666005252.db2.gz SDYQIQGPRJTFBB-UHFFFAOYSA-N 2 2 323.400 0.410 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566567 666024021 /nfs/dbraw/zinc/02/40/21/666024021.db2.gz HOPGVYMLTSBKBT-MRXNPFEDSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566567 666024024 /nfs/dbraw/zinc/02/40/24/666024024.db2.gz HOPGVYMLTSBKBT-MRXNPFEDSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003220313 666284330 /nfs/dbraw/zinc/28/43/30/666284330.db2.gz AONKTZGIAWTOOS-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001032837213 666288873 /nfs/dbraw/zinc/28/88/73/666288873.db2.gz LKJNVPFNIBMNKC-ZACQAIPSSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001032837213 666288874 /nfs/dbraw/zinc/28/88/74/666288874.db2.gz LKJNVPFNIBMNKC-ZACQAIPSSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC001032837213 666288875 /nfs/dbraw/zinc/28/88/75/666288875.db2.gz LKJNVPFNIBMNKC-ZACQAIPSSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC001032837213 666288876 /nfs/dbraw/zinc/28/88/76/666288876.db2.gz LKJNVPFNIBMNKC-ZACQAIPSSA-N 2 2 319.449 0.701 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035367988 667308099 /nfs/dbraw/zinc/30/80/99/667308099.db2.gz LACVFNNAVIUJCD-HZPDHXFCSA-N 2 2 307.438 0.721 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035367988 667308101 /nfs/dbraw/zinc/30/81/01/667308101.db2.gz LACVFNNAVIUJCD-HZPDHXFCSA-N 2 2 307.438 0.721 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000884160811 667486812 /nfs/dbraw/zinc/48/68/12/667486812.db2.gz PAULLCZLCJRNMH-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000884160811 667486815 /nfs/dbraw/zinc/48/68/15/667486815.db2.gz PAULLCZLCJRNMH-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000884160811 667486817 /nfs/dbraw/zinc/48/68/17/667486817.db2.gz PAULLCZLCJRNMH-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000884160811 667486819 /nfs/dbraw/zinc/48/68/19/667486819.db2.gz PAULLCZLCJRNMH-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000884180250 667491240 /nfs/dbraw/zinc/49/12/40/667491240.db2.gz RBBYVXPAPWSUML-KGLIPLIRSA-N 2 2 311.426 0.814 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000884180250 667491242 /nfs/dbraw/zinc/49/12/42/667491242.db2.gz RBBYVXPAPWSUML-KGLIPLIRSA-N 2 2 311.426 0.814 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000884204591 667497729 /nfs/dbraw/zinc/49/77/29/667497729.db2.gz ZACDBNVBMIPJKN-KGLIPLIRSA-N 2 2 311.426 0.670 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000884204591 667497730 /nfs/dbraw/zinc/49/77/30/667497730.db2.gz ZACDBNVBMIPJKN-KGLIPLIRSA-N 2 2 311.426 0.670 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000884204410 667497869 /nfs/dbraw/zinc/49/78/69/667497869.db2.gz VBGTUHUDLPNBTR-JKSUJKDBSA-N 2 2 322.453 0.352 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000884204410 667497871 /nfs/dbraw/zinc/49/78/71/667497871.db2.gz VBGTUHUDLPNBTR-JKSUJKDBSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000884251164 667509476 /nfs/dbraw/zinc/50/94/76/667509476.db2.gz WVWPLUAKRMPNJZ-AWEZNQCLSA-N 2 2 305.378 0.421 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000884407947 667539478 /nfs/dbraw/zinc/53/94/78/667539478.db2.gz RRFUVVAWFUTWII-ZFWWWQNUSA-N 2 2 323.437 0.956 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000884407947 667539482 /nfs/dbraw/zinc/53/94/82/667539482.db2.gz RRFUVVAWFUTWII-ZFWWWQNUSA-N 2 2 323.437 0.956 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000923557373 667563516 /nfs/dbraw/zinc/56/35/16/667563516.db2.gz MCFYUPAWYDBIJH-IRVMHKCDSA-N 2 2 305.422 0.479 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000923557373 667563519 /nfs/dbraw/zinc/56/35/19/667563519.db2.gz MCFYUPAWYDBIJH-IRVMHKCDSA-N 2 2 305.422 0.479 20 30 DCEDLP C(CNN=C1CCC[N@@H+]2CCSC[C@H]12)C[NH+]1CCOCC1 ZINC000872371194 667892803 /nfs/dbraw/zinc/89/28/03/667892803.db2.gz IZFUVTRPXNMEQT-OAHLLOKOSA-N 2 2 312.483 0.866 20 30 DCEDLP C(CNN=C1CCC[N@H+]2CCSC[C@H]12)C[NH+]1CCOCC1 ZINC000872371194 667892807 /nfs/dbraw/zinc/89/28/07/667892807.db2.gz IZFUVTRPXNMEQT-OAHLLOKOSA-N 2 2 312.483 0.866 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000950381007 670012351 /nfs/dbraw/zinc/01/23/51/670012351.db2.gz FSHSNDSTMOQYJO-ZBFHGGJFSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000950381007 670012353 /nfs/dbraw/zinc/01/23/53/670012353.db2.gz FSHSNDSTMOQYJO-ZBFHGGJFSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471262 670349297 /nfs/dbraw/zinc/34/92/97/670349297.db2.gz VLJCDQOZVYVRCV-HZPDHXFCSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471262 670349300 /nfs/dbraw/zinc/34/93/00/670349300.db2.gz VLJCDQOZVYVRCV-HZPDHXFCSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471262 670349303 /nfs/dbraw/zinc/34/93/03/670349303.db2.gz VLJCDQOZVYVRCV-HZPDHXFCSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949471262 670349306 /nfs/dbraw/zinc/34/93/06/670349306.db2.gz VLJCDQOZVYVRCV-HZPDHXFCSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958258757 687488139 /nfs/dbraw/zinc/48/81/39/687488139.db2.gz VUXWNIOXYOJGHJ-UKRRQHHQSA-N 2 2 312.373 0.380 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958258757 687488143 /nfs/dbraw/zinc/48/81/43/687488143.db2.gz VUXWNIOXYOJGHJ-UKRRQHHQSA-N 2 2 312.373 0.380 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000960345523 688354905 /nfs/dbraw/zinc/35/49/05/688354905.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000960345523 688354909 /nfs/dbraw/zinc/35/49/09/688354909.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC000960345523 688354912 /nfs/dbraw/zinc/35/49/12/688354912.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccn3)C[C@H]21 ZINC000960345523 688354915 /nfs/dbraw/zinc/35/49/15/688354915.db2.gz JWVDGASPIMINHD-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015620928 692368142 /nfs/dbraw/zinc/36/81/42/692368142.db2.gz PMBMQULHVUQMDC-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015620928 692368146 /nfs/dbraw/zinc/36/81/46/692368146.db2.gz PMBMQULHVUQMDC-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015712677 692411975 /nfs/dbraw/zinc/41/19/75/692411975.db2.gz GSHKRIVXHJNSNZ-ZDUSSCGKSA-N 2 2 302.378 0.708 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015712677 692411979 /nfs/dbraw/zinc/41/19/79/692411979.db2.gz GSHKRIVXHJNSNZ-ZDUSSCGKSA-N 2 2 302.378 0.708 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001016699029 692750855 /nfs/dbraw/zinc/75/08/55/692750855.db2.gz UBTLYJLAUGOMHR-HNNXBMFYSA-N 2 2 316.405 0.954 20 30 DCEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747743 692974616 /nfs/dbraw/zinc/97/46/16/692974616.db2.gz HQMCQCIVKVVKBF-OWQJAQGESA-N 2 2 317.433 0.711 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747743 692974621 /nfs/dbraw/zinc/97/46/21/692974621.db2.gz HQMCQCIVKVVKBF-OWQJAQGESA-N 2 2 317.433 0.711 20 30 DCEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017747743 692974625 /nfs/dbraw/zinc/97/46/25/692974625.db2.gz HQMCQCIVKVVKBF-OWQJAQGESA-N 2 2 317.433 0.711 20 30 DCEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017747743 692974629 /nfs/dbraw/zinc/97/46/29/692974629.db2.gz HQMCQCIVKVVKBF-OWQJAQGESA-N 2 2 317.433 0.711 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001018985780 693307245 /nfs/dbraw/zinc/30/72/45/693307245.db2.gz FNSWFLOQWVWCOD-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001018985780 693307250 /nfs/dbraw/zinc/30/72/50/693307250.db2.gz FNSWFLOQWVWCOD-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP 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VVYXVZDIEBJMMA-GFCCVEGCSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001716296571 1182312842 /nfs/dbraw/zinc/31/28/42/1182312842.db2.gz MQGMFQUISNEYNS-XVWMLYKFSA-N 2 2 301.394 0.685 20 30 DCEDLP C#CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001716296571 1182312848 /nfs/dbraw/zinc/31/28/48/1182312848.db2.gz MQGMFQUISNEYNS-XVWMLYKFSA-N 2 2 301.394 0.685 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001717174770 1182709479 /nfs/dbraw/zinc/70/94/79/1182709479.db2.gz HFQZFKHIKKSXBT-HIFRSBDPSA-N 2 2 304.394 0.449 20 30 DCEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001717253541 1182751105 /nfs/dbraw/zinc/75/11/05/1182751105.db2.gz BTMJLOJNPCDLIL-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717253541 1182751110 /nfs/dbraw/zinc/75/11/10/1182751110.db2.gz BTMJLOJNPCDLIL-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001717257523 1182752973 /nfs/dbraw/zinc/75/29/73/1182752973.db2.gz GBOOYELSVZHTGJ-RHSMWYFYSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001717723264 1182970014 /nfs/dbraw/zinc/97/00/14/1182970014.db2.gz XMUJTKAIZINRLA-CQSZACIVSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725169251 1184704967 /nfs/dbraw/zinc/70/49/67/1184704967.db2.gz JUUUUSGWRURCIT-GXTWGEPZSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725169251 1184704973 /nfs/dbraw/zinc/70/49/73/1184704973.db2.gz JUUUUSGWRURCIT-GXTWGEPZSA-N 2 2 321.425 0.319 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001732177144 1185720853 /nfs/dbraw/zinc/72/08/53/1185720853.db2.gz ZYGWUAIQFVSUBS-HNNXBMFYSA-N 2 2 304.394 0.374 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001732177144 1185720858 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DCEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001733984203 1186515152 /nfs/dbraw/zinc/51/51/52/1186515152.db2.gz QCJLVOULDIUKDB-KBPBESRZSA-N 2 2 306.410 0.485 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001734183175 1186571879 /nfs/dbraw/zinc/57/18/79/1186571879.db2.gz NAFKSMVTWJYQLO-STQMWFEESA-N 2 2 304.394 0.526 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734541658 1186684619 /nfs/dbraw/zinc/68/46/19/1186684619.db2.gz FFCGHCYCGOZFHL-CQSZACIVSA-N 2 2 306.410 0.311 20 30 DCEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734541658 1186684622 /nfs/dbraw/zinc/68/46/22/1186684622.db2.gz FFCGHCYCGOZFHL-CQSZACIVSA-N 2 2 306.410 0.311 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001750927695 1188358658 /nfs/dbraw/zinc/35/86/58/1188358658.db2.gz MVDYKZFAYZYMHY-OCCSQVGLSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C 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OAFPUVVPNUJZEH-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001754769344 1188930949 /nfs/dbraw/zinc/93/09/49/1188930949.db2.gz WJKMXDYZKCWCNI-INIZCTEOSA-N 2 2 319.449 0.580 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001754769344 1188930953 /nfs/dbraw/zinc/93/09/53/1188930953.db2.gz WJKMXDYZKCWCNI-INIZCTEOSA-N 2 2 319.449 0.580 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755541573 1189142897 /nfs/dbraw/zinc/14/28/97/1189142897.db2.gz FEFARDKPJHEIPD-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755541573 1189142899 /nfs/dbraw/zinc/14/28/99/1189142899.db2.gz FEFARDKPJHEIPD-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001755619887 1189159973 /nfs/dbraw/zinc/15/99/73/1189159973.db2.gz ITLDIPGBJBZJDU-CHWSQXEVSA-N 2 2 307.398 0.010 20 30 DCEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755782831 1189210889 /nfs/dbraw/zinc/21/08/89/1189210889.db2.gz FFQUOLZSUNWYOD-CYBMUJFWSA-N 2 2 300.362 0.380 20 30 DCEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001771873409 1190538637 /nfs/dbraw/zinc/53/86/37/1190538637.db2.gz NSOPJUMMHYSJHG-DGNOSDGRSA-N 2 2 320.437 0.353 20 30 DCEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001771873409 1190538641 /nfs/dbraw/zinc/53/86/41/1190538641.db2.gz NSOPJUMMHYSJHG-DGNOSDGRSA-N 2 2 320.437 0.353 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[NH+](CC)CC)nn2)C1 ZINC001107221243 751957866 /nfs/dbraw/zinc/95/78/66/751957866.db2.gz OPNHACCILMLMFH-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283524 747856812 /nfs/dbraw/zinc/85/68/12/747856812.db2.gz GCYANLVLGUROGW-JKSUJKDBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283524 747856822 /nfs/dbraw/zinc/85/68/22/747856822.db2.gz GCYANLVLGUROGW-JKSUJKDBSA-N 2 2 305.422 0.407 20 30 DCEDLP C=CCC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]cc[nH+]3)C2)nn1 ZINC001105349029 748400985 /nfs/dbraw/zinc/40/09/85/748400985.db2.gz BSNVZOUXVLXUQC-UHFFFAOYSA-N 2 2 315.381 0.293 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167992563 748861493 /nfs/dbraw/zinc/86/14/93/748861493.db2.gz ZNYUJQVRNYQIFD-CHWSQXEVSA-N 2 2 321.425 0.375 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167992563 748861498 /nfs/dbraw/zinc/86/14/98/748861498.db2.gz ZNYUJQVRNYQIFD-CHWSQXEVSA-N 2 2 321.425 0.375 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083525074 750098143 /nfs/dbraw/zinc/09/81/43/750098143.db2.gz YANSMKSUPQNZNP-PMPSAXMXSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083525074 750098150 /nfs/dbraw/zinc/09/81/50/750098150.db2.gz YANSMKSUPQNZNP-PMPSAXMXSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525074 750098160 /nfs/dbraw/zinc/09/81/60/750098160.db2.gz YANSMKSUPQNZNP-PMPSAXMXSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525074 750098169 /nfs/dbraw/zinc/09/81/69/750098169.db2.gz YANSMKSUPQNZNP-PMPSAXMXSA-N 2 2 305.422 0.188 20 30 DCEDLP C=CCCC[NH+]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001112964202 762050932 /nfs/dbraw/zinc/05/09/32/762050932.db2.gz MWBWRGWDUADQLJ-MRXNPFEDSA-N 2 2 319.453 0.924 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001046035069 753437558 /nfs/dbraw/zinc/43/75/58/753437558.db2.gz CTDVKZQQMPWAJI-MRXNPFEDSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001046035069 753437562 /nfs/dbraw/zinc/43/75/62/753437562.db2.gz CTDVKZQQMPWAJI-MRXNPFEDSA-N 2 2 317.437 0.747 20 30 DCEDLP CC(C)[C@@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)[NH+](C)C ZINC001046037666 753440674 /nfs/dbraw/zinc/44/06/74/753440674.db2.gz WAHULQGHUXGZBO-CVEARBPZSA-N 2 2 321.469 0.315 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046075804 753467887 /nfs/dbraw/zinc/46/78/87/753467887.db2.gz FFDPEQIHMOPLSD-OAHLLOKOSA-N 2 2 317.437 0.367 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046075804 753467893 /nfs/dbraw/zinc/46/78/93/753467893.db2.gz FFDPEQIHMOPLSD-OAHLLOKOSA-N 2 2 317.437 0.367 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088172 753475132 /nfs/dbraw/zinc/47/51/32/753475132.db2.gz GXNCOQZEWCISSH-MRXNPFEDSA-N 2 2 317.437 0.678 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088172 753475136 /nfs/dbraw/zinc/47/51/36/753475136.db2.gz GXNCOQZEWCISSH-MRXNPFEDSA-N 2 2 317.437 0.678 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC=C(C)C)C[C@@H]1O ZINC001047415064 754262007 /nfs/dbraw/zinc/26/20/07/754262007.db2.gz FHEQURYCJFRSSN-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC=C(C)C)C[C@@H]1O ZINC001047415064 754262010 /nfs/dbraw/zinc/26/20/10/754262010.db2.gz FHEQURYCJFRSSN-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC=C(C)C)C[C@@H]1O ZINC001047415064 754262017 /nfs/dbraw/zinc/26/20/17/754262017.db2.gz FHEQURYCJFRSSN-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC=C(C)C)C[C@@H]1O ZINC001047415064 754262022 /nfs/dbraw/zinc/26/20/22/754262022.db2.gz FHEQURYCJFRSSN-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001047435732 754278791 /nfs/dbraw/zinc/27/87/91/754278791.db2.gz NWKUYRYPIMFRAE-KKUMJFAQSA-N 2 2 318.421 0.525 20 30 DCEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001047435732 754278794 /nfs/dbraw/zinc/27/87/94/754278794.db2.gz NWKUYRYPIMFRAE-KKUMJFAQSA-N 2 2 318.421 0.525 20 30 DCEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047439561 754283939 /nfs/dbraw/zinc/28/39/39/754283939.db2.gz LDBQDPGWUBUUIZ-GJZGRUSLSA-N 2 2 322.409 0.429 20 30 DCEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001047439561 754283946 /nfs/dbraw/zinc/28/39/46/754283946.db2.gz LDBQDPGWUBUUIZ-GJZGRUSLSA-N 2 2 322.409 0.429 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991587 756065369 /nfs/dbraw/zinc/06/53/69/756065369.db2.gz MTIAYSYBUCQPND-QLFBSQMISA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079991587 756065375 /nfs/dbraw/zinc/06/53/75/756065375.db2.gz MTIAYSYBUCQPND-QLFBSQMISA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053618946 756122711 /nfs/dbraw/zinc/12/27/11/756122711.db2.gz GPVCKDGRQFMUAZ-HZPDHXFCSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053618946 756122715 /nfs/dbraw/zinc/12/27/15/756122715.db2.gz GPVCKDGRQFMUAZ-HZPDHXFCSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC001053906366 756270542 /nfs/dbraw/zinc/27/05/42/756270542.db2.gz XMKJVHGACFGWIP-JYJNAYRXSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC001053906366 756270545 /nfs/dbraw/zinc/27/05/45/756270545.db2.gz XMKJVHGACFGWIP-JYJNAYRXSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)CO2 ZINC001053925939 756282557 /nfs/dbraw/zinc/28/25/57/756282557.db2.gz SGXCKNKUCZMYCU-OAHLLOKOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053925939 756282558 /nfs/dbraw/zinc/28/25/58/756282558.db2.gz SGXCKNKUCZMYCU-OAHLLOKOSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867501 756826997 /nfs/dbraw/zinc/82/69/97/756826997.db2.gz VYZHNMJHPMBPTM-FVQBIDKESA-N 2 2 318.421 0.837 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867501 756827003 /nfs/dbraw/zinc/82/70/03/756827003.db2.gz VYZHNMJHPMBPTM-FVQBIDKESA-N 2 2 318.421 0.837 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001082567869 757188853 /nfs/dbraw/zinc/18/88/53/757188853.db2.gz HWNIOXXKBPMOSG-BMFZPTHFSA-N 2 2 316.405 0.709 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccon2)C1 ZINC001082567869 757188863 /nfs/dbraw/zinc/18/88/63/757188863.db2.gz HWNIOXXKBPMOSG-BMFZPTHFSA-N 2 2 316.405 0.709 20 30 DCEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045136 759138738 /nfs/dbraw/zinc/13/87/38/759138738.db2.gz QCPJPXXFFJNQCM-HZPDHXFCSA-N 2 2 319.453 0.213 20 30 DCEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045136 759138741 /nfs/dbraw/zinc/13/87/41/759138741.db2.gz QCPJPXXFFJNQCM-HZPDHXFCSA-N 2 2 319.453 0.213 20 30 DCEDLP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+](C)C ZINC001052077728 759162669 /nfs/dbraw/zinc/16/26/69/759162669.db2.gz UZWKGEBBHVSBJX-JKSUJKDBSA-N 2 2 321.469 0.315 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204517 760608656 /nfs/dbraw/zinc/60/86/56/760608656.db2.gz NNXAGVDXTNRXHN-UHFFFAOYSA-N 2 2 321.425 0.473 20 30 DCEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c2C1 ZINC001069883111 760929078 /nfs/dbraw/zinc/92/90/78/760929078.db2.gz RDKNNTJYXUDDTP-AWEZNQCLSA-N 2 2 317.437 0.843 20 30 DCEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@H]3CC[N@H+](C)C3)c2C1 ZINC001069883111 760929081 /nfs/dbraw/zinc/92/90/81/760929081.db2.gz RDKNNTJYXUDDTP-AWEZNQCLSA-N 2 2 317.437 0.843 20 30 DCEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[NH+](C)C3)c2C1 ZINC001069883111 760929084 /nfs/dbraw/zinc/92/90/84/760929084.db2.gz RDKNNTJYXUDDTP-AWEZNQCLSA-N 2 2 317.437 0.843 20 30 DCEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[NH+](C)C3)c2C1 ZINC001069883111 760929086 /nfs/dbraw/zinc/92/90/86/760929086.db2.gz RDKNNTJYXUDDTP-AWEZNQCLSA-N 2 2 317.437 0.843 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123694272 768044969 /nfs/dbraw/zinc/04/49/69/768044969.db2.gz JCBPQDGGQBUXDC-GOEBONIOSA-N 2 2 321.469 0.018 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123694272 768044973 /nfs/dbraw/zinc/04/49/73/768044973.db2.gz JCBPQDGGQBUXDC-GOEBONIOSA-N 2 2 321.469 0.018 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964536 761545636 /nfs/dbraw/zinc/54/56/36/761545636.db2.gz OHQGIASMQKFEQA-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964536 761545642 /nfs/dbraw/zinc/54/56/42/761545642.db2.gz OHQGIASMQKFEQA-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964536 761545649 /nfs/dbraw/zinc/54/56/49/761545649.db2.gz OHQGIASMQKFEQA-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964536 761545655 /nfs/dbraw/zinc/54/56/55/761545655.db2.gz OHQGIASMQKFEQA-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234115 761729120 /nfs/dbraw/zinc/72/91/20/761729120.db2.gz UBMZFZRSFQBODR-SUMWQHHRSA-N 2 2 316.405 0.586 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234115 761729126 /nfs/dbraw/zinc/72/91/26/761729126.db2.gz UBMZFZRSFQBODR-SUMWQHHRSA-N 2 2 316.405 0.586 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248954 761738815 /nfs/dbraw/zinc/73/88/15/761738815.db2.gz WOYOBRWPFRTEAP-RDJZCZTQSA-N 2 2 316.405 0.598 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248954 761738820 /nfs/dbraw/zinc/73/88/20/761738820.db2.gz 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318.421 0.819 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201612478 774532650 /nfs/dbraw/zinc/53/26/50/774532650.db2.gz OLUPYXAWBLJFHL-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202218405 774618074 /nfs/dbraw/zinc/61/80/74/774618074.db2.gz ZBNYAFVRAQOWSR-ZDUSSCGKSA-N 2 2 312.801 0.843 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908667 774642902 /nfs/dbraw/zinc/64/29/02/774642902.db2.gz OFOPZRQPKYQJQP-ZNMIVQPWSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908667 774642909 /nfs/dbraw/zinc/64/29/09/774642909.db2.gz OFOPZRQPKYQJQP-ZNMIVQPWSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835397 775207617 /nfs/dbraw/zinc/20/76/17/775207617.db2.gz JQFNOGOHMYZMQD-UKRRQHHQSA-N 2 2 304.394 0.688 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835397 775207627 /nfs/dbraw/zinc/20/76/27/775207627.db2.gz JQFNOGOHMYZMQD-UKRRQHHQSA-N 2 2 304.394 0.688 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042124411 777712488 /nfs/dbraw/zinc/71/24/88/777712488.db2.gz FXPFROKBGKOQHP-BBRMVZONSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042124411 777712495 /nfs/dbraw/zinc/71/24/95/777712495.db2.gz FXPFROKBGKOQHP-BBRMVZONSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCO)CC1 ZINC001278157169 945161509 /nfs/dbraw/zinc/16/15/09/945161509.db2.gz CEFKQLSAQPZDRC-HUUCEWRRSA-N 2 2 316.405 0.432 20 30 DCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001278172307 945168294 /nfs/dbraw/zinc/16/82/94/945168294.db2.gz SXLAPEKQEWRMMB-HNNXBMFYSA-N 2 2 316.405 0.828 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC(=O)N(C)C ZINC001266562624 939165345 /nfs/dbraw/zinc/16/53/45/939165345.db2.gz IMKAEHVCMMVDAE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC(=O)N(C)C ZINC001266562624 939165346 /nfs/dbraw/zinc/16/53/46/939165346.db2.gz IMKAEHVCMMVDAE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(=O)N(C)C ZINC001266562624 939165348 /nfs/dbraw/zinc/16/53/48/939165348.db2.gz IMKAEHVCMMVDAE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(=O)N(C)C ZINC001266562624 939165349 /nfs/dbraw/zinc/16/53/49/939165349.db2.gz IMKAEHVCMMVDAE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266879899 939264248 /nfs/dbraw/zinc/26/42/48/939264248.db2.gz CYTYYYWUAGFBMH-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267048564 939323506 /nfs/dbraw/zinc/32/35/06/939323506.db2.gz XZFBMTQTUSRWIC-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544955 939496577 /nfs/dbraw/zinc/49/65/77/939496577.db2.gz OHEVYTKNSKEYNX-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544955 939496578 /nfs/dbraw/zinc/49/65/78/939496578.db2.gz OHEVYTKNSKEYNX-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481102707 939561232 /nfs/dbraw/zinc/56/12/32/939561232.db2.gz BUJYJKRQMAQCQI-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481102707 939561234 /nfs/dbraw/zinc/56/12/34/939561234.db2.gz BUJYJKRQMAQCQI-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481450583 939798686 /nfs/dbraw/zinc/79/86/86/939798686.db2.gz RCAPYNBMZSBLCA-RRFJBIMHSA-N 2 2 300.406 0.985 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481450583 939798688 /nfs/dbraw/zinc/79/86/88/939798688.db2.gz RCAPYNBMZSBLCA-RRFJBIMHSA-N 2 2 300.406 0.985 20 30 DCEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481473535 939887363 /nfs/dbraw/zinc/88/73/63/939887363.db2.gz BQIQCEUOWAGOPJ-INIZCTEOSA-N 2 2 321.469 0.460 20 30 DCEDLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481473535 939887365 /nfs/dbraw/zinc/88/73/65/939887365.db2.gz BQIQCEUOWAGOPJ-INIZCTEOSA-N 2 2 321.469 0.460 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481529844 939920122 /nfs/dbraw/zinc/92/01/22/939920122.db2.gz JPAFGTOJWVTUPG-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001481529844 939920125 /nfs/dbraw/zinc/92/01/25/939920125.db2.gz JPAFGTOJWVTUPG-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481723132 940088662 /nfs/dbraw/zinc/08/86/62/940088662.db2.gz WMYWLHVKRAZJIY-LSDHHAIUSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481723132 940088663 /nfs/dbraw/zinc/08/86/63/940088663.db2.gz WMYWLHVKRAZJIY-LSDHHAIUSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481723132 940088668 /nfs/dbraw/zinc/08/86/68/940088668.db2.gz WMYWLHVKRAZJIY-LSDHHAIUSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001481723132 940088671 /nfs/dbraw/zinc/08/86/71/940088671.db2.gz WMYWLHVKRAZJIY-LSDHHAIUSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481723131 940088690 /nfs/dbraw/zinc/08/86/90/940088690.db2.gz WMYWLHVKRAZJIY-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001481723131 940088693 /nfs/dbraw/zinc/08/86/93/940088693.db2.gz WMYWLHVKRAZJIY-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001481723131 940088698 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DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001269278042 940670782 /nfs/dbraw/zinc/67/07/82/940670782.db2.gz BHLQSOIHHUPZHY-JYJNAYRXSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269278042 940670783 /nfs/dbraw/zinc/67/07/83/940670783.db2.gz BHLQSOIHHUPZHY-JYJNAYRXSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269278042 940670784 /nfs/dbraw/zinc/67/07/84/940670784.db2.gz BHLQSOIHHUPZHY-JYJNAYRXSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001482371496 941025966 /nfs/dbraw/zinc/02/59/66/941025966.db2.gz OKORMDIUBCEQPG-HNNXBMFYSA-N 2 2 306.410 0.750 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001271360814 941358810 /nfs/dbraw/zinc/35/88/10/941358810.db2.gz BZWVHHBRGWAFBQ-HNNXBMFYSA-N 2 2 307.438 0.437 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001482664066 941614382 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305.422 0.169 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCOCC=C)C2)CC1 ZINC001483893247 943016350 /nfs/dbraw/zinc/01/63/50/943016350.db2.gz MZTOEJLDHNYZOB-UHFFFAOYSA-N 2 2 319.449 0.677 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484242777 943248573 /nfs/dbraw/zinc/24/85/73/943248573.db2.gz ZDRVUGVUTFNDDL-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484242777 943248578 /nfs/dbraw/zinc/24/85/78/943248578.db2.gz ZDRVUGVUTFNDDL-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484242777 943248582 /nfs/dbraw/zinc/24/85/82/943248582.db2.gz ZDRVUGVUTFNDDL-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484242777 943248585 /nfs/dbraw/zinc/24/85/85/943248585.db2.gz ZDRVUGVUTFNDDL-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001484354174 943333256 /nfs/dbraw/zinc/33/32/56/943333256.db2.gz WKTGXNJWKGZYDT-UKRRQHHQSA-N 2 2 318.421 0.737 20 30 DCEDLP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001484449476 943392401 /nfs/dbraw/zinc/39/24/01/943392401.db2.gz FPDKIYBNNMAIEN-KRWDZBQOSA-N 2 2 318.421 0.630 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001484449476 943392406 /nfs/dbraw/zinc/39/24/06/943392406.db2.gz FPDKIYBNNMAIEN-KRWDZBQOSA-N 2 2 318.421 0.630 20 30 DCEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484446107 943400930 /nfs/dbraw/zinc/40/09/30/943400930.db2.gz HDCKUIUTJFYYOL-FUHWJXTLSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484446107 943400935 /nfs/dbraw/zinc/40/09/35/943400935.db2.gz HDCKUIUTJFYYOL-FUHWJXTLSA-N 2 2 321.465 0.827 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001485321434 943826886 /nfs/dbraw/zinc/82/68/86/943826886.db2.gz WQJIAKMWUOYLAQ-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001485321434 943826890 /nfs/dbraw/zinc/82/68/90/943826890.db2.gz WQJIAKMWUOYLAQ-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485321608 943828303 /nfs/dbraw/zinc/82/83/03/943828303.db2.gz XMFWGRRLBXWMPR-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001485321608 943828304 /nfs/dbraw/zinc/82/83/04/943828304.db2.gz XMFWGRRLBXWMPR-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485321608 943828307 /nfs/dbraw/zinc/82/83/07/943828307.db2.gz XMFWGRRLBXWMPR-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485321608 943828309 /nfs/dbraw/zinc/82/83/09/943828309.db2.gz XMFWGRRLBXWMPR-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486010069 944495440 /nfs/dbraw/zinc/49/54/40/944495440.db2.gz GEKWVJAKXKFUML-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001317407627 944958205 /nfs/dbraw/zinc/95/82/05/944958205.db2.gz FGNGMRARYRFFPL-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001277953614 945058147 /nfs/dbraw/zinc/05/81/47/945058147.db2.gz CYBLORYAGYXGAM-CABCVRRESA-N 2 2 306.410 0.921 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318479483 945377904 /nfs/dbraw/zinc/37/79/04/945377904.db2.gz PQLSQPINFZDVMB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318479483 945377912 /nfs/dbraw/zinc/37/79/12/945377912.db2.gz PQLSQPINFZDVMB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318479483 945377919 /nfs/dbraw/zinc/37/79/19/945377919.db2.gz PQLSQPINFZDVMB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318479483 945377929 /nfs/dbraw/zinc/37/79/29/945377929.db2.gz PQLSQPINFZDVMB-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001318478104 945380190 /nfs/dbraw/zinc/38/01/90/945380190.db2.gz KDRLAUPBZXRIRW-MRXNPFEDSA-N 2 2 318.421 0.764 20 30 DCEDLP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318478104 945380198 /nfs/dbraw/zinc/38/01/98/945380198.db2.gz KDRLAUPBZXRIRW-MRXNPFEDSA-N 2 2 318.421 0.764 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001319711346 945651214 /nfs/dbraw/zinc/65/12/14/945651214.db2.gz OMYRIEWXNJVUCD-GJZGRUSLSA-N 2 2 304.394 0.360 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001251851300 945799274 /nfs/dbraw/zinc/79/92/74/945799274.db2.gz IJTSGZPNFWDXCZ-SJORKVTESA-N 2 2 310.438 0.572 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001251851300 945799279 /nfs/dbraw/zinc/79/92/79/945799279.db2.gz IJTSGZPNFWDXCZ-SJORKVTESA-N 2 2 310.438 0.572 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccon1 ZINC001320450281 945880857 /nfs/dbraw/zinc/88/08/57/945880857.db2.gz NKDUYVHIXQEPFR-HIFRSBDPSA-N 2 2 304.394 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccon1 ZINC001320450281 945880872 /nfs/dbraw/zinc/88/08/72/945880872.db2.gz NKDUYVHIXQEPFR-HIFRSBDPSA-N 2 2 304.394 0.757 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1nocc1C ZINC001321096777 946164099 /nfs/dbraw/zinc/16/40/99/946164099.db2.gz KPVIAAYOEPAVNG-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1nocc1C ZINC001321096777 946164104 /nfs/dbraw/zinc/16/41/04/946164104.db2.gz KPVIAAYOEPAVNG-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCCC ZINC001322178161 946602569 /nfs/dbraw/zinc/60/25/69/946602569.db2.gz WDFPEZVLHNQRNW-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NCCC ZINC001322178161 946602572 /nfs/dbraw/zinc/60/25/72/946602572.db2.gz WDFPEZVLHNQRNW-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NCCC ZINC001322178161 946602576 /nfs/dbraw/zinc/60/25/76/946602576.db2.gz WDFPEZVLHNQRNW-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NCCC ZINC001322178161 946602581 /nfs/dbraw/zinc/60/25/81/946602581.db2.gz WDFPEZVLHNQRNW-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001322854918 946836449 /nfs/dbraw/zinc/83/64/49/946836449.db2.gz VOEFFZUBQBQERU-CQSZACIVSA-N 2 2 319.409 0.108 20 30 DCEDLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001273384046 946953984 /nfs/dbraw/zinc/95/39/84/946953984.db2.gz LIBTUVOWTWTWHR-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001273384046 946953992 /nfs/dbraw/zinc/95/39/92/946953992.db2.gz LIBTUVOWTWTWHR-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920452 948055992 /nfs/dbraw/zinc/05/59/92/948055992.db2.gz XYPUTPMQFUIIPL-HUUCEWRRSA-N 2 2 306.410 0.709 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196920452 948056000 /nfs/dbraw/zinc/05/60/00/948056000.db2.gz XYPUTPMQFUIIPL-HUUCEWRRSA-N 2 2 306.410 0.709 20 30 DCEDLP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264078286 948866914 /nfs/dbraw/zinc/86/69/14/948866914.db2.gz GTDOHKUFAYRIDT-MRXNPFEDSA-N 2 2 318.421 0.582 20 30 DCEDLP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264078286 948866931 /nfs/dbraw/zinc/86/69/31/948866931.db2.gz GTDOHKUFAYRIDT-MRXNPFEDSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264370697 948940934 /nfs/dbraw/zinc/94/09/34/948940934.db2.gz IHDJPVKBWCXRDN-KBPBESRZSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264370697 948940946 /nfs/dbraw/zinc/94/09/46/948940946.db2.gz IHDJPVKBWCXRDN-KBPBESRZSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708664 949081235 /nfs/dbraw/zinc/08/12/35/949081235.db2.gz RTSDTIBVAJOTEQ-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708664 949081254 /nfs/dbraw/zinc/08/12/54/949081254.db2.gz RTSDTIBVAJOTEQ-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001264708664 949081277 /nfs/dbraw/zinc/08/12/77/949081277.db2.gz RTSDTIBVAJOTEQ-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001264708664 949081293 /nfs/dbraw/zinc/08/12/93/949081293.db2.gz RTSDTIBVAJOTEQ-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266051932 950301639 /nfs/dbraw/zinc/30/16/39/950301639.db2.gz ZNRMRUJUZXNWOJ-HUUCEWRRSA-N 2 2 318.421 0.991 20 30 DCEDLP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266051932 950301661 /nfs/dbraw/zinc/30/16/61/950301661.db2.gz ZNRMRUJUZXNWOJ-HUUCEWRRSA-N 2 2 318.421 0.991 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266051932 950301680 /nfs/dbraw/zinc/30/16/80/950301680.db2.gz ZNRMRUJUZXNWOJ-HUUCEWRRSA-N 2 2 318.421 0.991 20 30 DCEDLP CC[N@H+](CC#CCOC)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266051932 950301699 /nfs/dbraw/zinc/30/16/99/950301699.db2.gz ZNRMRUJUZXNWOJ-HUUCEWRRSA-N 2 2 318.421 0.991 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)N(C)CC ZINC001490209147 950333131 /nfs/dbraw/zinc/33/31/31/950333131.db2.gz UKEXYAWLCDTEPE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)N(C)CC ZINC001490209147 950333071 /nfs/dbraw/zinc/33/30/71/950333071.db2.gz UKEXYAWLCDTEPE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)N(C)CC ZINC001490209147 950333090 /nfs/dbraw/zinc/33/30/90/950333090.db2.gz UKEXYAWLCDTEPE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)N(C)CC ZINC001490209147 950333110 /nfs/dbraw/zinc/33/31/10/950333110.db2.gz UKEXYAWLCDTEPE-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001280659695 951023761 /nfs/dbraw/zinc/02/37/61/951023761.db2.gz MSAFOPYFVNPXBC-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001280776469 951082483 /nfs/dbraw/zinc/08/24/83/951082483.db2.gz JXENNOZNYLSCBL-CQSZACIVSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001280776469 951082490 /nfs/dbraw/zinc/08/24/90/951082490.db2.gz JXENNOZNYLSCBL-CQSZACIVSA-N 2 2 319.409 0.156 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1coc(C)n1 ZINC001274096543 951413138 /nfs/dbraw/zinc/41/31/38/951413138.db2.gz GNIQXQDEUGEGRK-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1coc(C)n1 ZINC001274096543 951413148 /nfs/dbraw/zinc/41/31/48/951413148.db2.gz GNIQXQDEUGEGRK-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001281636007 951568340 /nfs/dbraw/zinc/56/83/40/951568340.db2.gz IUEMYVSRXOVWTG-CQSZACIVSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC[NH+](C)CC1 ZINC001332319265 951583924 /nfs/dbraw/zinc/58/39/24/951583924.db2.gz HDHOUUPLPPMZDE-HNNXBMFYSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC[NH+](C)CC1 ZINC001332319265 951583937 /nfs/dbraw/zinc/58/39/37/951583937.db2.gz HDHOUUPLPPMZDE-HNNXBMFYSA-N 2 2 322.453 0.446 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001332528717 951681215 /nfs/dbraw/zinc/68/12/15/951681215.db2.gz KRBZQGZNLRKSJP-KBPBESRZSA-N 2 2 306.410 0.431 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001332528707 951681256 /nfs/dbraw/zinc/68/12/56/951681256.db2.gz KNOOFRRSASZZKN-DZGCQCFKSA-N 2 2 306.410 0.431 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274617243 951743586 /nfs/dbraw/zinc/74/35/86/951743586.db2.gz WGXNXPVPKUMHML-SJORKVTESA-N 2 2 318.421 0.782 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274617243 951743594 /nfs/dbraw/zinc/74/35/94/951743594.db2.gz WGXNXPVPKUMHML-SJORKVTESA-N 2 2 318.421 0.782 20 30 DCEDLP COCC#CC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001332740484 951781181 /nfs/dbraw/zinc/78/11/81/951781181.db2.gz MYDDSBMSBRGNAM-UHFFFAOYSA-N 2 2 306.410 0.702 20 30 DCEDLP COCC#CC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001332740484 951781188 /nfs/dbraw/zinc/78/11/88/951781188.db2.gz MYDDSBMSBRGNAM-UHFFFAOYSA-N 2 2 306.410 0.702 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275422585 952138122 /nfs/dbraw/zinc/13/81/22/952138122.db2.gz VFDWNFLJWPSRFM-JQWIXIFHSA-N 2 2 307.398 0.046 20 30 DCEDLP C[NH+](C)CC#CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335968481 952627290 /nfs/dbraw/zinc/62/72/90/952627290.db2.gz GTEMJVQKCADCNH-SFHVURJKSA-N 3 2 301.434 0.778 20 30 DCEDLP C[NH+](C)CC#CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335968481 952627292 /nfs/dbraw/zinc/62/72/92/952627292.db2.gz GTEMJVQKCADCNH-SFHVURJKSA-N 3 2 301.434 0.778 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001342375597 953286707 /nfs/dbraw/zinc/28/67/07/953286707.db2.gz WRKVFPALFZEADV-MRXNPFEDSA-N 2 2 317.437 0.847 20 30 DCEDLP C#CC[NH2+]CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001343686836 953364669 /nfs/dbraw/zinc/36/46/69/953364669.db2.gz PRALSQYSISOCBU-UHFFFAOYSA-N 3 2 314.433 0.319 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281808378 953373361 /nfs/dbraw/zinc/37/33/61/953373361.db2.gz JNRYZUMWLNHYTG-AWEZNQCLSA-N 2 2 318.421 0.575 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316964717 960328691 /nfs/dbraw/zinc/32/86/91/960328691.db2.gz HOHMTNGUAGJUMW-QGZVFWFLSA-N 2 2 320.481 0.618 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001316964717 960328699 /nfs/dbraw/zinc/32/86/99/960328699.db2.gz HOHMTNGUAGJUMW-QGZVFWFLSA-N 2 2 320.481 0.618 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001316958746 960328954 /nfs/dbraw/zinc/32/89/54/960328954.db2.gz IHUDSQHDVLGMAD-QGZVFWFLSA-N 2 2 320.481 0.618 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001316958746 960328962 /nfs/dbraw/zinc/32/89/62/960328962.db2.gz IHUDSQHDVLGMAD-QGZVFWFLSA-N 2 2 320.481 0.618 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001316780956 960335133 /nfs/dbraw/zinc/33/51/33/960335133.db2.gz UGAYUCYWASBEAH-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001316780956 960335141 /nfs/dbraw/zinc/33/51/41/960335141.db2.gz UGAYUCYWASBEAH-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001316780956 960335149 /nfs/dbraw/zinc/33/51/49/960335149.db2.gz UGAYUCYWASBEAH-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001316780956 960335158 /nfs/dbraw/zinc/33/51/58/960335158.db2.gz UGAYUCYWASBEAH-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316750652 960366433 /nfs/dbraw/zinc/36/64/33/960366433.db2.gz UEKVAZPDGFMMFR-RRFJBIMHSA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316750652 960366438 /nfs/dbraw/zinc/36/64/38/960366438.db2.gz UEKVAZPDGFMMFR-RRFJBIMHSA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316750652 960366445 /nfs/dbraw/zinc/36/64/45/960366445.db2.gz UEKVAZPDGFMMFR-RRFJBIMHSA-N 2 2 318.421 0.985 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001379939122 962344759 /nfs/dbraw/zinc/34/47/59/962344759.db2.gz QLFHUUAGJDZPOU-ZDUSSCGKSA-N 2 2 314.817 0.695 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001379939122 962344776 /nfs/dbraw/zinc/34/47/76/962344776.db2.gz QLFHUUAGJDZPOU-ZDUSSCGKSA-N 2 2 314.817 0.695 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001381921683 966782020 /nfs/dbraw/zinc/78/20/20/966782020.db2.gz CGBZNTFXSFASOB-YPMHNXCESA-N 2 2 312.801 0.910 20 30 DCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001507115128 1015995452 /nfs/dbraw/zinc/99/54/52/1015995452.db2.gz YKHZOEKOUZUNKR-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001507115128 1015995454 /nfs/dbraw/zinc/99/54/54/1015995454.db2.gz YKHZOEKOUZUNKR-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001507115129 1015996814 /nfs/dbraw/zinc/99/68/14/1015996814.db2.gz YKHZOEKOUZUNKR-HOCLYGCPSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001507115129 1015996833 /nfs/dbraw/zinc/99/68/33/1015996833.db2.gz YKHZOEKOUZUNKR-HOCLYGCPSA-N 2 2 307.438 0.700 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439250228 1006624107 /nfs/dbraw/zinc/62/41/07/1006624107.db2.gz AVIPOGYKLKBDMY-VIFPVBQESA-N 2 2 301.188 0.955 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001441748693 1008486340 /nfs/dbraw/zinc/48/63/40/1008486340.db2.gz DRMCVKXDMZXPKT-RYUDHWBXSA-N 2 2 300.790 0.653 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001423728337 1011458002 /nfs/dbraw/zinc/45/80/02/1011458002.db2.gz MFKULLNRERWBLX-UHFFFAOYSA-N 2 2 312.801 0.891 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001564077745 1012519274 /nfs/dbraw/zinc/51/92/74/1012519274.db2.gz ULKJVNQCSGYGHT-OAHLLOKOSA-N 3 2 321.469 0.019 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001564077745 1012519292 /nfs/dbraw/zinc/51/92/92/1012519292.db2.gz ULKJVNQCSGYGHT-OAHLLOKOSA-N 3 2 321.469 0.019 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001500047790 1018189372 /nfs/dbraw/zinc/18/93/72/1018189372.db2.gz XWDQPNCRGUZFIJ-AWEZNQCLSA-N 2 2 318.421 0.913 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480287809 1018401844 /nfs/dbraw/zinc/40/18/44/1018401844.db2.gz WUCYBELTBKRLST-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001480307678 1018414743 /nfs/dbraw/zinc/41/47/43/1018414743.db2.gz VFIMEOCGYUOKKR-OAHLLOKOSA-N 2 2 306.410 0.914 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001480412642 1018508810 /nfs/dbraw/zinc/50/88/10/1018508810.db2.gz KVHDUDBMACJTCC-UHFFFAOYSA-N 2 2 319.409 0.202 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001495471349 1018525234 /nfs/dbraw/zinc/52/52/34/1018525234.db2.gz WYYACQICZSAXBM-JOCQHMNTSA-N 2 2 319.409 0.271 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2csnn2)CC1 ZINC001498197785 1018745671 /nfs/dbraw/zinc/74/56/71/1018745671.db2.gz VVYXVZDIEBJMMA-LBPRGKRZSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001496714407 1019561279 /nfs/dbraw/zinc/56/12/79/1019561279.db2.gz JXAFGGHFOPHHNB-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001496714407 1019561295 /nfs/dbraw/zinc/56/12/95/1019561295.db2.gz JXAFGGHFOPHHNB-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001496714407 1019561306 /nfs/dbraw/zinc/56/13/06/1019561306.db2.gz JXAFGGHFOPHHNB-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001496714407 1019561319 /nfs/dbraw/zinc/56/13/19/1019561319.db2.gz JXAFGGHFOPHHNB-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001496714405 1019562740 /nfs/dbraw/zinc/56/27/40/1019562740.db2.gz JXAFGGHFOPHHNB-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001496714405 1019562752 /nfs/dbraw/zinc/56/27/52/1019562752.db2.gz JXAFGGHFOPHHNB-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001496714405 1019562766 /nfs/dbraw/zinc/56/27/66/1019562766.db2.gz JXAFGGHFOPHHNB-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001496714405 1019562779 /nfs/dbraw/zinc/56/27/79/1019562779.db2.gz JXAFGGHFOPHHNB-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001502062487 1019674609 /nfs/dbraw/zinc/67/46/09/1019674609.db2.gz PIIUPHLAEQVBRL-GDBMZVCRSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000491253115 241112669 /nfs/dbraw/zinc/11/26/69/241112669.db2.gz LWNFLANGIBLKHJ-WMZOPIPTSA-N 2 2 319.449 0.151 20 30 DCEDLP COCC[N@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083034951 396312200 /nfs/dbraw/zinc/31/22/00/396312200.db2.gz HIYWMRSSACJMNA-CQSZACIVSA-N 2 2 306.410 0.993 20 30 DCEDLP COCC[N@@H+](C)CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083034951 396312203 /nfs/dbraw/zinc/31/22/03/396312203.db2.gz HIYWMRSSACJMNA-CQSZACIVSA-N 2 2 306.410 0.993 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634985 396305473 /nfs/dbraw/zinc/30/54/73/396305473.db2.gz CCHLXDXFJVOAMY-AWEZNQCLSA-N 2 2 308.426 0.662 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634985 396305475 /nfs/dbraw/zinc/30/54/75/396305475.db2.gz CCHLXDXFJVOAMY-AWEZNQCLSA-N 2 2 308.426 0.662 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634985 396305479 /nfs/dbraw/zinc/30/54/79/396305479.db2.gz CCHLXDXFJVOAMY-AWEZNQCLSA-N 2 2 308.426 0.662 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634985 396305480 /nfs/dbraw/zinc/30/54/80/396305480.db2.gz CCHLXDXFJVOAMY-AWEZNQCLSA-N 2 2 308.426 0.662 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1(CC#N)CC1 ZINC000594822205 396522421 /nfs/dbraw/zinc/52/24/21/396522421.db2.gz SFRRLMXIWMAANF-UHFFFAOYSA-N 2 2 316.471 0.483 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1(CC#N)CC1 ZINC000594822205 396522426 /nfs/dbraw/zinc/52/24/26/396522426.db2.gz SFRRLMXIWMAANF-UHFFFAOYSA-N 2 2 316.471 0.483 20 30 DCEDLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131806 396532390 /nfs/dbraw/zinc/53/23/90/396532390.db2.gz ITBYKLLFPSQRGY-HOTGVXAUSA-N 2 2 316.405 0.861 20 30 DCEDLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131806 396532395 /nfs/dbraw/zinc/53/23/95/396532395.db2.gz ITBYKLLFPSQRGY-HOTGVXAUSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131806 396532399 /nfs/dbraw/zinc/53/23/99/396532399.db2.gz ITBYKLLFPSQRGY-HOTGVXAUSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131806 396532402 /nfs/dbraw/zinc/53/24/02/396532402.db2.gz ITBYKLLFPSQRGY-HOTGVXAUSA-N 2 2 316.405 0.861 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@@H](C[NH3+])C1 ZINC000591350897 396905355 /nfs/dbraw/zinc/90/53/55/396905355.db2.gz MGLDYXZBOFCPGS-ZDUSSCGKSA-N 2 2 305.357 0.482 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@@H](C[NH3+])C1 ZINC000591350897 396905359 /nfs/dbraw/zinc/90/53/59/396905359.db2.gz MGLDYXZBOFCPGS-ZDUSSCGKSA-N 2 2 305.357 0.482 20 30 DCEDLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000591361306 396910244 /nfs/dbraw/zinc/91/02/44/396910244.db2.gz SLAVAYXSTSCFOB-ZDUSSCGKSA-N 2 2 301.394 0.733 20 30 DCEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000333424969 415647029 /nfs/dbraw/zinc/64/70/29/415647029.db2.gz GTCIUQBDEDNHDQ-ILXRZTDVSA-N 2 2 306.410 0.201 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131710312 415929187 /nfs/dbraw/zinc/92/91/87/415929187.db2.gz TXVJIFKKZJPGIO-OAHLLOKOSA-N 2 2 308.426 0.403 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131710312 415929190 /nfs/dbraw/zinc/92/91/90/415929190.db2.gz TXVJIFKKZJPGIO-OAHLLOKOSA-N 2 2 308.426 0.403 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000337169473 415919941 /nfs/dbraw/zinc/91/99/41/415919941.db2.gz CCFKSNLYFDTLOU-FXUDXRNXSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000337169473 415919943 /nfs/dbraw/zinc/91/99/43/415919943.db2.gz CCFKSNLYFDTLOU-FXUDXRNXSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000337169474 415920692 /nfs/dbraw/zinc/92/06/92/415920692.db2.gz CCFKSNLYFDTLOU-LVQVYYBASA-N 2 2 307.438 0.957 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000337169474 415920693 /nfs/dbraw/zinc/92/06/93/415920693.db2.gz CCFKSNLYFDTLOU-LVQVYYBASA-N 2 2 307.438 0.957 20 30 DCEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)CCn1cc[nH+]c1 ZINC000337531062 415973247 /nfs/dbraw/zinc/97/32/47/415973247.db2.gz JNRFMEISVCRMHG-UHFFFAOYSA-N 2 2 305.382 0.348 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303771012 416102778 /nfs/dbraw/zinc/10/27/78/416102778.db2.gz CDUGRQJVMZLEGI-CQSZACIVSA-N 2 2 312.458 0.961 20 30 DCEDLP C=CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000305063125 416103234 /nfs/dbraw/zinc/10/32/34/416103234.db2.gz HCPUBNXHTAOCOL-AWEZNQCLSA-N 2 2 305.426 0.992 20 30 DCEDLP C=CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000305063126 416103374 /nfs/dbraw/zinc/10/33/74/416103374.db2.gz HCPUBNXHTAOCOL-CQSZACIVSA-N 2 2 305.426 0.992 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2[C@H](C)C[NH+](CC)C[C@H]2C)CC1 ZINC000491296813 416594839 /nfs/dbraw/zinc/59/48/39/416594839.db2.gz NHHSZFCFUPLJEU-HZPDHXFCSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000491386743 416597266 /nfs/dbraw/zinc/59/72/66/416597266.db2.gz WAVHQXAIYVTKIX-IAGOWNOFSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000491386743 416597270 /nfs/dbraw/zinc/59/72/70/416597270.db2.gz WAVHQXAIYVTKIX-IAGOWNOFSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)CC1 ZINC000491408285 416598305 /nfs/dbraw/zinc/59/83/05/416598305.db2.gz VGQVJFZTGZKXLV-IMJJTQAJSA-N 2 2 307.438 0.413 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CC[C@H](C)C2)CC1 ZINC000491672443 416612949 /nfs/dbraw/zinc/61/29/49/416612949.db2.gz RWECCSFQVCHXPD-DLBZAZTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)CC1 ZINC000491672443 416612952 /nfs/dbraw/zinc/61/29/52/416612952.db2.gz RWECCSFQVCHXPD-DLBZAZTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](C(C)C)C2)CC1 ZINC000490779196 416573937 /nfs/dbraw/zinc/57/39/37/416573937.db2.gz SHWKJNUTFMNLJD-HNNXBMFYSA-N 2 2 309.479 0.837 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](C(C)C)C2)CC1 ZINC000490779196 416573948 /nfs/dbraw/zinc/57/39/48/416573948.db2.gz SHWKJNUTFMNLJD-HNNXBMFYSA-N 2 2 309.479 0.837 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000491147462 416587383 /nfs/dbraw/zinc/58/73/83/416587383.db2.gz RRYNROITVOHTJS-QGZVFWFLSA-N 2 2 312.417 0.996 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000491147462 416587386 /nfs/dbraw/zinc/58/73/86/416587386.db2.gz RRYNROITVOHTJS-QGZVFWFLSA-N 2 2 312.417 0.996 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000491728887 416619753 /nfs/dbraw/zinc/61/97/53/416619753.db2.gz JHURWILZVHKWJH-HOTGVXAUSA-N 2 2 305.422 0.122 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000491728887 416619758 /nfs/dbraw/zinc/61/97/58/416619758.db2.gz JHURWILZVHKWJH-HOTGVXAUSA-N 2 2 305.422 0.122 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000491734604 416620112 /nfs/dbraw/zinc/62/01/12/416620112.db2.gz LLUVVFXZNMEHKR-SJORKVTESA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000491747092 416622193 /nfs/dbraw/zinc/62/21/93/416622193.db2.gz MMWMPFOQYYWXNU-HOTGVXAUSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000491747092 416622195 /nfs/dbraw/zinc/62/21/95/416622195.db2.gz MMWMPFOQYYWXNU-HOTGVXAUSA-N 2 2 307.438 0.389 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000562800413 416870126 /nfs/dbraw/zinc/87/01/26/416870126.db2.gz QEWWTMWHWXKGBU-OAHLLOKOSA-N 3 2 309.458 0.311 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000562800413 416870134 /nfs/dbraw/zinc/87/01/34/416870134.db2.gz QEWWTMWHWXKGBU-OAHLLOKOSA-N 3 2 309.458 0.311 20 30 DCEDLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCN(C)CC1 ZINC000565714338 417010603 /nfs/dbraw/zinc/01/06/03/417010603.db2.gz IWLPCMMJRXICJY-CABCVRRESA-N 2 2 309.458 0.396 20 30 DCEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580543748 417710816 /nfs/dbraw/zinc/71/08/16/417710816.db2.gz QDICUSGNBQMSAU-HLLBOEOZSA-N 2 2 311.470 0.697 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000656448816 418354431 /nfs/dbraw/zinc/35/44/31/418354431.db2.gz MXKTUXNUSWHLKZ-INIZCTEOSA-N 2 2 305.426 0.748 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C[C@@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000656448816 418354433 /nfs/dbraw/zinc/35/44/33/418354433.db2.gz MXKTUXNUSWHLKZ-INIZCTEOSA-N 2 2 305.426 0.748 20 30 DCEDLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418477673 262278481 /nfs/dbraw/zinc/27/84/81/262278481.db2.gz VRKCMRVBZZEUNQ-AWEZNQCLSA-N 2 2 315.421 0.980 20 30 DCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000569803492 332681226 /nfs/dbraw/zinc/68/12/26/332681226.db2.gz YLXJRYMJVRXBDB-HNNXBMFYSA-N 2 2 305.426 0.558 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)CC1 ZINC000491298909 333019379 /nfs/dbraw/zinc/01/93/79/333019379.db2.gz XLUOEWFJMKDRRB-OAHLLOKOSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)CC1 ZINC000491298909 333019380 /nfs/dbraw/zinc/01/93/80/333019380.db2.gz XLUOEWFJMKDRRB-OAHLLOKOSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000491338217 333023772 /nfs/dbraw/zinc/02/37/72/333023772.db2.gz HASPYULWBWOBCI-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000491404746 333077924 /nfs/dbraw/zinc/07/79/24/333077924.db2.gz DYCDTZNAUZKENJ-MRXNPFEDSA-N 2 2 322.453 0.448 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000491404746 333077925 /nfs/dbraw/zinc/07/79/25/333077925.db2.gz DYCDTZNAUZKENJ-MRXNPFEDSA-N 2 2 322.453 0.448 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000491742970 333184999 /nfs/dbraw/zinc/18/49/99/333184999.db2.gz MBNVAZXEVKIQHK-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000491742970 333185001 /nfs/dbraw/zinc/18/50/01/333185001.db2.gz MBNVAZXEVKIQHK-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000491742970 333185002 /nfs/dbraw/zinc/18/50/02/333185002.db2.gz MBNVAZXEVKIQHK-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000491742970 333185003 /nfs/dbraw/zinc/18/50/03/333185003.db2.gz MBNVAZXEVKIQHK-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000329819536 336085643 /nfs/dbraw/zinc/08/56/43/336085643.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 2 309.458 0.219 20 30 DCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000329819536 336085644 /nfs/dbraw/zinc/08/56/44/336085644.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 2 309.458 0.219 20 30 DCEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329819536 336085645 /nfs/dbraw/zinc/08/56/45/336085645.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 2 309.458 0.219 20 30 DCEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329819536 336085647 /nfs/dbraw/zinc/08/56/47/336085647.db2.gz XVDXJXFLYFIHKG-YUELXQCFSA-N 2 2 309.458 0.219 20 30 DCEDLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330181387 336121672 /nfs/dbraw/zinc/12/16/72/336121672.db2.gz GSQLXSWVPDYDFN-CYBMUJFWSA-N 2 2 307.398 0.488 20 30 DCEDLP COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582773427 337146135 /nfs/dbraw/zinc/14/61/35/337146135.db2.gz MLONAWZHFQYWDT-GFCCVEGCSA-N 2 2 303.366 0.673 20 30 DCEDLP COc1cc(C#N)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582773427 337146136 /nfs/dbraw/zinc/14/61/36/337146136.db2.gz MLONAWZHFQYWDT-GFCCVEGCSA-N 2 2 303.366 0.673 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cn1 ZINC000424157125 337784250 /nfs/dbraw/zinc/78/42/50/337784250.db2.gz QRHYAVCRFDTXQV-CQSZACIVSA-N 2 2 304.398 0.085 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000081643858 341300593 /nfs/dbraw/zinc/30/05/93/341300593.db2.gz QIAIZOUOXVCIRW-OAHLLOKOSA-N 2 2 321.421 0.039 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000081643858 341300594 /nfs/dbraw/zinc/30/05/94/341300594.db2.gz QIAIZOUOXVCIRW-OAHLLOKOSA-N 2 2 321.421 0.039 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261887666 526356779 /nfs/dbraw/zinc/35/67/79/526356779.db2.gz QBVHOGBVJJXOON-GFCCVEGCSA-N 2 2 321.391 0.836 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261812871 526367322 /nfs/dbraw/zinc/36/73/22/526367322.db2.gz SVNPGEZNFPYWCV-HNNXBMFYSA-N 3 2 320.441 0.113 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261751098 526388948 /nfs/dbraw/zinc/38/89/48/526388948.db2.gz LVBDOMSYDALTLP-CHWSQXEVSA-N 2 2 322.457 0.965 20 30 DCEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@H]1CCOC1 ZINC000262804815 526414471 /nfs/dbraw/zinc/41/44/71/526414471.db2.gz NESCFTDHVNGLKY-CYBMUJFWSA-N 2 2 314.393 0.969 20 30 DCEDLP C#CCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000270989159 526708612 /nfs/dbraw/zinc/70/86/12/526708612.db2.gz DQYRLMCNJMSYDB-UHFFFAOYSA-N 2 2 315.421 0.849 20 30 DCEDLP C#CCSCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000372973587 527151566 /nfs/dbraw/zinc/15/15/66/527151566.db2.gz FWXURVAHUIAKNC-UHFFFAOYSA-N 2 2 311.495 0.739 20 30 DCEDLP C#CCSCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000372973587 527151570 /nfs/dbraw/zinc/15/15/70/527151570.db2.gz FWXURVAHUIAKNC-UHFFFAOYSA-N 2 2 311.495 0.739 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329449865 546048951 /nfs/dbraw/zinc/04/89/51/546048951.db2.gz MPMRPSWGCYZSSF-OAHLLOKOSA-N 2 2 320.441 0.680 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329449865 546048957 /nfs/dbraw/zinc/04/89/57/546048957.db2.gz MPMRPSWGCYZSSF-OAHLLOKOSA-N 2 2 320.441 0.680 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329449865 546048963 /nfs/dbraw/zinc/04/89/63/546048963.db2.gz MPMRPSWGCYZSSF-OAHLLOKOSA-N 2 2 320.441 0.680 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329449865 546048968 /nfs/dbraw/zinc/04/89/68/546048968.db2.gz MPMRPSWGCYZSSF-OAHLLOKOSA-N 2 2 320.441 0.680 20 30 DCEDLP CC(=O)N1CC[NH+](CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000329569113 546052203 /nfs/dbraw/zinc/05/22/03/546052203.db2.gz IGNLQBDRUBMTKV-UHFFFAOYSA-N 2 2 310.442 0.839 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001020432257 657603985 /nfs/dbraw/zinc/60/39/85/657603985.db2.gz HAPBEZUIJWMZGT-JYJNAYRXSA-N 2 2 307.438 0.910 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001020432257 657603987 /nfs/dbraw/zinc/60/39/87/657603987.db2.gz HAPBEZUIJWMZGT-JYJNAYRXSA-N 2 2 307.438 0.910 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971951717 658082029 /nfs/dbraw/zinc/08/20/29/658082029.db2.gz GJBLHMBRBYAROH-AWEZNQCLSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971951717 658082034 /nfs/dbraw/zinc/08/20/34/658082034.db2.gz GJBLHMBRBYAROH-AWEZNQCLSA-N 2 2 300.406 0.928 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640017 658138951 /nfs/dbraw/zinc/13/89/51/658138951.db2.gz DFXRCCIRBKRYCX-SFHVURJKSA-N 2 2 317.433 0.409 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640017 658138958 /nfs/dbraw/zinc/13/89/58/658138958.db2.gz DFXRCCIRBKRYCX-SFHVURJKSA-N 2 2 317.433 0.409 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673249 658221324 /nfs/dbraw/zinc/22/13/24/658221324.db2.gz GECWVAXKQXSTSQ-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673249 658221327 /nfs/dbraw/zinc/22/13/27/658221327.db2.gz GECWVAXKQXSTSQ-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673249 658221334 /nfs/dbraw/zinc/22/13/34/658221334.db2.gz GECWVAXKQXSTSQ-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673249 658221336 /nfs/dbraw/zinc/22/13/36/658221336.db2.gz GECWVAXKQXSTSQ-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972159792 658393403 /nfs/dbraw/zinc/39/34/03/658393403.db2.gz YYYNFMRKCFOEBR-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972159792 658393414 /nfs/dbraw/zinc/39/34/14/658393414.db2.gz YYYNFMRKCFOEBR-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972159792 658393424 /nfs/dbraw/zinc/39/34/24/658393424.db2.gz YYYNFMRKCFOEBR-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972159792 658393431 /nfs/dbraw/zinc/39/34/31/658393431.db2.gz YYYNFMRKCFOEBR-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380836 658646520 /nfs/dbraw/zinc/64/65/20/658646520.db2.gz KIAISJAAICSHNA-FUHWJXTLSA-N 2 2 317.433 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380836 658646523 /nfs/dbraw/zinc/64/65/23/658646523.db2.gz KIAISJAAICSHNA-FUHWJXTLSA-N 2 2 317.433 0.265 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402995 658722230 /nfs/dbraw/zinc/72/22/30/658722230.db2.gz ZBOSFPMBAFCBSF-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402995 658722233 /nfs/dbraw/zinc/72/22/33/658722233.db2.gz ZBOSFPMBAFCBSF-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402995 658722235 /nfs/dbraw/zinc/72/22/35/658722235.db2.gz ZBOSFPMBAFCBSF-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402995 658722237 /nfs/dbraw/zinc/72/22/37/658722237.db2.gz ZBOSFPMBAFCBSF-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972419200 658742965 /nfs/dbraw/zinc/74/29/65/658742965.db2.gz BZHIJHWIVRWCOP-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419200 658742968 /nfs/dbraw/zinc/74/29/68/658742968.db2.gz BZHIJHWIVRWCOP-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419200 658742972 /nfs/dbraw/zinc/74/29/72/658742972.db2.gz BZHIJHWIVRWCOP-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419200 658742978 /nfs/dbraw/zinc/74/29/78/658742978.db2.gz BZHIJHWIVRWCOP-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972419202 658743265 /nfs/dbraw/zinc/74/32/65/658743265.db2.gz BZHIJHWIVRWCOP-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972419202 658743268 /nfs/dbraw/zinc/74/32/68/658743268.db2.gz BZHIJHWIVRWCOP-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419202 658743274 /nfs/dbraw/zinc/74/32/74/658743274.db2.gz BZHIJHWIVRWCOP-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972419202 658743279 /nfs/dbraw/zinc/74/32/79/658743279.db2.gz BZHIJHWIVRWCOP-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001021088649 658749851 /nfs/dbraw/zinc/74/98/51/658749851.db2.gz WZPVTDTZEDICHQ-HDJSIYSDSA-N 2 2 303.431 0.976 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001021088649 658749855 /nfs/dbraw/zinc/74/98/55/658749855.db2.gz WZPVTDTZEDICHQ-HDJSIYSDSA-N 2 2 303.431 0.976 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961492 659143483 /nfs/dbraw/zinc/14/34/83/659143483.db2.gz KGODEJSTOHXRQD-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961492 659143486 /nfs/dbraw/zinc/14/34/86/659143486.db2.gz KGODEJSTOHXRQD-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000116115 665746265 /nfs/dbraw/zinc/74/62/65/665746265.db2.gz GWCLXMRSQUOFMS-HNNXBMFYSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000116115 665746268 /nfs/dbraw/zinc/74/62/68/665746268.db2.gz GWCLXMRSQUOFMS-HNNXBMFYSA-N 2 2 307.438 0.864 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643496 661716052 /nfs/dbraw/zinc/71/60/52/661716052.db2.gz OVLPZKFGUPNOQW-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCC[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000894929745 662035108 /nfs/dbraw/zinc/03/51/08/662035108.db2.gz BIKPLXKMEOGXBP-KRWDZBQOSA-N 2 2 311.470 0.700 20 30 DCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001030329480 664513833 /nfs/dbraw/zinc/51/38/33/664513833.db2.gz CQMWEVAPQMLTMJ-SJORKVTESA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730285722 664676795 /nfs/dbraw/zinc/67/67/95/664676795.db2.gz GKFSDTWMDNYGHN-HRCADAONSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000730285722 664676796 /nfs/dbraw/zinc/67/67/96/664676796.db2.gz GKFSDTWMDNYGHN-HRCADAONSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000732308350 664913101 /nfs/dbraw/zinc/91/31/01/664913101.db2.gz YBJUQCCBFVAYHK-CVEARBPZSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000732308350 664913102 /nfs/dbraw/zinc/91/31/02/664913102.db2.gz YBJUQCCBFVAYHK-CVEARBPZSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000917015393 665109060 /nfs/dbraw/zinc/10/90/60/665109060.db2.gz HWCRDTLIZWMTIF-GJZGRUSLSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000917224932 665122083 /nfs/dbraw/zinc/12/20/83/665122083.db2.gz YTICLHFRDOASND-OAHLLOKOSA-N 2 2 321.469 0.019 20 30 DCEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509491 666011767 /nfs/dbraw/zinc/01/17/67/666011767.db2.gz NNQWWZJUVSQZQS-UHFFFAOYSA-N 2 2 317.437 0.678 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001001539830 666070330 /nfs/dbraw/zinc/07/03/30/666070330.db2.gz UMHXNGZKUSTIRD-HNNXBMFYSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032443815 667270339 /nfs/dbraw/zinc/27/03/39/667270339.db2.gz DOQBLDRPHWYFJT-JYJNAYRXSA-N 2 2 315.421 0.122 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032443815 667270342 /nfs/dbraw/zinc/27/03/42/667270342.db2.gz DOQBLDRPHWYFJT-JYJNAYRXSA-N 2 2 315.421 0.122 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CCCOC1 ZINC000865799317 667348524 /nfs/dbraw/zinc/34/85/24/667348524.db2.gz NZXKHWSWFWDWFS-QGZVFWFLSA-N 2 2 322.453 0.791 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CCCOC1 ZINC000865799317 667348527 /nfs/dbraw/zinc/34/85/27/667348527.db2.gz NZXKHWSWFWDWFS-QGZVFWFLSA-N 2 2 322.453 0.791 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000884228994 667504732 /nfs/dbraw/zinc/50/47/32/667504732.db2.gz FEROEHVBOWOTNG-KKUMJFAQSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000884228994 667504736 /nfs/dbraw/zinc/50/47/36/667504736.db2.gz FEROEHVBOWOTNG-KKUMJFAQSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000884228994 667504740 /nfs/dbraw/zinc/50/47/40/667504740.db2.gz FEROEHVBOWOTNG-KKUMJFAQSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000884228994 667504742 /nfs/dbraw/zinc/50/47/42/667504742.db2.gz FEROEHVBOWOTNG-KKUMJFAQSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559502 667562704 /nfs/dbraw/zinc/56/27/04/667562704.db2.gz GVEACUQGRDCRFR-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559502 667562708 /nfs/dbraw/zinc/56/27/08/667562708.db2.gz GVEACUQGRDCRFR-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C#CCN1C(=O)C[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000887301406 667866745 /nfs/dbraw/zinc/86/67/45/667866745.db2.gz XKZYJZGDSDAQQA-ZFWWWQNUSA-N 2 2 312.373 0.353 20 30 DCEDLP C#CCN1C(=O)C[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000887301406 667866749 /nfs/dbraw/zinc/86/67/49/667866749.db2.gz XKZYJZGDSDAQQA-ZFWWWQNUSA-N 2 2 312.373 0.353 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000888038278 667939678 /nfs/dbraw/zinc/93/96/78/667939678.db2.gz RKUOYRRCJRRATK-HUUCEWRRSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000888038278 667939680 /nfs/dbraw/zinc/93/96/80/667939680.db2.gz RKUOYRRCJRRATK-HUUCEWRRSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000888038278 667939682 /nfs/dbraw/zinc/93/96/82/667939682.db2.gz RKUOYRRCJRRATK-HUUCEWRRSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000888038278 667939684 /nfs/dbraw/zinc/93/96/84/667939684.db2.gz RKUOYRRCJRRATK-HUUCEWRRSA-N 2 2 308.426 0.104 20 30 DCEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)nc1 ZINC000925610313 668335948 /nfs/dbraw/zinc/33/59/48/668335948.db2.gz ZRBVTQYRGOMWSG-HNNXBMFYSA-N 2 2 301.394 0.500 20 30 DCEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)nc1 ZINC000925610318 668336506 /nfs/dbraw/zinc/33/65/06/668336506.db2.gz ZRBVTQYRGOMWSG-OAHLLOKOSA-N 2 2 301.394 0.500 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000876900435 668531714 /nfs/dbraw/zinc/53/17/14/668531714.db2.gz ZSFIQJWZUNSHSA-RYUDHWBXSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000876900435 668531716 /nfs/dbraw/zinc/53/17/16/668531716.db2.gz ZSFIQJWZUNSHSA-RYUDHWBXSA-N 2 2 317.817 0.552 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)o1 ZINC000878337987 668715826 /nfs/dbraw/zinc/71/58/26/668715826.db2.gz LBKCMQOMWOHKOM-UHFFFAOYSA-N 2 2 305.378 0.810 20 30 DCEDLP C#C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000775572265 668865301 /nfs/dbraw/zinc/86/53/01/668865301.db2.gz QKQQUDMQDRGHJR-MSOLQXFVSA-N 2 2 321.465 0.553 20 30 DCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCN2CCOC2=O)cc1 ZINC000882981462 669633570 /nfs/dbraw/zinc/63/35/70/669633570.db2.gz MIDUMHIYXORVTG-UHFFFAOYSA-N 2 2 306.366 0.837 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949388721 670330297 /nfs/dbraw/zinc/33/02/97/670330297.db2.gz KIHAFSGEHGOABL-INIZCTEOSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949388721 670330301 /nfs/dbraw/zinc/33/03/01/670330301.db2.gz KIHAFSGEHGOABL-INIZCTEOSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958182707 687414258 /nfs/dbraw/zinc/41/42/58/687414258.db2.gz FMQRZLKEPDKTID-CJNGLKHVSA-N 2 2 312.373 0.609 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958182707 687414261 /nfs/dbraw/zinc/41/42/61/687414261.db2.gz FMQRZLKEPDKTID-CJNGLKHVSA-N 2 2 312.373 0.609 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958257570 687484503 /nfs/dbraw/zinc/48/45/03/687484503.db2.gz HKUPZMUQEQMEFU-UKRRQHHQSA-N 2 2 314.389 0.933 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958257570 687484510 /nfs/dbraw/zinc/48/45/10/687484510.db2.gz HKUPZMUQEQMEFU-UKRRQHHQSA-N 2 2 314.389 0.933 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000958558512 687745777 /nfs/dbraw/zinc/74/57/77/687745777.db2.gz IHZXGALVKWOUFV-RDJZCZTQSA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000958558512 687745784 /nfs/dbraw/zinc/74/57/84/687745784.db2.gz IHZXGALVKWOUFV-RDJZCZTQSA-N 2 2 324.384 0.528 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016253433 692619269 /nfs/dbraw/zinc/61/92/69/692619269.db2.gz ZLEXWEPKSDSEMY-LSDHHAIUSA-N 2 2 320.437 0.060 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016253433 692619273 /nfs/dbraw/zinc/61/92/73/692619273.db2.gz ZLEXWEPKSDSEMY-LSDHHAIUSA-N 2 2 320.437 0.060 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017570194 692940062 /nfs/dbraw/zinc/94/00/62/692940062.db2.gz WQANKAHMPQBCJW-YVSFHVDLSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017570194 692940063 /nfs/dbraw/zinc/94/00/63/692940063.db2.gz WQANKAHMPQBCJW-YVSFHVDLSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017570194 692940065 /nfs/dbraw/zinc/94/00/65/692940065.db2.gz WQANKAHMPQBCJW-YVSFHVDLSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017570194 692940066 /nfs/dbraw/zinc/94/00/66/692940066.db2.gz WQANKAHMPQBCJW-YVSFHVDLSA-N 2 2 317.433 0.548 20 30 DCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001018290015 693079362 /nfs/dbraw/zinc/07/93/62/693079362.db2.gz SNNAPCVVPLQZNW-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001018290015 693079369 /nfs/dbraw/zinc/07/93/69/693079369.db2.gz SNNAPCVVPLQZNW-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018290015 693079374 /nfs/dbraw/zinc/07/93/74/693079374.db2.gz SNNAPCVVPLQZNW-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018290015 693079380 /nfs/dbraw/zinc/07/93/80/693079380.db2.gz SNNAPCVVPLQZNW-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158081 694710731 /nfs/dbraw/zinc/71/07/31/694710731.db2.gz LEBSXDXWFBYIKA-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001073158081 694710733 /nfs/dbraw/zinc/71/07/33/694710733.db2.gz LEBSXDXWFBYIKA-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073449320 694728207 /nfs/dbraw/zinc/72/82/07/694728207.db2.gz UHLJKVGGWDQGGE-MRXNPFEDSA-N 2 2 317.433 0.265 20 30 DCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C2)C1 ZINC001073449320 694728208 /nfs/dbraw/zinc/72/82/08/694728208.db2.gz UHLJKVGGWDQGGE-MRXNPFEDSA-N 2 2 317.433 0.265 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075975944 694990669 /nfs/dbraw/zinc/99/06/69/694990669.db2.gz AQVGLGJQAQVXKW-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075975944 694990670 /nfs/dbraw/zinc/99/06/70/694990670.db2.gz AQVGLGJQAQVXKW-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001570760167 1162615214 /nfs/dbraw/zinc/61/52/14/1162615214.db2.gz CEXQZTKYKHBJSR-OAHLLOKOSA-N 2 2 309.454 0.990 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001570760167 1162615215 /nfs/dbraw/zinc/61/52/15/1162615215.db2.gz CEXQZTKYKHBJSR-OAHLLOKOSA-N 2 2 309.454 0.990 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571602468 1162849267 /nfs/dbraw/zinc/84/92/67/1162849267.db2.gz GWLPAHAANSZDAI-CABCVRRESA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571602468 1162849273 /nfs/dbraw/zinc/84/92/73/1162849273.db2.gz GWLPAHAANSZDAI-CABCVRRESA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001772513520 1157397766 /nfs/dbraw/zinc/39/77/66/1157397766.db2.gz YFPZLKKAHPRGSE-RBSFLKMASA-N 2 2 318.421 0.298 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001772513520 1157397773 /nfs/dbraw/zinc/39/77/73/1157397773.db2.gz YFPZLKKAHPRGSE-RBSFLKMASA-N 2 2 318.421 0.298 20 30 DCEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001772514724 1157402217 /nfs/dbraw/zinc/40/22/17/1157402217.db2.gz UTTIPCROPHYKEF-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001691282240 1157629893 /nfs/dbraw/zinc/62/98/93/1157629893.db2.gz CRHBOTNRYIVMBC-INIZCTEOSA-N 2 2 316.405 0.437 20 30 DCEDLP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001691282240 1157629896 /nfs/dbraw/zinc/62/98/96/1157629896.db2.gz CRHBOTNRYIVMBC-INIZCTEOSA-N 2 2 316.405 0.437 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001755333328 1158032441 /nfs/dbraw/zinc/03/24/41/1158032441.db2.gz GSVDHVMUDKAYQG-OAHLLOKOSA-N 2 2 309.454 0.988 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001755333328 1158032448 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CYFDBBFYHWRYBD-UKRRQHHQSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)n(C)n1 ZINC001716440672 1182390733 /nfs/dbraw/zinc/39/07/33/1182390733.db2.gz MOXZJQJOFRXQKR-BBRMVZONSA-N 2 2 317.437 0.420 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)n(C)n1 ZINC001716440672 1182390739 /nfs/dbraw/zinc/39/07/39/1182390739.db2.gz MOXZJQJOFRXQKR-BBRMVZONSA-N 2 2 317.437 0.420 20 30 DCEDLP C=C(Cl)C[NH2+]CCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001717064556 1182661781 /nfs/dbraw/zinc/66/17/81/1182661781.db2.gz PRWFXDOPWJHOOE-UHFFFAOYSA-N 2 2 314.817 0.850 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717920430 1183060566 /nfs/dbraw/zinc/06/05/66/1183060566.db2.gz AJUSHLHRWYOFJZ-GDBMZVCRSA-N 2 2 320.437 0.821 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001724983496 1184643486 /nfs/dbraw/zinc/64/34/86/1184643486.db2.gz DNPCZMKMYKYZMR-CQSZACIVSA-N 2 2 316.405 0.022 20 30 DCEDLP 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2 322.409 0.096 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809134 763054933 /nfs/dbraw/zinc/05/49/33/763054933.db2.gz CRBQSOWLWXTSDS-KBPBESRZSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809134 763054939 /nfs/dbraw/zinc/05/49/39/763054939.db2.gz CRBQSOWLWXTSDS-KBPBESRZSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969554 763174978 /nfs/dbraw/zinc/17/49/78/763174978.db2.gz KDEGDLQKWAYSRU-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969554 763174984 /nfs/dbraw/zinc/17/49/84/763174984.db2.gz KDEGDLQKWAYSRU-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001130439893 763317845 /nfs/dbraw/zinc/31/78/45/763317845.db2.gz XPSSESGVUMNUTD-LBPRGKRZSA-N 2 2 314.393 0.967 20 30 DCEDLP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001130439893 763317854 /nfs/dbraw/zinc/31/78/54/763317854.db2.gz XPSSESGVUMNUTD-LBPRGKRZSA-N 2 2 314.393 0.967 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293356 763465092 /nfs/dbraw/zinc/46/50/92/763465092.db2.gz PKVDMAKAXRVDCF-UHFFFAOYSA-N 2 2 304.394 0.477 20 30 DCEDLP CCC[N@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131115456 763651826 /nfs/dbraw/zinc/65/18/26/763651826.db2.gz MSPBVRUXSLHXRE-ZIAGYGMSSA-N 2 2 318.425 0.169 20 30 DCEDLP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131115456 763651830 /nfs/dbraw/zinc/65/18/30/763651830.db2.gz MSPBVRUXSLHXRE-ZIAGYGMSSA-N 2 2 318.425 0.169 20 30 DCEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131387947 763794514 /nfs/dbraw/zinc/79/45/14/763794514.db2.gz CZHIJKIZCHTUNL-UHFFFAOYSA-N 2 2 322.453 0.002 20 30 DCEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131387947 763794520 /nfs/dbraw/zinc/79/45/20/763794520.db2.gz CZHIJKIZCHTUNL-UHFFFAOYSA-N 2 2 322.453 0.002 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403289 764086075 /nfs/dbraw/zinc/08/60/75/764086075.db2.gz BEBHJSAHFSGMKL-PBHICJAKSA-N 2 2 318.421 0.935 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403289 764086083 /nfs/dbraw/zinc/08/60/83/764086083.db2.gz BEBHJSAHFSGMKL-PBHICJAKSA-N 2 2 318.421 0.935 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025251 764185460 /nfs/dbraw/zinc/18/54/60/764185460.db2.gz NBGYYXSICKBPFB-HUUCEWRRSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025251 764185466 /nfs/dbraw/zinc/18/54/66/764185466.db2.gz NBGYYXSICKBPFB-HUUCEWRRSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490406 764484519 /nfs/dbraw/zinc/48/45/19/764484519.db2.gz UPMGJLCPZJQXDV-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490406 764484523 /nfs/dbraw/zinc/48/45/23/764484523.db2.gz UPMGJLCPZJQXDV-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134545441 765563340 /nfs/dbraw/zinc/56/33/40/765563340.db2.gz OUNXGHLEPHTAPH-QWHCGFSZSA-N 2 2 321.425 0.517 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134545441 765563345 /nfs/dbraw/zinc/56/33/45/765563345.db2.gz OUNXGHLEPHTAPH-QWHCGFSZSA-N 2 2 321.425 0.517 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001115316178 765690828 /nfs/dbraw/zinc/69/08/28/765690828.db2.gz RDRHSYODONGTLL-LTIDMASMSA-N 2 2 312.417 0.754 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001115316178 765690830 /nfs/dbraw/zinc/69/08/30/765690830.db2.gz RDRHSYODONGTLL-LTIDMASMSA-N 2 2 312.417 0.754 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136055066 766225687 /nfs/dbraw/zinc/22/56/87/766225687.db2.gz MMQVXXKNMQWYEP-GJZGRUSLSA-N 2 2 320.437 0.875 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2=O)C1 ZINC001094749716 769249694 /nfs/dbraw/zinc/24/96/94/769249694.db2.gz FOPIPUDTIWAVCS-HIFRSBDPSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2=O)C1 ZINC001094749716 769249700 /nfs/dbraw/zinc/24/97/00/769249700.db2.gz FOPIPUDTIWAVCS-HIFRSBDPSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235304458 769802092 /nfs/dbraw/zinc/80/20/92/769802092.db2.gz REAAOACQSDBKFM-HUUCEWRRSA-N 2 2 305.426 0.532 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235304458 769802108 /nfs/dbraw/zinc/80/21/08/769802108.db2.gz REAAOACQSDBKFM-HUUCEWRRSA-N 2 2 305.426 0.532 20 30 DCEDLP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176385217 770088120 /nfs/dbraw/zinc/08/81/20/770088120.db2.gz JLBYNVWYUNOHQD-LSDHHAIUSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176385217 770088135 /nfs/dbraw/zinc/08/81/35/770088135.db2.gz JLBYNVWYUNOHQD-LSDHHAIUSA-N 2 2 319.409 0.224 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177157339 770363033 /nfs/dbraw/zinc/36/30/33/770363033.db2.gz QXIIAOZMVOFCMG-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177157339 770363043 /nfs/dbraw/zinc/36/30/43/770363043.db2.gz QXIIAOZMVOFCMG-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157339 770363055 /nfs/dbraw/zinc/36/30/55/770363055.db2.gz QXIIAOZMVOFCMG-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157339 770363062 /nfs/dbraw/zinc/36/30/62/770363062.db2.gz QXIIAOZMVOFCMG-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180006579 771050164 /nfs/dbraw/zinc/05/01/64/771050164.db2.gz CGJKSZOUTBPOQW-KBPBESRZSA-N 2 2 304.394 0.489 20 30 DCEDLP COCC#CC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180064943 771059065 /nfs/dbraw/zinc/05/90/65/771059065.db2.gz AYHIWDKKGMIBDV-UHFFFAOYSA-N 2 2 320.437 0.879 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183773702 771699396 /nfs/dbraw/zinc/69/93/96/771699396.db2.gz TZEYLYGGTXRYKE-HUUCEWRRSA-N 2 2 316.405 0.286 20 30 DCEDLP COc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1C#N ZINC001158259109 771747754 /nfs/dbraw/zinc/74/77/54/771747754.db2.gz NXFGHGURMIYIOF-CYBMUJFWSA-N 2 2 301.394 0.964 20 30 DCEDLP COc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1C#N ZINC001158259109 771747756 /nfs/dbraw/zinc/74/77/56/771747756.db2.gz NXFGHGURMIYIOF-CYBMUJFWSA-N 2 2 301.394 0.964 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185382154 771909389 /nfs/dbraw/zinc/90/93/89/771909389.db2.gz WXDYBOGKGHCTHZ-GJZGRUSLSA-N 2 2 318.421 0.676 20 30 DCEDLP C=CCN1C(=O)CC[C@@]12CCCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159653108 771939601 /nfs/dbraw/zinc/93/96/01/771939601.db2.gz ORBNUSPHQVQGAS-GRDNDAEWSA-N 2 2 320.437 0.235 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185787313 771955029 /nfs/dbraw/zinc/95/50/29/771955029.db2.gz DXOWWIDHWOLEAU-JKSUJKDBSA-N 2 2 318.421 0.607 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221794 772017573 /nfs/dbraw/zinc/01/75/73/772017573.db2.gz POYSXLSVEUJODE-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221794 772017579 /nfs/dbraw/zinc/01/75/79/772017579.db2.gz POYSXLSVEUJODE-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)C1 ZINC001161138685 772173708 /nfs/dbraw/zinc/17/37/08/772173708.db2.gz DFTNBBUDQYTVCU-CZUORRHYSA-N 2 2 316.361 0.051 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714484 772214658 /nfs/dbraw/zinc/21/46/58/772214658.db2.gz SDBLYCXWUSMOCX-LSDHHAIUSA-N 2 2 316.405 0.525 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001187714484 772214660 /nfs/dbraw/zinc/21/46/60/772214660.db2.gz SDBLYCXWUSMOCX-LSDHHAIUSA-N 2 2 316.405 0.525 20 30 DCEDLP C=CC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)(COC)CC1 ZINC001162577038 772393970 /nfs/dbraw/zinc/39/39/70/772393970.db2.gz RJTYEQGLOQFIFQ-UHFFFAOYSA-N 2 2 320.437 0.993 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164492207 772667867 /nfs/dbraw/zinc/66/78/67/772667867.db2.gz WXCJIPVJBPTINQ-MRXNPFEDSA-N 2 2 307.438 0.749 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164492207 772667870 /nfs/dbraw/zinc/66/78/70/772667870.db2.gz WXCJIPVJBPTINQ-MRXNPFEDSA-N 2 2 307.438 0.749 20 30 DCEDLP C[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000163070742 772977367 /nfs/dbraw/zinc/97/73/67/772977367.db2.gz DRNONWFUQSDDLV-CQSZACIVSA-N 2 2 307.419 0.873 20 30 DCEDLP C[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000163070742 772977370 /nfs/dbraw/zinc/97/73/70/772977370.db2.gz DRNONWFUQSDDLV-CQSZACIVSA-N 2 2 307.419 0.873 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205118978 772978580 /nfs/dbraw/zinc/97/85/80/772978580.db2.gz JWLNTCWFWYLLJJ-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001196282485 773573800 /nfs/dbraw/zinc/57/38/00/773573800.db2.gz SQVBEIVZLMALHQ-LSDHHAIUSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001196282485 773573804 /nfs/dbraw/zinc/57/38/04/773573804.db2.gz SQVBEIVZLMALHQ-LSDHHAIUSA-N 2 2 324.469 0.552 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826870 773657033 /nfs/dbraw/zinc/65/70/33/773657033.db2.gz LUJXETGWDMVTSG-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826870 773657036 /nfs/dbraw/zinc/65/70/36/773657036.db2.gz LUJXETGWDMVTSG-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196826870 773657039 /nfs/dbraw/zinc/65/70/39/773657039.db2.gz LUJXETGWDMVTSG-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196826870 773657041 /nfs/dbraw/zinc/65/70/41/773657041.db2.gz LUJXETGWDMVTSG-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943085 773673474 /nfs/dbraw/zinc/67/34/74/773673474.db2.gz KXHXEBZXSOSGNV-UHFFFAOYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196943085 773673479 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C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266246815 939025905 /nfs/dbraw/zinc/02/59/05/939025905.db2.gz XDXKCFFERCBVED-UONOGXRCSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266251929 939027276 /nfs/dbraw/zinc/02/72/76/939027276.db2.gz IRAZZOBYVOGRJD-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266251929 939027279 /nfs/dbraw/zinc/02/72/79/939027279.db2.gz IRAZZOBYVOGRJD-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251929 939027282 /nfs/dbraw/zinc/02/72/82/939027282.db2.gz IRAZZOBYVOGRJD-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251929 939027285 /nfs/dbraw/zinc/02/72/85/939027285.db2.gz IRAZZOBYVOGRJD-CQSZACIVSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266531086 939153587 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DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001484682641 943515222 /nfs/dbraw/zinc/51/52/22/943515222.db2.gz RSYXDPJFQNESPR-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001491157521 943794830 /nfs/dbraw/zinc/79/48/30/943794830.db2.gz PTMACWXKQUPJGX-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485356909 943890307 /nfs/dbraw/zinc/89/03/07/943890307.db2.gz MHIYSBGFPZXFPO-HUUCEWRRSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485356909 943890312 /nfs/dbraw/zinc/89/03/12/943890312.db2.gz MHIYSBGFPZXFPO-HUUCEWRRSA-N 2 2 306.410 0.921 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001485554770 943994942 /nfs/dbraw/zinc/99/49/42/943994942.db2.gz DJBAZULIUJBKNM-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001485554770 943994944 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DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOC(C)C ZINC001276866798 944334319 /nfs/dbraw/zinc/33/43/19/944334319.db2.gz HIUCSILZXYZUBG-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001486341881 944822326 /nfs/dbraw/zinc/82/23/26/944822326.db2.gz YXYDHEWGCPPKKM-ZFWWWQNUSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001486341881 944822329 /nfs/dbraw/zinc/82/23/29/944822329.db2.gz YXYDHEWGCPPKKM-ZFWWWQNUSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486495102 944928084 /nfs/dbraw/zinc/92/80/84/944928084.db2.gz JLHMJIXOJMWOAN-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001277774701 944973207 /nfs/dbraw/zinc/97/32/07/944973207.db2.gz PKMBSSAMOCPEOI-QWHCGFSZSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001317445592 944974898 /nfs/dbraw/zinc/97/48/98/944974898.db2.gz CSBRNAOXXJFPRR-UONOGXRCSA-N 2 2 310.442 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001317445592 944974905 /nfs/dbraw/zinc/97/49/05/944974905.db2.gz CSBRNAOXXJFPRR-UONOGXRCSA-N 2 2 310.442 0.067 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317445592 944974907 /nfs/dbraw/zinc/97/49/07/944974907.db2.gz CSBRNAOXXJFPRR-UONOGXRCSA-N 2 2 310.442 0.067 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001317445592 944974914 /nfs/dbraw/zinc/97/49/14/944974914.db2.gz CSBRNAOXXJFPRR-UONOGXRCSA-N 2 2 310.442 0.067 20 30 DCEDLP COC(=O)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277821865 944992424 /nfs/dbraw/zinc/99/24/24/944992424.db2.gz QLJDOQBJKMXDNE-UHFFFAOYSA-N 2 2 316.405 0.968 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001277953615 945056156 /nfs/dbraw/zinc/05/61/56/945056156.db2.gz CYBLORYAGYXGAM-GJZGRUSLSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001277953617 945056411 /nfs/dbraw/zinc/05/64/11/945056411.db2.gz CYBLORYAGYXGAM-LSDHHAIUSA-N 2 2 306.410 0.921 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)c1cc(C[NH+](C)C)on1 ZINC001320778272 946013822 /nfs/dbraw/zinc/01/38/22/946013822.db2.gz QXPPRGPOVUFDPM-UHFFFAOYSA-N 2 2 322.409 0.438 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273277393 946415240 /nfs/dbraw/zinc/41/52/40/946415240.db2.gz SXTYZKFMGOYFTO-JKSUJKDBSA-N 2 2 318.421 0.921 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)CCc2[nH]cc[nH+]2)c1C#N ZINC001323497565 947103159 /nfs/dbraw/zinc/10/31/59/947103159.db2.gz JJOYXSPHQDZMJY-UHFFFAOYSA-N 2 2 301.354 0.728 20 30 DCEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001324408545 947418773 /nfs/dbraw/zinc/41/87/73/947418773.db2.gz UGRSSVWJQDYHQW-OAHLLOKOSA-N 2 2 318.421 0.580 20 30 DCEDLP C=C(C)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001325025505 947615154 /nfs/dbraw/zinc/61/51/54/947615154.db2.gz JDZLARNVHNBCCK-UHFFFAOYSA-N 2 2 306.410 0.794 20 30 DCEDLP C#CC[NH2+]CC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001263097307 947808770 /nfs/dbraw/zinc/80/87/70/947808770.db2.gz RMKRIDJWHYOEAB-UHFFFAOYSA-N 2 2 314.389 0.236 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325860720 947956701 /nfs/dbraw/zinc/95/67/01/947956701.db2.gz PSWCZSJAZBEJBX-NVXWUHKLSA-N 2 2 318.421 0.801 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325860720 947956705 /nfs/dbraw/zinc/95/67/05/947956705.db2.gz PSWCZSJAZBEJBX-NVXWUHKLSA-N 2 2 318.421 0.801 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cc1c[nH+]cn1C)O2 ZINC001273669457 948015086 /nfs/dbraw/zinc/01/50/86/948015086.db2.gz UUMYCWGFJHRKGZ-OAHLLOKOSA-N 2 2 318.421 0.888 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273886195 948655818 /nfs/dbraw/zinc/65/58/18/948655818.db2.gz WIHVQCDOOLNCEH-GOEBONIOSA-N 2 2 304.394 0.497 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273886195 948655822 /nfs/dbraw/zinc/65/58/22/948655822.db2.gz WIHVQCDOOLNCEH-GOEBONIOSA-N 2 2 304.394 0.497 20 30 DCEDLP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273884993 948659835 /nfs/dbraw/zinc/65/98/35/948659835.db2.gz MBSOGHNLRJWBNL-LSDHHAIUSA-N 2 2 318.421 0.685 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001263865666 948789079 /nfs/dbraw/zinc/78/90/79/948789079.db2.gz QEBODPYWFOPTHX-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001263865665 948789535 /nfs/dbraw/zinc/78/95/35/948789535.db2.gz QEBODPYWFOPTHX-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266006062 950247252 /nfs/dbraw/zinc/24/72/52/950247252.db2.gz HNUGBIHMYKVIBZ-CABCVRRESA-N 2 2 318.421 0.961 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266191830 950455090 /nfs/dbraw/zinc/45/50/90/950455090.db2.gz KSDDLNPFCWHJOK-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001490493406 950749041 /nfs/dbraw/zinc/74/90/41/950749041.db2.gz ZRQOERWELGSNNS-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490493406 950749061 /nfs/dbraw/zinc/74/90/61/950749061.db2.gz ZRQOERWELGSNNS-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331133584 950940790 /nfs/dbraw/zinc/94/07/90/950940790.db2.gz RDSSPISWHMHNMV-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001331133584 950940805 /nfs/dbraw/zinc/94/08/05/950940805.db2.gz RDSSPISWHMHNMV-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001331361613 951090435 /nfs/dbraw/zinc/09/04/35/951090435.db2.gz RBKCGTKNNMDYNH-HNNXBMFYSA-N 2 2 304.394 0.360 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001281284453 951434042 /nfs/dbraw/zinc/43/40/42/951434042.db2.gz CGOCAPXTURSWBF-UHFFFAOYSA-N 2 2 318.421 0.942 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001332528719 951682056 /nfs/dbraw/zinc/68/20/56/951682056.db2.gz KRBZQGZNLRKSJP-KGLIPLIRSA-N 2 2 306.410 0.431 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274617280 951745308 /nfs/dbraw/zinc/74/53/08/951745308.db2.gz WTVOQKLPRAZDPP-SJORKVTESA-N 2 2 318.421 0.924 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274617280 951745321 /nfs/dbraw/zinc/74/53/21/951745321.db2.gz WTVOQKLPRAZDPP-SJORKVTESA-N 2 2 318.421 0.924 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001275559266 952263645 /nfs/dbraw/zinc/26/36/45/952263645.db2.gz IVWYNQRVFXDFRQ-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001275559266 952263655 /nfs/dbraw/zinc/26/36/55/952263655.db2.gz IVWYNQRVFXDFRQ-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001275559266 952263661 /nfs/dbraw/zinc/26/36/61/952263661.db2.gz IVWYNQRVFXDFRQ-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001275559266 952263668 /nfs/dbraw/zinc/26/36/68/952263668.db2.gz IVWYNQRVFXDFRQ-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001341304833 953222797 /nfs/dbraw/zinc/22/27/97/953222797.db2.gz OYSWYLVQMPFVPF-KBPBESRZSA-N 2 2 320.437 0.841 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283110216 954021418 /nfs/dbraw/zinc/02/14/18/954021418.db2.gz AAOZFHQAEAMVSB-IHRRRGAJSA-N 2 2 319.409 0.058 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)C1 ZINC001347853815 954174910 /nfs/dbraw/zinc/17/49/10/954174910.db2.gz PAWUDYGJJFZSQS-OWCLPIDISA-N 2 2 321.469 0.018 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001284151133 954881479 /nfs/dbraw/zinc/88/14/79/954881479.db2.gz DQEOVNVZHUAWCP-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001284151133 954881492 /nfs/dbraw/zinc/88/14/92/954881492.db2.gz DQEOVNVZHUAWCP-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001284151133 954881510 /nfs/dbraw/zinc/88/15/10/954881510.db2.gz DQEOVNVZHUAWCP-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284150241 954881860 /nfs/dbraw/zinc/88/18/60/954881860.db2.gz ADXRZWUFVUWUQJ-ZBFHGGJFSA-N 2 2 318.421 0.810 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154371 954884235 /nfs/dbraw/zinc/88/42/35/954884235.db2.gz OASKUKDWTMEHSL-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154371 954884248 /nfs/dbraw/zinc/88/42/48/954884248.db2.gz OASKUKDWTMEHSL-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284219501 954936688 /nfs/dbraw/zinc/93/66/88/954936688.db2.gz JVYOZFRXKRGASL-OLZOCXBDSA-N 2 2 319.409 0.129 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001284425581 955082008 /nfs/dbraw/zinc/08/20/08/955082008.db2.gz RYXGOKRLJQIJBV-MGPQQGTHSA-N 2 2 306.410 0.888 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001284425581 955082021 /nfs/dbraw/zinc/08/20/21/955082021.db2.gz RYXGOKRLJQIJBV-MGPQQGTHSA-N 2 2 306.410 0.888 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001284501392 955134574 /nfs/dbraw/zinc/13/45/74/955134574.db2.gz CXMUBFAFDFDREH-ZFWWWQNUSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001284501392 955134578 /nfs/dbraw/zinc/13/45/78/955134578.db2.gz CXMUBFAFDFDREH-ZFWWWQNUSA-N 2 2 306.410 0.383 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001367596395 958144122 /nfs/dbraw/zinc/14/41/22/958144122.db2.gz FXBWYXWFWWGKPM-NWDGAFQWSA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001447202711 1013309732 /nfs/dbraw/zinc/30/97/32/1013309732.db2.gz SUVRQKJDNTZENH-GFCCVEGCSA-N 2 2 301.818 0.698 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001447202711 1013309738 /nfs/dbraw/zinc/30/97/38/1013309738.db2.gz SUVRQKJDNTZENH-GFCCVEGCSA-N 2 2 301.818 0.698 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001394774874 994135830 /nfs/dbraw/zinc/13/58/30/994135830.db2.gz FGCHDIRFTCQVBH-CYBMUJFWSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001394774874 994135834 /nfs/dbraw/zinc/13/58/34/994135834.db2.gz FGCHDIRFTCQVBH-CYBMUJFWSA-N 2 2 317.861 0.974 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)CO2 ZINC001502457681 1015933150 /nfs/dbraw/zinc/93/31/50/1015933150.db2.gz JAEXEWJKJRPPSR-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)CO2 ZINC001502457681 1015933156 /nfs/dbraw/zinc/93/31/56/1015933156.db2.gz JAEXEWJKJRPPSR-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001507210631 1016128406 /nfs/dbraw/zinc/12/84/06/1016128406.db2.gz CZWINGFZTRVVEI-NEPJUHHUSA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507239981 1016169311 /nfs/dbraw/zinc/16/93/11/1016169311.db2.gz PQYDNQVZXJOJDZ-IJLUTSLNSA-N 2 2 312.801 0.343 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001507293687 1016226855 /nfs/dbraw/zinc/22/68/55/1016226855.db2.gz VAEAPYWYSJTQIJ-QWHCGFSZSA-N 2 2 319.409 0.142 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001422197926 1009636918 /nfs/dbraw/zinc/63/69/18/1009636918.db2.gz NMBCQFLUBPYWOF-UHFFFAOYSA-N 2 2 303.834 0.634 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001479941915 1018014859 /nfs/dbraw/zinc/01/48/59/1018014859.db2.gz APKUYAGAAPNXNS-UHFFFAOYSA-N 2 2 320.481 0.620 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001480035088 1018144673 /nfs/dbraw/zinc/14/46/73/1018144673.db2.gz DAXIFVUJIZKPPL-HNNXBMFYSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CC2)CC1 ZINC001500033132 1018180192 /nfs/dbraw/zinc/18/01/92/1018180192.db2.gz SXBYEYOVRNYPKB-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CC2)CC1 ZINC001500033132 1018180202 /nfs/dbraw/zinc/18/02/02/1018180202.db2.gz SXBYEYOVRNYPKB-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001480212209 1018321416 /nfs/dbraw/zinc/32/14/16/1018321416.db2.gz RRSVHBKABAOQAU-SOUVJXGZSA-N 2 2 316.405 0.332 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001500247869 1018347253 /nfs/dbraw/zinc/34/72/53/1018347253.db2.gz GWAUCFCBCXTTMO-INIZCTEOSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001500247869 1018347269 /nfs/dbraw/zinc/34/72/69/1018347269.db2.gz GWAUCFCBCXTTMO-INIZCTEOSA-N 2 2 304.394 0.504 20 30 DCEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC)[NH+](C)C ZINC001493924069 1019819370 /nfs/dbraw/zinc/81/93/70/1019819370.db2.gz RBUWOKZWIIJPGU-XHSDSOJGSA-N 2 2 307.438 0.652 20 30 DCEDLP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC)[NH+](C)C ZINC001493924069 1019819380 /nfs/dbraw/zinc/81/93/80/1019819380.db2.gz RBUWOKZWIIJPGU-XHSDSOJGSA-N 2 2 307.438 0.652 20 30 DCEDLP CN1CC[NH+]=C1NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000262688392 529778876 /nfs/dbraw/zinc/77/88/76/529778876.db2.gz ZFXBRAVQAJUJOE-UHFFFAOYSA-N 2 2 318.421 0.789 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000491376213 241121531 /nfs/dbraw/zinc/12/15/31/241121531.db2.gz ZDMAVUINQGDMAZ-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC1 ZINC000491351434 241119635 /nfs/dbraw/zinc/11/96/35/241119635.db2.gz UHDUHYCUCQTFKV-MRXNPFEDSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC1 ZINC000491351434 241119639 /nfs/dbraw/zinc/11/96/39/241119639.db2.gz UHDUHYCUCQTFKV-MRXNPFEDSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000491351434 241119642 /nfs/dbraw/zinc/11/96/42/241119642.db2.gz UHDUHYCUCQTFKV-MRXNPFEDSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000491351434 241119646 /nfs/dbraw/zinc/11/96/46/241119646.db2.gz UHDUHYCUCQTFKV-MRXNPFEDSA-N 2 2 307.438 0.557 20 30 DCEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000568077258 291401713 /nfs/dbraw/zinc/40/17/13/291401713.db2.gz INKNANRIZRNXLB-LBPRGKRZSA-N 2 2 319.390 0.602 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091987329 395728603 /nfs/dbraw/zinc/72/86/03/395728603.db2.gz MPCVKTTXVHISIG-HNNXBMFYSA-N 2 2 300.406 0.852 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091987329 395728605 /nfs/dbraw/zinc/72/86/05/395728605.db2.gz MPCVKTTXVHISIG-HNNXBMFYSA-N 2 2 300.406 0.852 20 30 DCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598718939 397284032 /nfs/dbraw/zinc/28/40/32/397284032.db2.gz HTWYUVLUVXRYRB-CQSZACIVSA-N 2 2 310.442 0.429 20 30 DCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491202242 397500933 /nfs/dbraw/zinc/50/09/33/397500933.db2.gz NAAFPIGMGQLLFH-HZPDHXFCSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000491202242 397500937 /nfs/dbraw/zinc/50/09/37/397500937.db2.gz NAAFPIGMGQLLFH-HZPDHXFCSA-N 2 2 306.454 0.084 20 30 DCEDLP Cc1noc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000329133763 416152914 /nfs/dbraw/zinc/15/29/14/416152914.db2.gz ZEFNSQYGAJGIDK-UHFFFAOYSA-N 2 2 324.429 0.750 20 30 DCEDLP Cc1noc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000329133763 416152917 /nfs/dbraw/zinc/15/29/17/416152917.db2.gz ZEFNSQYGAJGIDK-UHFFFAOYSA-N 2 2 324.429 0.750 20 30 DCEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262451587 416336722 /nfs/dbraw/zinc/33/67/22/416336722.db2.gz JYQHVTWGIDPLLB-HIFRSBDPSA-N 2 2 320.441 0.115 20 30 DCEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262451587 416336723 /nfs/dbraw/zinc/33/67/23/416336723.db2.gz JYQHVTWGIDPLLB-HIFRSBDPSA-N 2 2 320.441 0.115 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350907 416418421 /nfs/dbraw/zinc/41/84/21/416418421.db2.gz IJXXRLNMPPXDOY-OLZOCXBDSA-N 2 2 311.451 0.903 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350907 416418423 /nfs/dbraw/zinc/41/84/23/416418423.db2.gz IJXXRLNMPPXDOY-OLZOCXBDSA-N 2 2 311.451 0.903 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000490839338 416577735 /nfs/dbraw/zinc/57/77/35/416577735.db2.gz IDXKGXKXYXKTDF-HNNXBMFYSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000490839338 416577738 /nfs/dbraw/zinc/57/77/38/416577738.db2.gz IDXKGXKXYXKTDF-HNNXBMFYSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)Cn2c(C)[nH+]c3c2CCCC3)CC1 ZINC000491679038 416615728 /nfs/dbraw/zinc/61/57/28/416615728.db2.gz WDBSAGHLQGNFKF-UHFFFAOYSA-N 2 2 300.406 0.848 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000491691156 416615858 /nfs/dbraw/zinc/61/58/58/416615858.db2.gz NZWAFFUTCXGRKB-INIZCTEOSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000491691156 416615861 /nfs/dbraw/zinc/61/58/61/416615861.db2.gz NZWAFFUTCXGRKB-INIZCTEOSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000491734603 416620757 /nfs/dbraw/zinc/62/07/57/416620757.db2.gz LLUVVFXZNMEHKR-IRXDYDNUSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000491728742 416620884 /nfs/dbraw/zinc/62/08/84/416620884.db2.gz HZMRDOHJGCEXGN-HNNXBMFYSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000491728742 416620888 /nfs/dbraw/zinc/62/08/88/416620888.db2.gz HZMRDOHJGCEXGN-HNNXBMFYSA-N 2 2 307.438 0.247 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424164343 416620991 /nfs/dbraw/zinc/62/09/91/416620991.db2.gz CCZUAXONLFVYMG-STQMWFEESA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424164343 416620993 /nfs/dbraw/zinc/62/09/93/416620993.db2.gz CCZUAXONLFVYMG-STQMWFEESA-N 2 2 310.398 0.103 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000491806158 416630000 /nfs/dbraw/zinc/63/00/00/416630000.db2.gz QMFXMCNGCRVHIL-INIZCTEOSA-N 2 2 315.421 0.216 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000491806158 416630006 /nfs/dbraw/zinc/63/00/06/416630006.db2.gz QMFXMCNGCRVHIL-INIZCTEOSA-N 2 2 315.421 0.216 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)CC1 ZINC000376188922 417024346 /nfs/dbraw/zinc/02/43/46/417024346.db2.gz ROPOYNGJVKVKRO-NVXWUHKLSA-N 2 2 319.449 0.653 20 30 DCEDLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418607865 262284025 /nfs/dbraw/zinc/28/40/25/262284025.db2.gz CGOATUGSSMSGLO-ZDUSSCGKSA-N 2 2 301.394 0.733 20 30 DCEDLP N#Cc1cnn2cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cnc12 ZINC000551220215 288225142 /nfs/dbraw/zinc/22/51/42/288225142.db2.gz KDEVZUCOIBOGMA-AWEZNQCLSA-N 2 2 300.366 0.147 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@]2(CCOC2)C1 ZINC000262006767 526388930 /nfs/dbraw/zinc/38/89/30/526388930.db2.gz VTNDXUKEWZFNIO-MRXNPFEDSA-N 2 2 320.441 0.674 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000171711921 526438930 /nfs/dbraw/zinc/43/89/30/526438930.db2.gz CKJFEMCGIMXXBR-CQSZACIVSA-N 2 2 310.442 0.657 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000373487038 526724833 /nfs/dbraw/zinc/72/48/33/526724833.db2.gz USDQTOHMATUBSF-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000373487038 526724838 /nfs/dbraw/zinc/72/48/38/526724838.db2.gz USDQTOHMATUBSF-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372330898 527028570 /nfs/dbraw/zinc/02/85/70/527028570.db2.gz IHGIMLOVRPEYDY-PMPSAXMXSA-N 2 2 306.454 0.082 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372330898 527028579 /nfs/dbraw/zinc/02/85/79/527028579.db2.gz IHGIMLOVRPEYDY-PMPSAXMXSA-N 2 2 306.454 0.082 20 30 DCEDLP C#CCSCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363554616 527146188 /nfs/dbraw/zinc/14/61/88/527146188.db2.gz JCTFWUCHKBLPPO-AWEZNQCLSA-N 2 2 324.494 0.821 20 30 DCEDLP C#CCSCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363554616 527146191 /nfs/dbraw/zinc/14/61/91/527146191.db2.gz JCTFWUCHKBLPPO-AWEZNQCLSA-N 2 2 324.494 0.821 20 30 DCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454778 660945644 /nfs/dbraw/zinc/94/56/44/660945644.db2.gz YZURQBBRNUHCEV-CVEARBPZSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023448912 657876667 /nfs/dbraw/zinc/87/66/67/657876667.db2.gz BEIZIOPLGNONCS-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000969465536 657910207 /nfs/dbraw/zinc/91/02/07/657910207.db2.gz NUDCEANBNZQNTR-CVEARBPZSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000969465536 657910216 /nfs/dbraw/zinc/91/02/16/657910216.db2.gz NUDCEANBNZQNTR-CVEARBPZSA-N 2 2 307.438 0.864 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1184432400 /nfs/dbraw/zinc/43/24/00/1184432400.db2.gz OMOWRYUYJNOSLX-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724416995 1184436148 /nfs/dbraw/zinc/43/61/48/1184436148.db2.gz NCCUWWLVTJYDMN-IOASZLSFSA-N 2 2 304.394 0.263 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724416995 1184436152 /nfs/dbraw/zinc/43/61/52/1184436152.db2.gz NCCUWWLVTJYDMN-IOASZLSFSA-N 2 2 304.394 0.263 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001724830506 1184580445 /nfs/dbraw/zinc/58/04/45/1184580445.db2.gz IKUBZJIDXVVHKA-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001725172663 1184706084 /nfs/dbraw/zinc/70/60/84/1184706084.db2.gz WMPHFWROIZOAMW-AWEZNQCLSA-N 2 2 306.410 0.439 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001725172663 1184706086 /nfs/dbraw/zinc/70/60/86/1184706086.db2.gz WMPHFWROIZOAMW-AWEZNQCLSA-N 2 2 306.410 0.439 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001725172665 1184706897 /nfs/dbraw/zinc/70/68/97/1184706897.db2.gz WMPHFWROIZOAMW-CQSZACIVSA-N 2 2 306.410 0.439 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001725172665 1184706902 /nfs/dbraw/zinc/70/69/02/1184706902.db2.gz WMPHFWROIZOAMW-CQSZACIVSA-N 2 2 306.410 0.439 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001725198624 1184720325 /nfs/dbraw/zinc/72/03/25/1184720325.db2.gz ZOZIXPMBIZZHSL-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001725198624 1184720331 /nfs/dbraw/zinc/72/03/31/1184720331.db2.gz ZOZIXPMBIZZHSL-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001725198624 1184720336 /nfs/dbraw/zinc/72/03/36/1184720336.db2.gz ZOZIXPMBIZZHSL-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001725198624 1184720344 /nfs/dbraw/zinc/72/03/44/1184720344.db2.gz ZOZIXPMBIZZHSL-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001732583706 1185861274 /nfs/dbraw/zinc/86/12/74/1185861274.db2.gz FNWOFOIHFASWSO-HUUCEWRRSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001732583706 1185861281 /nfs/dbraw/zinc/86/12/81/1185861281.db2.gz FNWOFOIHFASWSO-HUUCEWRRSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732583706 1185861287 /nfs/dbraw/zinc/86/12/87/1185861287.db2.gz FNWOFOIHFASWSO-HUUCEWRRSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001732583706 1185861294 /nfs/dbraw/zinc/86/12/94/1185861294.db2.gz FNWOFOIHFASWSO-HUUCEWRRSA-N 2 2 324.469 0.552 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nccs1 ZINC001732957670 1186081187 /nfs/dbraw/zinc/08/11/87/1186081187.db2.gz BJEJSDBSVDDNSZ-OLZOCXBDSA-N 2 2 306.435 0.835 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nccs1 ZINC001732957670 1186081190 /nfs/dbraw/zinc/08/11/90/1186081190.db2.gz BJEJSDBSVDDNSZ-OLZOCXBDSA-N 2 2 306.435 0.835 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nncs2)CC1 ZINC001733028245 1186109055 /nfs/dbraw/zinc/10/90/55/1186109055.db2.gz UCSZBFWGQPCWHB-LBPRGKRZSA-N 2 2 321.450 0.478 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001733819711 1186461227 /nfs/dbraw/zinc/46/12/27/1186461227.db2.gz WDFAHAYEQOJYMP-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001733950159 1186506339 /nfs/dbraw/zinc/50/63/39/1186506339.db2.gz JODWYZIVOZGGQL-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001734153395 1186562748 /nfs/dbraw/zinc/56/27/48/1186562748.db2.gz HDIUCZZSLHYRJU-AWEZNQCLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001734153395 1186562750 /nfs/dbraw/zinc/56/27/50/1186562750.db2.gz HDIUCZZSLHYRJU-AWEZNQCLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001734186086 1186573500 /nfs/dbraw/zinc/57/35/00/1186573500.db2.gz ZWWFDEKYMIECEG-HIFRSBDPSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCCC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001752382119 1188420447 /nfs/dbraw/zinc/42/04/47/1188420447.db2.gz RYKMBDMQMBQYDQ-UHFFFAOYSA-N 2 2 305.426 0.583 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001753640194 1188628631 /nfs/dbraw/zinc/62/86/31/1188628631.db2.gz QLBOSUIOTRHKNI-RDJZCZTQSA-N 2 2 321.465 0.995 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001753640194 1188628634 /nfs/dbraw/zinc/62/86/34/1188628634.db2.gz QLBOSUIOTRHKNI-RDJZCZTQSA-N 2 2 321.465 0.995 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001754544637 1188877855 /nfs/dbraw/zinc/87/78/55/1188877855.db2.gz YANDADBNNLXUSV-CVEARBPZSA-N 2 2 316.405 0.667 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001754544637 1188877857 /nfs/dbraw/zinc/87/78/57/1188877857.db2.gz YANDADBNNLXUSV-CVEARBPZSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)O2 ZINC001755054743 1189007387 /nfs/dbraw/zinc/00/73/87/1189007387.db2.gz UJZQJKFGVKPDGG-HNNXBMFYSA-N 2 2 316.405 0.564 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001755099695 1189023070 /nfs/dbraw/zinc/02/30/70/1189023070.db2.gz OCIQGHWGJNMFPZ-UHFFFAOYSA-N 2 2 304.394 0.539 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001755481077 1189123643 /nfs/dbraw/zinc/12/36/43/1189123643.db2.gz CAOQUKIFWPWOIG-HDJSIYSDSA-N 2 2 304.394 0.097 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001578525133 1165042704 /nfs/dbraw/zinc/04/27/04/1165042704.db2.gz RSMHNBDXOWRZEA-OAHLLOKOSA-N 3 2 309.458 0.492 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001578525133 1165042706 /nfs/dbraw/zinc/04/27/06/1165042706.db2.gz RSMHNBDXOWRZEA-OAHLLOKOSA-N 3 2 309.458 0.492 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089623407 751490727 /nfs/dbraw/zinc/49/07/27/751490727.db2.gz BNOVAOBKBCEBEN-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089623407 751490733 /nfs/dbraw/zinc/49/07/33/751490733.db2.gz BNOVAOBKBCEBEN-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623407 751490740 /nfs/dbraw/zinc/49/07/40/751490740.db2.gz BNOVAOBKBCEBEN-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623407 751490741 /nfs/dbraw/zinc/49/07/41/751490741.db2.gz BNOVAOBKBCEBEN-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC[NH+](C)C)nn2)C1 ZINC001107202768 751946937 /nfs/dbraw/zinc/94/69/37/751946937.db2.gz WWVZMWXMWUMUCY-UHFFFAOYSA-N 2 2 306.414 0.279 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280822 750314212 /nfs/dbraw/zinc/31/42/12/750314212.db2.gz MXYWTPNHRHBVQV-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280822 750314216 /nfs/dbraw/zinc/31/42/16/750314216.db2.gz MXYWTPNHRHBVQV-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280822 750314223 /nfs/dbraw/zinc/31/42/23/750314223.db2.gz MXYWTPNHRHBVQV-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001077280822 750314230 /nfs/dbraw/zinc/31/42/30/750314230.db2.gz MXYWTPNHRHBVQV-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704771 751238500 /nfs/dbraw/zinc/23/85/00/751238500.db2.gz CBOOEHUIPKTPDY-ZIAGYGMSSA-N 2 2 304.394 0.286 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952511 752592594 /nfs/dbraw/zinc/59/25/94/752592594.db2.gz FBAPKJHARFUZGM-BFYDXBDKSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952511 752592600 /nfs/dbraw/zinc/59/26/00/752592600.db2.gz FBAPKJHARFUZGM-BFYDXBDKSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107952511 752592605 /nfs/dbraw/zinc/59/26/05/752592605.db2.gz FBAPKJHARFUZGM-BFYDXBDKSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952511 752592612 /nfs/dbraw/zinc/59/26/12/752592612.db2.gz FBAPKJHARFUZGM-BFYDXBDKSA-N 2 2 307.438 0.557 20 30 DCEDLP C[NH+](C)[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046035589 753439311 /nfs/dbraw/zinc/43/93/11/753439311.db2.gz QCKQBKUJZJBTDJ-HOTGVXAUSA-N 2 2 319.453 0.069 20 30 DCEDLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046057939 753453910 /nfs/dbraw/zinc/45/39/10/753453910.db2.gz AENMGYQRICKZRP-INIZCTEOSA-N 2 2 319.453 0.070 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073330 753464893 /nfs/dbraw/zinc/46/48/93/753464893.db2.gz BQCAUZUAKBHLPJ-OAHLLOKOSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073330 753464897 /nfs/dbraw/zinc/46/48/97/753464897.db2.gz BQCAUZUAKBHLPJ-OAHLLOKOSA-N 2 2 315.421 0.194 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088351 753475443 /nfs/dbraw/zinc/47/54/43/753475443.db2.gz LQRCDSVAVJKGBG-INIZCTEOSA-N 2 2 315.421 0.125 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088351 753475451 /nfs/dbraw/zinc/47/54/51/753475451.db2.gz LQRCDSVAVJKGBG-INIZCTEOSA-N 2 2 315.421 0.125 20 30 DCEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047524567 754356944 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DWZOCBQGJGWFIP-QLFBSQMISA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001197158849 773707057 /nfs/dbraw/zinc/70/70/57/773707057.db2.gz XDTOTVRCVCZZGP-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001197158849 773707060 /nfs/dbraw/zinc/70/70/60/773707060.db2.gz XDTOTVRCVCZZGP-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158849 773707061 /nfs/dbraw/zinc/70/70/61/773707061.db2.gz XDTOTVRCVCZZGP-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001197158849 773707064 /nfs/dbraw/zinc/70/70/64/773707064.db2.gz XDTOTVRCVCZZGP-GJZGRUSLSA-N 2 2 322.453 0.021 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2nc(C)no2)CC1 ZINC001152330822 773730879 /nfs/dbraw/zinc/73/08/79/773730879.db2.gz WIEKFMKKTHXGGD-LBPRGKRZSA-N 2 2 319.409 0.490 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812067 774016064 /nfs/dbraw/zinc/01/60/64/774016064.db2.gz QCSOERJAQVMDMF-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812067 774016068 /nfs/dbraw/zinc/01/60/68/774016068.db2.gz QCSOERJAQVMDMF-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214988004 774031079 /nfs/dbraw/zinc/03/10/79/774031079.db2.gz FHQVXRIGOPWKSY-IJEWVQPXSA-N 2 2 300.406 0.905 20 30 DCEDLP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(C[C@H]([NH3+])C(N)=O)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001218329311 774220851 /nfs/dbraw/zinc/22/08/51/774220851.db2.gz VGCXGHSYSFSICM-WGGGBPLMSA-N 2 2 317.389 0.033 20 30 DCEDLP C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(C[C@H]([NH3+])C(N)=O)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001218329311 774220855 /nfs/dbraw/zinc/22/08/55/774220855.db2.gz VGCXGHSYSFSICM-WGGGBPLMSA-N 2 2 317.389 0.033 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201125377 774458471 /nfs/dbraw/zinc/45/84/71/774458471.db2.gz UCPNHTAVMRUZLI-HUUCEWRRSA-N 2 2 316.405 0.744 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201125377 774458472 /nfs/dbraw/zinc/45/84/72/774458472.db2.gz UCPNHTAVMRUZLI-HUUCEWRRSA-N 2 2 316.405 0.744 20 30 DCEDLP C=C[C@@H]1C[C@]1(NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)OCC ZINC001220573266 774849092 /nfs/dbraw/zinc/84/90/92/774849092.db2.gz JOVBNYYAFJZSGD-JKIFEVAISA-N 2 2 317.389 0.883 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114608027 775966542 /nfs/dbraw/zinc/96/65/42/775966542.db2.gz RTJYYTWIRPFMOA-HALDLXJZSA-N 2 2 318.421 0.602 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114608027 775966554 /nfs/dbraw/zinc/96/65/54/775966554.db2.gz RTJYYTWIRPFMOA-HALDLXJZSA-N 2 2 318.421 0.602 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001266325341 939075032 /nfs/dbraw/zinc/07/50/32/939075032.db2.gz MDTZOEFWYRRGLI-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001266325341 939075035 /nfs/dbraw/zinc/07/50/35/939075035.db2.gz MDTZOEFWYRRGLI-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC001266325341 939075037 /nfs/dbraw/zinc/07/50/37/939075037.db2.gz MDTZOEFWYRRGLI-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC001266325341 939075040 /nfs/dbraw/zinc/07/50/40/939075040.db2.gz MDTZOEFWYRRGLI-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001480891182 939254810 /nfs/dbraw/zinc/25/48/10/939254810.db2.gz KKTWJLHDYFCCLF-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001480891182 939254812 /nfs/dbraw/zinc/25/48/12/939254812.db2.gz KKTWJLHDYFCCLF-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267148534 939358795 /nfs/dbraw/zinc/35/87/95/939358795.db2.gz LDNKHYHZSBZZCF-KGLIPLIRSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267148534 939358800 /nfs/dbraw/zinc/35/88/00/939358800.db2.gz LDNKHYHZSBZZCF-KGLIPLIRSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267148535 939359178 /nfs/dbraw/zinc/35/91/78/939359178.db2.gz LDNKHYHZSBZZCF-UONOGXRCSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267148535 939359181 /nfs/dbraw/zinc/35/91/81/939359181.db2.gz LDNKHYHZSBZZCF-UONOGXRCSA-N 2 2 306.410 0.723 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304886 939421047 /nfs/dbraw/zinc/42/10/47/939421047.db2.gz NBXHSWPNYASMPL-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304886 939421048 /nfs/dbraw/zinc/42/10/48/939421048.db2.gz NBXHSWPNYASMPL-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCN(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001267573164 939518504 /nfs/dbraw/zinc/51/85/04/939518504.db2.gz LZYORTCQMDIEBR-UHFFFAOYSA-N 2 2 319.453 0.925 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001481046168 939540404 /nfs/dbraw/zinc/54/04/04/939540404.db2.gz SYKYTRVPBHCDCJ-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001481046168 939540406 /nfs/dbraw/zinc/54/04/06/939540406.db2.gz SYKYTRVPBHCDCJ-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001481046168 939540407 /nfs/dbraw/zinc/54/04/07/939540407.db2.gz SYKYTRVPBHCDCJ-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001481046168 939540409 /nfs/dbraw/zinc/54/04/09/939540409.db2.gz SYKYTRVPBHCDCJ-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267682927 939624662 /nfs/dbraw/zinc/62/46/62/939624662.db2.gz FFTDTMWYTAVCPC-UHFFFAOYSA-N 2 2 300.406 0.833 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267689289 939626458 /nfs/dbraw/zinc/62/64/58/939626458.db2.gz CXFRAGNGNZFBEL-RBSFLKMASA-N 2 2 300.406 0.937 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267689289 939626460 /nfs/dbraw/zinc/62/64/60/939626460.db2.gz CXFRAGNGNZFBEL-RBSFLKMASA-N 2 2 300.406 0.937 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001268552815 940233087 /nfs/dbraw/zinc/23/30/87/940233087.db2.gz PXJGBXLANBKUSX-JZIMQPMSSA-N 2 2 313.405 0.336 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001268552815 940233091 /nfs/dbraw/zinc/23/30/91/940233091.db2.gz PXJGBXLANBKUSX-JZIMQPMSSA-N 2 2 313.405 0.336 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097039 940618089 /nfs/dbraw/zinc/61/80/89/940618089.db2.gz NLJVRUCSMVKGNO-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097039 940618090 /nfs/dbraw/zinc/61/80/90/940618090.db2.gz NLJVRUCSMVKGNO-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccon1 ZINC001482296163 940921045 /nfs/dbraw/zinc/92/10/45/940921045.db2.gz IAOZEIZCMNPPJD-HIFRSBDPSA-N 2 2 304.394 0.709 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccon1 ZINC001482296163 940921047 /nfs/dbraw/zinc/92/10/47/940921047.db2.gz IAOZEIZCMNPPJD-HIFRSBDPSA-N 2 2 304.394 0.709 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482375221 941028175 /nfs/dbraw/zinc/02/81/75/941028175.db2.gz QEUGLPJEHZCUQG-CHWSQXEVSA-N 2 2 307.398 0.010 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001271973595 941496632 /nfs/dbraw/zinc/49/66/32/941496632.db2.gz LXEKMKXHLRYYNE-MRXNPFEDSA-N 2 2 304.394 0.158 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001482664070 941614458 /nfs/dbraw/zinc/61/44/58/941614458.db2.gz DBOQWVABSKUHJQ-HUUCEWRRSA-N 2 2 316.405 0.525 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001482664070 941614459 /nfs/dbraw/zinc/61/44/59/941614459.db2.gz DBOQWVABSKUHJQ-HUUCEWRRSA-N 2 2 316.405 0.525 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482744268 941653625 /nfs/dbraw/zinc/65/36/25/941653625.db2.gz RYASLRDIFFDNQR-DZGCQCFKSA-N 2 2 306.410 0.478 20 30 DCEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272195806 941792518 /nfs/dbraw/zinc/79/25/18/941792518.db2.gz HHQKYEKDIPENFI-HNNXBMFYSA-N 2 2 320.437 0.822 20 30 DCEDLP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001272590000 942853247 /nfs/dbraw/zinc/85/32/47/942853247.db2.gz DMHVOBBOJGPWTB-MRXNPFEDSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484222102 943216930 /nfs/dbraw/zinc/21/69/30/943216930.db2.gz BCEWXLKQDYHEGG-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484222102 943216933 /nfs/dbraw/zinc/21/69/33/943216933.db2.gz BCEWXLKQDYHEGG-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484226064 943221543 /nfs/dbraw/zinc/22/15/43/943221543.db2.gz WVMZURGQDBVFGD-UKRRQHHQSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484226064 943221548 /nfs/dbraw/zinc/22/15/48/943221548.db2.gz WVMZURGQDBVFGD-UKRRQHHQSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001484226064 943221556 /nfs/dbraw/zinc/22/15/56/943221556.db2.gz WVMZURGQDBVFGD-UKRRQHHQSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001484226064 943221566 /nfs/dbraw/zinc/22/15/66/943221566.db2.gz WVMZURGQDBVFGD-UKRRQHHQSA-N 2 2 315.845 0.776 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001484867181 943611573 /nfs/dbraw/zinc/61/15/73/943611573.db2.gz VBPTWGYDMIKMIV-UHFFFAOYSA-N 2 2 318.421 0.631 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001491263971 943878585 /nfs/dbraw/zinc/87/85/85/943878585.db2.gz FHTZZNMXITWQFY-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593722 944227029 /nfs/dbraw/zinc/22/70/29/944227029.db2.gz OUMBXEPETBQZLK-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593722 944227033 /nfs/dbraw/zinc/22/70/33/944227033.db2.gz OUMBXEPETBQZLK-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593722 944227036 /nfs/dbraw/zinc/22/70/36/944227036.db2.gz OUMBXEPETBQZLK-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001276593722 944227041 /nfs/dbraw/zinc/22/70/41/944227041.db2.gz OUMBXEPETBQZLK-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001276819005 944313589 /nfs/dbraw/zinc/31/35/89/944313589.db2.gz CBMUKINLUFALSE-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001319309253 945551116 /nfs/dbraw/zinc/55/11/16/945551116.db2.gz POVGIESJMQPOJU-KBPBESRZSA-N 2 2 301.406 0.669 20 30 DCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001319309253 945551122 /nfs/dbraw/zinc/55/11/22/945551122.db2.gz POVGIESJMQPOJU-KBPBESRZSA-N 2 2 301.406 0.669 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319487484 945602417 /nfs/dbraw/zinc/60/24/17/945602417.db2.gz XRGRKBGKQDKMQY-CYBMUJFWSA-N 2 2 322.409 0.436 20 30 DCEDLP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001251896712 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30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001328540558 948952997 /nfs/dbraw/zinc/95/29/97/948952997.db2.gz AFQJJONEGVEKQB-UHFFFAOYSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001488806531 949202850 /nfs/dbraw/zinc/20/28/50/949202850.db2.gz XKLWDBHOBFNQGX-MCIONIFRSA-N 2 2 319.409 0.058 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265291938 949560430 /nfs/dbraw/zinc/56/04/30/949560430.db2.gz BXXOAPVFQMEGSF-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265291938 949560438 /nfs/dbraw/zinc/56/04/38/949560438.db2.gz BXXOAPVFQMEGSF-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265291938 949560451 /nfs/dbraw/zinc/56/04/51/949560451.db2.gz BXXOAPVFQMEGSF-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001265291938 949560463 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DCEDLP COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001265408570 949663407 /nfs/dbraw/zinc/66/34/07/949663407.db2.gz NBNXKCLSJKZMNI-BBWFWOEESA-N 2 2 321.465 0.898 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001265408570 949663416 /nfs/dbraw/zinc/66/34/16/949663416.db2.gz NBNXKCLSJKZMNI-BBWFWOEESA-N 2 2 321.465 0.898 20 30 DCEDLP COCC#CC[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001265740796 949915070 /nfs/dbraw/zinc/91/50/70/949915070.db2.gz QBMXRUQHZJBHMC-UHFFFAOYSA-N 2 2 304.394 0.619 20 30 DCEDLP C=CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265881502 950081304 /nfs/dbraw/zinc/08/13/04/950081304.db2.gz KQRONZQXROVUKV-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP C[NH+](C)CCN1C[C@@]2(F)C[N@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274044128 951354994 /nfs/dbraw/zinc/35/49/94/951354994.db2.gz YHDDMHJDPOLPAF-LSDHHAIUSA-N 2 2 314.380 0.816 20 30 DCEDLP C[NH+](C)CCN1C[C@@]2(F)C[N@@H+](CCCCC#N)C[C@@]2(F)C1=O ZINC001274044128 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314.311 0.743 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001340221401 953154938 /nfs/dbraw/zinc/15/49/38/953154938.db2.gz DDZIWCVPACEDPB-HOCLYGCPSA-N 3 2 308.470 0.955 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340221401 953154939 /nfs/dbraw/zinc/15/49/39/953154939.db2.gz DDZIWCVPACEDPB-HOCLYGCPSA-N 3 2 308.470 0.955 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001281887464 953405331 /nfs/dbraw/zinc/40/53/31/953405331.db2.gz FHTZZNMXITWQFY-AWEZNQCLSA-N 2 2 319.409 0.225 20 30 DCEDLP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001282345983 953553692 /nfs/dbraw/zinc/55/36/92/953553692.db2.gz FRVPXFRCGVOHKM-UHFFFAOYSA-N 2 2 306.410 0.607 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001282745138 953668337 /nfs/dbraw/zinc/66/83/37/953668337.db2.gz USYFKNFONNDFOG-KBPBESRZSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001282745138 953668342 /nfs/dbraw/zinc/66/83/42/953668342.db2.gz USYFKNFONNDFOG-KBPBESRZSA-N 2 2 322.453 0.067 20 30 DCEDLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccc(C#N)cc1 ZINC001366524417 954337363 /nfs/dbraw/zinc/33/73/63/954337363.db2.gz YIFJCZBKZJOHJI-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccc(C#N)cc1 ZINC001366524417 954337378 /nfs/dbraw/zinc/33/73/78/954337378.db2.gz YIFJCZBKZJOHJI-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccc(C#N)cc1 ZINC001366524417 954337392 /nfs/dbraw/zinc/33/73/92/954337392.db2.gz YIFJCZBKZJOHJI-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccc(C#N)cc1 ZINC001366524417 954337402 /nfs/dbraw/zinc/33/74/02/954337402.db2.gz YIFJCZBKZJOHJI-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001284415793 955072633 /nfs/dbraw/zinc/07/26/33/955072633.db2.gz DZQXTSKFHNSOKR-HNNXBMFYSA-N 2 2 318.421 0.194 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCc2coc(C[NH+](C)C)n2)CC1 ZINC001350750591 955180847 /nfs/dbraw/zinc/18/08/47/955180847.db2.gz OCWACCFDWRHSST-UHFFFAOYSA-N 2 2 304.394 0.698 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480117234 955513333 /nfs/dbraw/zinc/51/33/33/955513333.db2.gz IWFZCOMXKUKGBI-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001491748074 959176032 /nfs/dbraw/zinc/17/60/32/959176032.db2.gz VWWXMIHRDKAKMZ-RDJZCZTQSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001491748074 959176037 /nfs/dbraw/zinc/17/60/37/959176037.db2.gz VWWXMIHRDKAKMZ-RDJZCZTQSA-N 2 2 319.449 0.844 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001492047181 959525561 /nfs/dbraw/zinc/52/55/61/959525561.db2.gz NIJJFEOWJFJRLQ-CABCVRRESA-N 2 2 318.421 0.580 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393260886 992801108 /nfs/dbraw/zinc/80/11/08/992801108.db2.gz IOBZIPYNERZIIY-TZMCWYRMSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393260886 992801110 /nfs/dbraw/zinc/80/11/10/992801110.db2.gz IOBZIPYNERZIIY-TZMCWYRMSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001393260886 992801118 /nfs/dbraw/zinc/80/11/18/992801118.db2.gz IOBZIPYNERZIIY-TZMCWYRMSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001393260886 992801122 /nfs/dbraw/zinc/80/11/22/992801122.db2.gz IOBZIPYNERZIIY-TZMCWYRMSA-N 2 2 301.818 0.386 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001505532403 1016289634 /nfs/dbraw/zinc/28/96/34/1016289634.db2.gz BOCYCCMPCDKTJM-UHFFFAOYSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)CCOC ZINC001508049693 1016632114 /nfs/dbraw/zinc/63/21/14/1016632114.db2.gz JLBWQGOHVJSPIK-HNNXBMFYSA-N 2 2 318.421 0.452 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)CCOC ZINC001508049693 1016632121 /nfs/dbraw/zinc/63/21/21/1016632121.db2.gz JLBWQGOHVJSPIK-HNNXBMFYSA-N 2 2 318.421 0.452 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001439026803 1006380283 /nfs/dbraw/zinc/38/02/83/1006380283.db2.gz OCEMWANPZGLYRC-VXGBXAGGSA-N 2 2 300.790 0.653 20 30 DCEDLP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001506887318 1017641809 /nfs/dbraw/zinc/64/18/09/1017641809.db2.gz JTPMDOCLJYHUDX-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP N#CCN1CC[NH+](CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001479934660 1018001564 /nfs/dbraw/zinc/00/15/64/1018001564.db2.gz YJSHANIHLDVZMG-UHFFFAOYSA-N 2 2 319.453 0.120 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001499838719 1018098755 /nfs/dbraw/zinc/09/87/55/1018098755.db2.gz DWGRZYKANCZJEB-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC001499838720 1018100174 /nfs/dbraw/zinc/10/01/74/1018100174.db2.gz DWGRZYKANCZJEB-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP CC[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC#CCOC ZINC001495012584 1018233952 /nfs/dbraw/zinc/23/39/52/1018233952.db2.gz NMLBZCWRVTWOSE-CABCVRRESA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001500572215 1018496382 /nfs/dbraw/zinc/49/63/82/1018496382.db2.gz INMBFVNGBRWJHF-CHWSQXEVSA-N 2 2 302.378 0.401 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001500572215 1018496386 /nfs/dbraw/zinc/49/63/86/1018496386.db2.gz INMBFVNGBRWJHF-CHWSQXEVSA-N 2 2 302.378 0.401 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001501364183 1019099714 /nfs/dbraw/zinc/09/97/14/1019099714.db2.gz KLUXNRQSRJTPIS-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001501364183 1019099729 /nfs/dbraw/zinc/09/97/29/1019099729.db2.gz KLUXNRQSRJTPIS-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001493405341 1019400609 /nfs/dbraw/zinc/40/06/09/1019400609.db2.gz WFDYYWJRMACTEH-KRWDZBQOSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001493405341 1019400617 /nfs/dbraw/zinc/40/06/17/1019400617.db2.gz WFDYYWJRMACTEH-KRWDZBQOSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001493405341 1019400621 /nfs/dbraw/zinc/40/06/21/1019400621.db2.gz WFDYYWJRMACTEH-KRWDZBQOSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001493405341 1019400626 /nfs/dbraw/zinc/40/06/26/1019400626.db2.gz WFDYYWJRMACTEH-KRWDZBQOSA-N 2 2 319.449 0.844 20 30 DCEDLP C[NH+]1CCC(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000360097325 530047782 /nfs/dbraw/zinc/04/77/82/530047782.db2.gz JPENTUSIPMCYPT-UHFFFAOYSA-N 2 2 308.426 0.403 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)CC1 ZINC000491209905 241109354 /nfs/dbraw/zinc/10/93/54/241109354.db2.gz NLXJKPWTJQGMMP-MRXNPFEDSA-N 2 2 307.438 0.151 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(Cc2cc(OC)cc(C)[nH+]2)CC1 ZINC000491209785 241110162 /nfs/dbraw/zinc/11/01/62/241110162.db2.gz LSWGXSBJCXBGDJ-UHFFFAOYSA-N 2 2 316.405 0.266 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000491253114 241112221 /nfs/dbraw/zinc/11/22/21/241112221.db2.gz LWNFLANGIBLKHJ-SJLPKXTDSA-N 2 2 319.449 0.151 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266937910 533174323 /nfs/dbraw/zinc/17/43/23/533174323.db2.gz QIDVKNURIYOFPV-ZDUSSCGKSA-N 2 2 304.398 0.303 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC(CO)CC2)CC1 ZINC000089923920 395716269 /nfs/dbraw/zinc/71/62/69/395716269.db2.gz UDYPQXMZAPVERR-UHFFFAOYSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC(CO)CC2)CC1 ZINC000089923920 395716271 /nfs/dbraw/zinc/71/62/71/395716271.db2.gz UDYPQXMZAPVERR-UHFFFAOYSA-N 2 2 307.438 0.247 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000051762702 395854342 /nfs/dbraw/zinc/85/43/42/395854342.db2.gz AFUNKKSIMVVGMW-UHFFFAOYSA-N 2 2 316.405 0.643 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000178298859 396193004 /nfs/dbraw/zinc/19/30/04/396193004.db2.gz NPUOQMVJFGERPR-MRXNPFEDSA-N 2 2 316.405 0.297 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000591350896 396905762 /nfs/dbraw/zinc/90/57/62/396905762.db2.gz MGLDYXZBOFCPGS-CYBMUJFWSA-N 2 2 305.357 0.482 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000591350896 396905766 /nfs/dbraw/zinc/90/57/66/396905766.db2.gz MGLDYXZBOFCPGS-CYBMUJFWSA-N 2 2 305.357 0.482 20 30 DCEDLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223554 397148139 /nfs/dbraw/zinc/14/81/39/397148139.db2.gz HOAWBFCOOGOVPE-WFASDCNBSA-N 2 2 301.394 0.904 20 30 DCEDLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223554 397148144 /nfs/dbraw/zinc/14/81/44/397148144.db2.gz HOAWBFCOOGOVPE-WFASDCNBSA-N 2 2 301.394 0.904 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390092541 397300225 /nfs/dbraw/zinc/30/02/25/397300225.db2.gz FJWRVOYCQWPAIO-HZPDHXFCSA-N 2 2 318.421 0.133 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390092541 397300230 /nfs/dbraw/zinc/30/02/30/397300230.db2.gz FJWRVOYCQWPAIO-HZPDHXFCSA-N 2 2 318.421 0.133 20 30 DCEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000598597842 397255885 /nfs/dbraw/zinc/25/58/85/397255885.db2.gz UTZYOGKOMNQXGU-CABCVRRESA-N 2 2 322.453 0.701 20 30 DCEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000598597842 397255888 /nfs/dbraw/zinc/25/58/88/397255888.db2.gz UTZYOGKOMNQXGU-CABCVRRESA-N 2 2 322.453 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)CC1 ZINC000491148209 397499788 /nfs/dbraw/zinc/49/97/88/397499788.db2.gz VAXVLBUXAYRRAM-OAHLLOKOSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]([C@H](C)CO)C2CCCC2)CC1 ZINC000491148209 397499790 /nfs/dbraw/zinc/49/97/90/397499790.db2.gz VAXVLBUXAYRRAM-OAHLLOKOSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+](CC#C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076185650 415453285 /nfs/dbraw/zinc/45/32/85/415453285.db2.gz FRRZTYBGNMMWSG-UHFFFAOYSA-N 2 2 310.401 0.689 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754409 415683245 /nfs/dbraw/zinc/68/32/45/415683245.db2.gz XAUDSVVCCPGVHQ-HOTGVXAUSA-N 2 2 306.454 0.226 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754409 415683248 /nfs/dbraw/zinc/68/32/48/415683248.db2.gz XAUDSVVCCPGVHQ-HOTGVXAUSA-N 2 2 306.454 0.226 20 30 DCEDLP C=CCCOCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000122719855 415835090 /nfs/dbraw/zinc/83/50/90/415835090.db2.gz XBEJVNUMHMESIF-UHFFFAOYSA-N 2 2 312.458 0.904 20 30 DCEDLP CCCCNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000303901132 416103564 /nfs/dbraw/zinc/10/35/64/416103564.db2.gz XEMZZBVBYJXPKY-AWEZNQCLSA-N 2 2 300.472 0.899 20 30 DCEDLP C[NH+]=C(NCc1nncn1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261948921 416335991 /nfs/dbraw/zinc/33/59/91/416335991.db2.gz GTBJPCKTGLCPAL-STQMWFEESA-N 2 2 316.413 0.670 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)CC2CCCCC2)CC1 ZINC000491486873 416602426 /nfs/dbraw/zinc/60/24/26/416602426.db2.gz YRLORWWZCWJGEO-UHFFFAOYSA-N 2 2 321.465 0.638 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)CC2CCCCC2)CC1 ZINC000491486873 416602433 /nfs/dbraw/zinc/60/24/33/416602433.db2.gz YRLORWWZCWJGEO-UHFFFAOYSA-N 2 2 321.465 0.638 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)CC1 ZINC000490779200 416574976 /nfs/dbraw/zinc/57/49/76/416574976.db2.gz SJGBPIQIWVLNLJ-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000490779200 416574981 /nfs/dbraw/zinc/57/49/81/416574981.db2.gz SJGBPIQIWVLNLJ-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)CC1 ZINC000490779200 416574985 /nfs/dbraw/zinc/57/49/85/416574985.db2.gz SJGBPIQIWVLNLJ-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)CC1 ZINC000490779200 416574989 /nfs/dbraw/zinc/57/49/89/416574989.db2.gz SJGBPIQIWVLNLJ-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)CC1 ZINC000490779201 416576015 /nfs/dbraw/zinc/57/60/15/416576015.db2.gz SJGBPIQIWVLNLJ-QGZVFWFLSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000490779201 416576018 /nfs/dbraw/zinc/57/60/18/416576018.db2.gz SJGBPIQIWVLNLJ-QGZVFWFLSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)CC1 ZINC000490779201 416576023 /nfs/dbraw/zinc/57/60/23/416576023.db2.gz SJGBPIQIWVLNLJ-QGZVFWFLSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)CC1 ZINC000490779201 416576027 /nfs/dbraw/zinc/57/60/27/416576027.db2.gz SJGBPIQIWVLNLJ-QGZVFWFLSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC(OC)CC2)CC1 ZINC000490853863 416578109 /nfs/dbraw/zinc/57/81/09/416578109.db2.gz VKSORBPXQYIAGH-UHFFFAOYSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC(OC)CC2)CC1 ZINC000490853863 416578111 /nfs/dbraw/zinc/57/81/11/416578111.db2.gz VKSORBPXQYIAGH-UHFFFAOYSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000490819856 416578356 /nfs/dbraw/zinc/57/83/56/416578356.db2.gz KVUIFKHEJGLVOV-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000490819856 416578359 /nfs/dbraw/zinc/57/83/59/416578359.db2.gz KVUIFKHEJGLVOV-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000490819856 416578362 /nfs/dbraw/zinc/57/83/62/416578362.db2.gz KVUIFKHEJGLVOV-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000490819856 416578365 /nfs/dbraw/zinc/57/83/65/416578365.db2.gz KVUIFKHEJGLVOV-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc[nH+]1 ZINC000424168522 416622109 /nfs/dbraw/zinc/62/21/09/416622109.db2.gz GARCWAARMARPNK-ZDUSSCGKSA-N 2 2 302.382 0.455 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000491774408 416626876 /nfs/dbraw/zinc/62/68/76/416626876.db2.gz WEBMUZKKCPAZQV-JKSUJKDBSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000491774408 416626880 /nfs/dbraw/zinc/62/68/80/416626880.db2.gz WEBMUZKKCPAZQV-JKSUJKDBSA-N 2 2 322.453 0.446 20 30 DCEDLP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737466 417879897 /nfs/dbraw/zinc/87/98/97/417879897.db2.gz ZOVXPSZDLHLHEU-YJBOKZPZSA-N 3 2 320.481 0.969 20 30 DCEDLP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418282353 267346153 /nfs/dbraw/zinc/34/61/53/267346153.db2.gz XOCYXIPUDJTENL-UHFFFAOYSA-N 2 2 315.421 0.995 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000491361071 333028537 /nfs/dbraw/zinc/02/85/37/333028537.db2.gz ISPXRIPPLZGLHE-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(OC)CC2)CC1 ZINC000491361071 333028538 /nfs/dbraw/zinc/02/85/38/333028538.db2.gz ISPXRIPPLZGLHE-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571815867 337577926 /nfs/dbraw/zinc/57/79/26/337577926.db2.gz JWMJAMBPAKBWLU-GFCCVEGCSA-N 2 2 302.382 0.483 20 30 DCEDLP C=CCNC(=O)CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435693264 338245563 /nfs/dbraw/zinc/24/55/63/338245563.db2.gz IKLDLXBKSAAICD-AWEZNQCLSA-N 2 2 317.437 0.666 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001569362243 1161027758 /nfs/dbraw/zinc/02/77/58/1161027758.db2.gz XHTRYYIZFVGUJP-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001569362243 1161027765 /nfs/dbraw/zinc/02/77/65/1161027765.db2.gz XHTRYYIZFVGUJP-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001569362243 1161027773 /nfs/dbraw/zinc/02/77/73/1161027773.db2.gz XHTRYYIZFVGUJP-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001569362243 1161027778 /nfs/dbraw/zinc/02/77/78/1161027778.db2.gz XHTRYYIZFVGUJP-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C=C(Cl)CNC(=[NH+]C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261940480 526884536 /nfs/dbraw/zinc/88/45/36/526884536.db2.gz DMRFACVFTCDDRN-UHFFFAOYSA-N 2 2 315.849 0.410 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647107 527624744 /nfs/dbraw/zinc/62/47/44/527624744.db2.gz MRFZVCQQRBUFPQ-OAHLLOKOSA-N 2 2 309.454 0.964 20 30 DCEDLP 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/nfs/dbraw/zinc/49/76/79/667497679.db2.gz HDTBXGDFCPODKZ-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000884203862 667497680 /nfs/dbraw/zinc/49/76/80/667497680.db2.gz HDTBXGDFCPODKZ-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000884203862 667497682 /nfs/dbraw/zinc/49/76/82/667497682.db2.gz HDTBXGDFCPODKZ-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000884219417 667502849 /nfs/dbraw/zinc/50/28/49/667502849.db2.gz OYBCQINNRZMJLG-KBPBESRZSA-N 2 2 311.426 0.527 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000884219417 667502853 /nfs/dbraw/zinc/50/28/53/667502853.db2.gz OYBCQINNRZMJLG-KBPBESRZSA-N 2 2 311.426 0.527 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000884228202 667504853 /nfs/dbraw/zinc/50/48/53/667504853.db2.gz KTUXFOYLRLRAGQ-KBPBESRZSA-N 2 2 311.426 0.623 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH2+]C ZINC000884384636 667535263 /nfs/dbraw/zinc/53/52/63/667535263.db2.gz RYVVUNYRYPUNRF-AWEZNQCLSA-N 2 2 305.378 0.469 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000884411159 667540088 /nfs/dbraw/zinc/54/00/88/667540088.db2.gz DNLSYNVUVNZXNZ-HZSPNIEDSA-N 2 2 311.426 0.799 20 30 DCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886309083 667754128 /nfs/dbraw/zinc/75/41/28/667754128.db2.gz SWQRLCLACZMYLX-AWEZNQCLSA-N 2 2 308.426 0.137 20 30 DCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886309083 667754130 /nfs/dbraw/zinc/75/41/30/667754130.db2.gz SWQRLCLACZMYLX-AWEZNQCLSA-N 2 2 308.426 0.137 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742105577 667780173 /nfs/dbraw/zinc/78/01/73/667780173.db2.gz ZNKTVABDDMWOPS-HOTGVXAUSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742105577 667780177 /nfs/dbraw/zinc/78/01/77/667780177.db2.gz ZNKTVABDDMWOPS-HOTGVXAUSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000890364730 668121096 /nfs/dbraw/zinc/12/10/96/668121096.db2.gz HGABXAVRYUKMTK-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000890364730 668121098 /nfs/dbraw/zinc/12/10/98/668121098.db2.gz HGABXAVRYUKMTK-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000890364730 668121100 /nfs/dbraw/zinc/12/11/00/668121100.db2.gz HGABXAVRYUKMTK-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000890364730 668121103 /nfs/dbraw/zinc/12/11/03/668121103.db2.gz HGABXAVRYUKMTK-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000890369344 668122751 /nfs/dbraw/zinc/12/27/51/668122751.db2.gz TWNJZIPVRBCCKY-OAHLLOKOSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000890369344 668122752 /nfs/dbraw/zinc/12/27/52/668122752.db2.gz TWNJZIPVRBCCKY-OAHLLOKOSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000890373206 668123618 /nfs/dbraw/zinc/12/36/18/668123618.db2.gz RFWFFRPCNBLVBD-MRXNPFEDSA-N 2 2 322.453 0.448 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOCC)CC2)C1 ZINC000890373206 668123620 /nfs/dbraw/zinc/12/36/20/668123620.db2.gz RFWFFRPCNBLVBD-MRXNPFEDSA-N 2 2 322.453 0.448 20 30 DCEDLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C#N)cn3)cn2)CC1 ZINC000780558350 668995131 /nfs/dbraw/zinc/99/51/31/668995131.db2.gz OECLPHSCZOTEDT-UHFFFAOYSA-N 2 2 323.404 0.785 20 30 DCEDLP C#CCC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000798412508 670003130 /nfs/dbraw/zinc/00/31/30/670003130.db2.gz DAVKKDWCPNLXDK-ZBFHGGJFSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CCC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000798412508 670003132 /nfs/dbraw/zinc/00/31/32/670003132.db2.gz DAVKKDWCPNLXDK-ZBFHGGJFSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000948825694 670188139 /nfs/dbraw/zinc/18/81/39/670188139.db2.gz NCLSGJSFKXEYCN-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000948825694 670188141 /nfs/dbraw/zinc/18/81/41/670188141.db2.gz NCLSGJSFKXEYCN-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(C#N)cn1 ZINC000854010009 670516508 /nfs/dbraw/zinc/51/65/08/670516508.db2.gz JWBJVZWTUCTZFM-UHFFFAOYSA-N 2 2 318.425 0.636 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(C#N)cn1 ZINC000854010009 670516511 /nfs/dbraw/zinc/51/65/11/670516511.db2.gz JWBJVZWTUCTZFM-UHFFFAOYSA-N 2 2 318.425 0.636 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691846339 1158751246 /nfs/dbraw/zinc/75/12/46/1158751246.db2.gz VNLPLTITMXLCQE-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691846339 1158751254 /nfs/dbraw/zinc/75/12/54/1158751254.db2.gz VNLPLTITMXLCQE-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC000958201144 687431319 /nfs/dbraw/zinc/43/13/19/687431319.db2.gz WXCKHNSIWDBOAC-IUODEOHRSA-N 2 2 322.409 0.335 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC000958201144 687431322 /nfs/dbraw/zinc/43/13/22/687431322.db2.gz WXCKHNSIWDBOAC-IUODEOHRSA-N 2 2 322.409 0.335 20 30 DCEDLP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039350293 694344398 /nfs/dbraw/zinc/34/43/98/694344398.db2.gz CWYDLLBBSBANPD-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039350293 694344402 /nfs/dbraw/zinc/34/44/02/694344402.db2.gz CWYDLLBBSBANPD-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350293 694344406 /nfs/dbraw/zinc/34/44/06/694344406.db2.gz CWYDLLBBSBANPD-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350293 694344411 /nfs/dbraw/zinc/34/44/11/694344411.db2.gz CWYDLLBBSBANPD-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407537 694890322 /nfs/dbraw/zinc/89/03/22/694890322.db2.gz GQHHPRFEXBEKFH-HOTGVXAUSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407537 694890325 /nfs/dbraw/zinc/89/03/25/694890325.db2.gz GQHHPRFEXBEKFH-HOTGVXAUSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976249 694990911 /nfs/dbraw/zinc/99/09/11/694990911.db2.gz QYFKBLXTIJVXQF-SWLSCSKDSA-N 2 2 302.378 0.516 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976249 694990912 /nfs/dbraw/zinc/99/09/12/694990912.db2.gz QYFKBLXTIJVXQF-SWLSCSKDSA-N 2 2 302.378 0.516 20 30 DCEDLP C=CCC[NH+]1CCC(CO)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001570495051 1162531083 /nfs/dbraw/zinc/53/10/83/1162531083.db2.gz SMPLIDZTTZNRMG-UHFFFAOYSA-N 2 2 320.437 0.872 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001571550816 1162806556 /nfs/dbraw/zinc/80/65/56/1162806556.db2.gz UTQJRGUMRCOCGZ-CABCVRRESA-N 2 2 304.394 0.407 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001690996943 1157393076 /nfs/dbraw/zinc/39/30/76/1157393076.db2.gz ZZLUXUZEIFDVOA-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001690996943 1157393085 /nfs/dbraw/zinc/39/30/85/1157393085.db2.gz ZZLUXUZEIFDVOA-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691117273 1157586917 /nfs/dbraw/zinc/58/69/17/1157586917.db2.gz NPQBGVZEBFJXFK-OAGGEKHMSA-N 2 2 318.421 0.968 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001755017653 1157908515 /nfs/dbraw/zinc/90/85/15/1157908515.db2.gz NBTVLJCVFNVKHW-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001691846339 1158751231 /nfs/dbraw/zinc/75/12/31/1158751231.db2.gz VNLPLTITMXLCQE-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001691846339 1158751238 /nfs/dbraw/zinc/75/12/38/1158751238.db2.gz VNLPLTITMXLCQE-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001566800613 1160157363 /nfs/dbraw/zinc/15/73/63/1160157363.db2.gz FMTDAMIYPXHTBE-ZOBUZTSGSA-N 2 2 319.449 0.890 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001566800613 1160157368 /nfs/dbraw/zinc/15/73/68/1160157368.db2.gz FMTDAMIYPXHTBE-ZOBUZTSGSA-N 2 2 319.449 0.890 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCOCC1 ZINC001569730645 1161209484 /nfs/dbraw/zinc/20/94/84/1161209484.db2.gz OXWAGYQLCQXFDD-UHFFFAOYSA-N 2 2 318.421 0.815 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001570310122 1161558387 /nfs/dbraw/zinc/55/83/87/1161558387.db2.gz QBIRMZLUYLINRH-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@H]([NH3+])CC)CC1 ZINC001574707191 1163740784 /nfs/dbraw/zinc/74/07/84/1163740784.db2.gz OCLLPCQVTMVCDN-CQSZACIVSA-N 2 2 304.442 0.894 20 30 DCEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001576813633 1164479798 /nfs/dbraw/zinc/47/97/98/1164479798.db2.gz CJEJHEDSRVDVNA-MCIONIFRSA-N 2 2 300.410 0.714 20 30 DCEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001576813633 1164479801 /nfs/dbraw/zinc/47/98/01/1164479801.db2.gz CJEJHEDSRVDVNA-MCIONIFRSA-N 2 2 300.410 0.714 20 30 DCEDLP C=CCN1CC[NH+](CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001660909472 1174065316 /nfs/dbraw/zinc/06/53/16/1174065316.db2.gz QKLSUFKSXXETOB-UHFFFAOYSA-N 2 2 305.426 0.501 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001666439622 1174603200 /nfs/dbraw/zinc/60/32/00/1174603200.db2.gz SDIWDCHNKLFMLJ-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001666620492 1174615732 /nfs/dbraw/zinc/61/57/32/1174615732.db2.gz PNQKYYOXJCOTNV-RRFJBIMHSA-N 2 2 318.421 0.515 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001666730403 1174632457 /nfs/dbraw/zinc/63/24/57/1174632457.db2.gz SSAIAESUYXMPDH-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001666730403 1174632460 /nfs/dbraw/zinc/63/24/60/1174632460.db2.gz SSAIAESUYXMPDH-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001672104757 1175078095 /nfs/dbraw/zinc/07/80/95/1175078095.db2.gz AACYKDMBMLMODF-CQSZACIVSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001672636942 1175136388 /nfs/dbraw/zinc/13/63/88/1175136388.db2.gz ZLMZRENYHXXPMO-CQSZACIVSA-N 2 2 306.410 0.432 20 30 DCEDLP COCC#CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001673016986 1175165034 /nfs/dbraw/zinc/16/50/34/1175165034.db2.gz TWHYLNLZEYFJGT-UHFFFAOYSA-N 2 2 316.405 0.526 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001689270774 1176782169 /nfs/dbraw/zinc/78/21/69/1176782169.db2.gz VWXYXKUFIPECKB-OAHLLOKOSA-N 2 2 318.421 0.963 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001690042676 1177148835 /nfs/dbraw/zinc/14/88/35/1177148835.db2.gz XQXHFXQZHMEHFN-OAHLLOKOSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001690042676 1177148838 /nfs/dbraw/zinc/14/88/38/1177148838.db2.gz XQXHFXQZHMEHFN-OAHLLOKOSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699951309 1178394432 /nfs/dbraw/zinc/39/44/32/1178394432.db2.gz VVDGDGNQUWQTLO-KGLIPLIRSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001699997954 1178415150 /nfs/dbraw/zinc/41/51/50/1178415150.db2.gz DMNRHSOGBFJORF-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001699997954 1178415152 /nfs/dbraw/zinc/41/51/52/1178415152.db2.gz DMNRHSOGBFJORF-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP COCC#CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001700286170 1178567262 /nfs/dbraw/zinc/56/72/62/1178567262.db2.gz MZVDUKFDQYKUKF-UHFFFAOYSA-N 2 2 318.421 0.583 20 30 DCEDLP C=C(C)C[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700788985 1178744303 /nfs/dbraw/zinc/74/43/03/1178744303.db2.gz FNKNYCORDVWUDS-CQSZACIVSA-N 2 2 302.378 0.899 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001700963685 1178842453 /nfs/dbraw/zinc/84/24/53/1178842453.db2.gz HSHFQLRXIAOISG-ZDUSSCGKSA-N 2 2 322.409 0.124 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001700963685 1178842464 /nfs/dbraw/zinc/84/24/64/1178842464.db2.gz HSHFQLRXIAOISG-ZDUSSCGKSA-N 2 2 322.409 0.124 20 30 DCEDLP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001707214308 1180437342 /nfs/dbraw/zinc/43/73/42/1180437342.db2.gz WBOCJJXTMBHCRM-MRXNPFEDSA-N 2 2 320.437 0.824 20 30 DCEDLP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001707214308 1180437346 /nfs/dbraw/zinc/43/73/46/1180437346.db2.gz WBOCJJXTMBHCRM-MRXNPFEDSA-N 2 2 320.437 0.824 20 30 DCEDLP C=CCN1CC[NH+](CCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001713742905 1181037549 /nfs/dbraw/zinc/03/75/49/1181037549.db2.gz ODBNHBBITKEEQS-KRWDZBQOSA-N 2 2 320.481 0.590 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001713745166 1181039863 /nfs/dbraw/zinc/03/98/63/1181039863.db2.gz WKNRNRKQUDDEEF-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001713745166 1181039870 /nfs/dbraw/zinc/03/98/70/1181039870.db2.gz WKNRNRKQUDDEEF-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP CC#CCN1CC[NH+](CCN(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713744003 1181040817 /nfs/dbraw/zinc/04/08/17/1181040817.db2.gz DHIMHKRPMYTFDC-UHFFFAOYSA-N 2 2 320.481 0.428 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001713793546 1181068782 /nfs/dbraw/zinc/06/87/82/1181068782.db2.gz NELAAQIVXLYNJZ-AWEZNQCLSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001713793546 1181068793 /nfs/dbraw/zinc/06/87/93/1181068793.db2.gz NELAAQIVXLYNJZ-AWEZNQCLSA-N 2 2 319.409 0.074 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001713812582 1181088256 /nfs/dbraw/zinc/08/82/56/1181088256.db2.gz GXEJHNCMIYEAQG-INIZCTEOSA-N 2 2 324.469 0.017 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001713812582 1181088265 /nfs/dbraw/zinc/08/82/65/1181088265.db2.gz GXEJHNCMIYEAQG-INIZCTEOSA-N 2 2 324.469 0.017 20 30 DCEDLP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714583294 1181426016 /nfs/dbraw/zinc/42/60/16/1181426016.db2.gz DQQPBWVOGRWLAZ-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714583294 1181426018 /nfs/dbraw/zinc/42/60/18/1181426018.db2.gz DQQPBWVOGRWLAZ-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714583294 1181426020 /nfs/dbraw/zinc/42/60/20/1181426020.db2.gz DQQPBWVOGRWLAZ-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714583294 1181426023 /nfs/dbraw/zinc/42/60/23/1181426023.db2.gz DQQPBWVOGRWLAZ-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714921710 1181600984 /nfs/dbraw/zinc/60/09/84/1181600984.db2.gz VRTVPSYLRHTASF-RBSFLKMASA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714921710 1181600985 /nfs/dbraw/zinc/60/09/85/1181600985.db2.gz VRTVPSYLRHTASF-RBSFLKMASA-N 2 2 322.453 0.045 20 30 DCEDLP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH+]cn1C ZINC001714932147 1181607365 /nfs/dbraw/zinc/60/73/65/1181607365.db2.gz FMSQEEAYAOEOKS-HNNXBMFYSA-N 2 2 320.437 0.733 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001716787814 1182526525 /nfs/dbraw/zinc/52/65/25/1182526525.db2.gz LLVHQCHUJLWIHL-AWEZNQCLSA-N 2 2 318.421 0.918 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001716788002 1182526564 /nfs/dbraw/zinc/52/65/64/1182526564.db2.gz SANYMGMNGYDADX-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CC[NH2+]CCN(CCO)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001717062492 1182659479 /nfs/dbraw/zinc/65/94/79/1182659479.db2.gz WOYPCEXWVIXQNF-UHFFFAOYSA-N 2 2 316.405 0.782 20 30 DCEDLP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001717723263 1182969932 /nfs/dbraw/zinc/96/99/32/1182969932.db2.gz XMUJTKAIZINRLA-AWEZNQCLSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001723483913 1184318381 /nfs/dbraw/zinc/31/83/81/1184318381.db2.gz LKJAKBBWUSQZCT-ZIAGYGMSSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001723483913 1184318385 /nfs/dbraw/zinc/31/83/85/1184318385.db2.gz LKJAKBBWUSQZCT-ZIAGYGMSSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001723483913 1184318390 /nfs/dbraw/zinc/31/83/90/1184318390.db2.gz LKJAKBBWUSQZCT-ZIAGYGMSSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001723483913 1184318395 /nfs/dbraw/zinc/31/83/95/1184318395.db2.gz LKJAKBBWUSQZCT-ZIAGYGMSSA-N 2 2 310.442 0.208 20 30 DCEDLP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001724046842 1184372138 /nfs/dbraw/zinc/37/21/38/1184372138.db2.gz FFWPEGFMGMEPOS-AWEZNQCLSA-N 2 2 318.421 0.649 20 30 DCEDLP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001724046842 1184372143 /nfs/dbraw/zinc/37/21/43/1184372143.db2.gz FFWPEGFMGMEPOS-AWEZNQCLSA-N 2 2 318.421 0.649 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001725021749 1184660118 /nfs/dbraw/zinc/66/01/18/1184660118.db2.gz BJPDLLOWTDEWTP-OAHLLOKOSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001731795909 1185492513 /nfs/dbraw/zinc/49/25/13/1185492513.db2.gz LWMQZRDVTKHYGU-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731795909 1185492518 /nfs/dbraw/zinc/49/25/18/1185492518.db2.gz LWMQZRDVTKHYGU-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731795909 1185492522 /nfs/dbraw/zinc/49/25/22/1185492522.db2.gz LWMQZRDVTKHYGU-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731795909 1185492524 /nfs/dbraw/zinc/49/25/24/1185492524.db2.gz LWMQZRDVTKHYGU-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001732960527 1186082946 /nfs/dbraw/zinc/08/29/46/1186082946.db2.gz WQQZLOBSFQZYLA-GFCCVEGCSA-N 2 2 300.362 0.921 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001733333263 1186231334 /nfs/dbraw/zinc/23/13/34/1186231334.db2.gz ZTFGCANUENSLBT-KBPBESRZSA-N 2 2 304.394 0.571 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCOC)CC1 ZINC001733374178 1186246102 /nfs/dbraw/zinc/24/61/02/1186246102.db2.gz WLNDFAGYWDXNGS-UHFFFAOYSA-N 2 2 318.421 0.535 20 30 DCEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001733620455 1186372563 /nfs/dbraw/zinc/37/25/63/1186372563.db2.gz KTDOKTKGVXHNEC-OAHLLOKOSA-N 2 2 320.437 0.822 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001734129140 1186555491 /nfs/dbraw/zinc/55/54/91/1186555491.db2.gz PBCKAQRTXIPZTP-UONOGXRCSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001734129140 1186555495 /nfs/dbraw/zinc/55/54/95/1186555495.db2.gz PBCKAQRTXIPZTP-UONOGXRCSA-N 2 2 322.453 0.067 20 30 DCEDLP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001734345287 1186619253 /nfs/dbraw/zinc/61/92/53/1186619253.db2.gz ZDQKPIDGGDMZBJ-ZIAGYGMSSA-N 2 2 319.409 0.020 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1csnn1 ZINC001753618574 1188625188 /nfs/dbraw/zinc/62/51/88/1188625188.db2.gz MTCWHSVDTVPYQO-JSGCOSHPSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1csnn1 ZINC001753618574 1188625189 /nfs/dbraw/zinc/62/51/89/1188625189.db2.gz MTCWHSVDTVPYQO-JSGCOSHPSA-N 2 2 321.450 0.478 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001753928241 1188685799 /nfs/dbraw/zinc/68/57/99/1188685799.db2.gz YCROKOIHTZSLFF-MGPQQGTHSA-N 2 2 306.410 0.557 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001754444980 1188854372 /nfs/dbraw/zinc/85/43/72/1188854372.db2.gz MRMSWIANTDWQRN-GJZGRUSLSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001755662279 1189178268 /nfs/dbraw/zinc/17/82/68/1189178268.db2.gz CGJKSZOUTBPOQW-KGLIPLIRSA-N 2 2 304.394 0.489 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755783116 1189211031 /nfs/dbraw/zinc/21/10/31/1189211031.db2.gz LHQCTHQSCJOFIP-ZDUSSCGKSA-N 2 2 302.378 0.933 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314195 751575929 /nfs/dbraw/zinc/57/59/29/751575929.db2.gz NHVXYNHQGMMQLR-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314195 751575934 /nfs/dbraw/zinc/57/59/34/751575934.db2.gz NHVXYNHQGMMQLR-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379510 751618901 /nfs/dbraw/zinc/61/89/01/751618901.db2.gz DLURXXWIDXSWGN-HOTGVXAUSA-N 2 2 321.465 0.778 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379510 751618904 /nfs/dbraw/zinc/61/89/04/751618904.db2.gz DLURXXWIDXSWGN-HOTGVXAUSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](CC)[NH+](C)C)nn2)C1 ZINC001107212199 751953913 /nfs/dbraw/zinc/95/39/13/751953913.db2.gz SMSUGIHPWZOJKH-HNNXBMFYSA-N 2 2 318.425 0.115 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548373 747210705 /nfs/dbraw/zinc/21/07/05/747210705.db2.gz SBGDLKMCCDRVDX-UHFFFAOYSA-N 2 2 318.421 0.569 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548373 747210710 /nfs/dbraw/zinc/21/07/10/747210710.db2.gz SBGDLKMCCDRVDX-UHFFFAOYSA-N 2 2 318.421 0.569 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276141 747727434 /nfs/dbraw/zinc/72/74/34/747727434.db2.gz NRLQTGNUKWPXPP-OWCLPIDISA-N 2 2 323.437 0.052 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276141 747727438 /nfs/dbraw/zinc/72/74/38/747727438.db2.gz NRLQTGNUKWPXPP-OWCLPIDISA-N 2 2 323.437 0.052 20 30 DCEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143332 761932740 /nfs/dbraw/zinc/93/27/40/761932740.db2.gz RKUOGVSSSJVXJW-DLBZAZTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143332 761932743 /nfs/dbraw/zinc/93/27/43/761932743.db2.gz RKUOGVSSSJVXJW-DLBZAZTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143332 761932745 /nfs/dbraw/zinc/93/27/45/761932745.db2.gz RKUOGVSSSJVXJW-DLBZAZTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143332 761932750 /nfs/dbraw/zinc/93/27/50/761932750.db2.gz RKUOGVSSSJVXJW-DLBZAZTESA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001083537216 750117355 /nfs/dbraw/zinc/11/73/55/750117355.db2.gz IXRFAFCCXFZXEZ-PMPSAXMXSA-N 2 2 307.438 0.291 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@@H]1O ZINC001083537216 750117361 /nfs/dbraw/zinc/11/73/61/750117361.db2.gz IXRFAFCCXFZXEZ-PMPSAXMXSA-N 2 2 307.438 0.291 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@@H]1O ZINC001083537216 750117363 /nfs/dbraw/zinc/11/73/63/750117363.db2.gz IXRFAFCCXFZXEZ-PMPSAXMXSA-N 2 2 307.438 0.291 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077081738 750192535 /nfs/dbraw/zinc/19/25/35/750192535.db2.gz HXZWWQOFPDGMQZ-ZIAGYGMSSA-N 2 2 321.446 0.608 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077081738 750192538 /nfs/dbraw/zinc/19/25/38/750192538.db2.gz HXZWWQOFPDGMQZ-ZIAGYGMSSA-N 2 2 321.446 0.608 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077397292 750392952 /nfs/dbraw/zinc/39/29/52/750392952.db2.gz UEKQBVOJJWKAGS-UKRRQHHQSA-N 2 2 304.394 0.109 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077397292 750392961 /nfs/dbraw/zinc/39/29/61/750392961.db2.gz UEKQBVOJJWKAGS-UKRRQHHQSA-N 2 2 304.394 0.109 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083719015 751030979 /nfs/dbraw/zinc/03/09/79/751030979.db2.gz LGMYDRTVKAKVAM-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083719015 751030986 /nfs/dbraw/zinc/03/09/86/751030986.db2.gz LGMYDRTVKAKVAM-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719015 751030989 /nfs/dbraw/zinc/03/09/89/751030989.db2.gz LGMYDRTVKAKVAM-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719015 751030996 /nfs/dbraw/zinc/03/09/96/751030996.db2.gz LGMYDRTVKAKVAM-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998711 752867661 /nfs/dbraw/zinc/86/76/61/752867661.db2.gz PUCJJYUJNBECKM-NVXWUHKLSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998711 752867668 /nfs/dbraw/zinc/86/76/68/752867668.db2.gz PUCJJYUJNBECKM-NVXWUHKLSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCC=C)C[C@@H]1O ZINC001047415098 754261492 /nfs/dbraw/zinc/26/14/92/754261492.db2.gz GXRXDPPYBFLQCB-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC=C)C[C@@H]1O ZINC001047415098 754261494 /nfs/dbraw/zinc/26/14/94/754261494.db2.gz GXRXDPPYBFLQCB-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCC=C)C[C@@H]1O ZINC001047415098 754261498 /nfs/dbraw/zinc/26/14/98/754261498.db2.gz GXRXDPPYBFLQCB-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCC=C)C[C@@H]1O ZINC001047415098 754261500 /nfs/dbraw/zinc/26/15/00/754261500.db2.gz GXRXDPPYBFLQCB-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047459117 754303094 /nfs/dbraw/zinc/30/30/94/754303094.db2.gz KRGNCMLFXLNEGR-HOTGVXAUSA-N 2 2 312.373 0.475 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047459117 754303100 /nfs/dbraw/zinc/30/31/00/754303100.db2.gz KRGNCMLFXLNEGR-HOTGVXAUSA-N 2 2 312.373 0.475 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047532879 754367462 /nfs/dbraw/zinc/36/74/62/754367462.db2.gz PRUYEPKCBNEHGE-VDERGJSUSA-N 2 2 316.405 0.050 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047532879 754367466 /nfs/dbraw/zinc/36/74/66/754367466.db2.gz PRUYEPKCBNEHGE-VDERGJSUSA-N 2 2 316.405 0.050 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](O)C1 ZINC001090262917 754838642 /nfs/dbraw/zinc/83/86/42/754838642.db2.gz APDVRBUOOZLBLZ-HUUCEWRRSA-N 2 2 314.389 0.994 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](O)C1 ZINC001090262917 754838646 /nfs/dbraw/zinc/83/86/46/754838646.db2.gz APDVRBUOOZLBLZ-HUUCEWRRSA-N 2 2 314.389 0.994 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001053766332 756190834 /nfs/dbraw/zinc/19/08/34/756190834.db2.gz LCTLGCFUDWGIDY-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001053766332 756190838 /nfs/dbraw/zinc/19/08/38/756190838.db2.gz LCTLGCFUDWGIDY-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054015873 756334965 /nfs/dbraw/zinc/33/49/65/756334965.db2.gz RJBJSNBGQFLGPZ-HZPDHXFCSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054015873 756334970 /nfs/dbraw/zinc/33/49/70/756334970.db2.gz RJBJSNBGQFLGPZ-HZPDHXFCSA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773829 762728197 /nfs/dbraw/zinc/72/81/97/762728197.db2.gz PXHOBKIRKKLSRM-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773829 762728205 /nfs/dbraw/zinc/72/82/05/762728205.db2.gz PXHOBKIRKKLSRM-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098773829 762728214 /nfs/dbraw/zinc/72/82/14/762728214.db2.gz PXHOBKIRKKLSRM-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098773829 762728221 /nfs/dbraw/zinc/72/82/21/762728221.db2.gz PXHOBKIRKKLSRM-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001083105235 757498029 /nfs/dbraw/zinc/49/80/29/757498029.db2.gz PRESNAATCZTSEC-SOUVJXGZSA-N 2 2 316.405 0.858 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001083105235 757498031 /nfs/dbraw/zinc/49/80/31/757498031.db2.gz PRESNAATCZTSEC-SOUVJXGZSA-N 2 2 316.405 0.858 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOC)C[C@H]21 ZINC001084417811 757819135 /nfs/dbraw/zinc/81/91/35/757819135.db2.gz GSCVJBSKHMPLDO-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOC)C[C@H]21 ZINC001084417811 757819146 /nfs/dbraw/zinc/81/91/46/757819146.db2.gz GSCVJBSKHMPLDO-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOC)C[C@H]21 ZINC001084417811 757819162 /nfs/dbraw/zinc/81/91/62/757819162.db2.gz GSCVJBSKHMPLDO-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOC)C[C@H]21 ZINC001084417811 757819175 /nfs/dbraw/zinc/81/91/75/757819175.db2.gz GSCVJBSKHMPLDO-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)CC1 ZINC001051255138 758549112 /nfs/dbraw/zinc/54/91/12/758549112.db2.gz PFYGQCLJJQVWFB-QGZVFWFLSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)CC1 ZINC001051255138 758549119 /nfs/dbraw/zinc/54/91/19/758549119.db2.gz PFYGQCLJJQVWFB-QGZVFWFLSA-N 2 2 319.449 0.559 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971269 758847228 /nfs/dbraw/zinc/84/72/28/758847228.db2.gz DWZCNLQAMXMUJN-QWHCGFSZSA-N 2 2 315.845 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971269 758847236 /nfs/dbraw/zinc/84/72/36/758847236.db2.gz DWZCNLQAMXMUJN-QWHCGFSZSA-N 2 2 315.845 0.632 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052051536 759145226 /nfs/dbraw/zinc/14/52/26/759145226.db2.gz AGULWPDBQKDVBU-MRXNPFEDSA-N 2 2 315.421 0.043 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639959 759148816 /nfs/dbraw/zinc/14/88/16/759148816.db2.gz ZJPMJXXCLQYQAD-IRXDYDNUSA-N 2 2 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XGYFRJAVZSIHMW-HNNXBMFYSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946197 761523739 /nfs/dbraw/zinc/52/37/39/761523739.db2.gz XGYFRJAVZSIHMW-HNNXBMFYSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001070946197 761523746 /nfs/dbraw/zinc/52/37/46/761523746.db2.gz XGYFRJAVZSIHMW-HNNXBMFYSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001070999920 761571940 /nfs/dbraw/zinc/57/19/40/761571940.db2.gz FXEZRUUFHXISOS-HUUCEWRRSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001070999920 761571949 /nfs/dbraw/zinc/57/19/49/761571949.db2.gz FXEZRUUFHXISOS-HUUCEWRRSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999920 761571955 /nfs/dbraw/zinc/57/19/55/761571955.db2.gz FXEZRUUFHXISOS-HUUCEWRRSA-N 2 2 322.453 0.021 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001070999920 761571960 /nfs/dbraw/zinc/57/19/60/761571960.db2.gz FXEZRUUFHXISOS-HUUCEWRRSA-N 2 2 322.453 0.021 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241058 761732866 /nfs/dbraw/zinc/73/28/66/761732866.db2.gz OJXHSBYKWSHOJQ-RHSMWYFYSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241058 761732874 /nfs/dbraw/zinc/73/28/74/761732874.db2.gz OJXHSBYKWSHOJQ-RHSMWYFYSA-N 2 2 316.405 0.517 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099928630 763133224 /nfs/dbraw/zinc/13/32/24/763133224.db2.gz MBAZSAVPUYFICE-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099928630 763133234 /nfs/dbraw/zinc/13/32/34/763133234.db2.gz MBAZSAVPUYFICE-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490332 763348451 /nfs/dbraw/zinc/34/84/51/763348451.db2.gz AZOMRGSSFWDJBL-ZDUSSCGKSA-N 2 2 306.410 0.731 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490332 763348461 /nfs/dbraw/zinc/34/84/61/763348461.db2.gz AZOMRGSSFWDJBL-ZDUSSCGKSA-N 2 2 306.410 0.731 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001131391497 763795857 /nfs/dbraw/zinc/79/58/57/763795857.db2.gz WKIYHHNELRZDPY-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=CC[NH+]1CCNC(=O)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131391497 763795862 /nfs/dbraw/zinc/79/58/62/763795862.db2.gz WKIYHHNELRZDPY-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131391497 763795867 /nfs/dbraw/zinc/79/58/67/763795867.db2.gz WKIYHHNELRZDPY-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001131391497 763795872 /nfs/dbraw/zinc/79/58/72/763795872.db2.gz WKIYHHNELRZDPY-UHFFFAOYSA-N 2 2 310.442 0.165 20 30 DCEDLP 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ZINC001093410036 768562353 /nfs/dbraw/zinc/56/23/53/768562353.db2.gz NSWIMYBYHCIJQW-UHFFFAOYSA-N 2 2 316.405 0.715 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)C3CC[NH+](C)CC3)nn2)C1 ZINC001094315403 768967451 /nfs/dbraw/zinc/96/74/51/768967451.db2.gz LUOSQRNDIBOVCZ-UHFFFAOYSA-N 2 2 318.425 0.279 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)nn2)C1 ZINC001094316098 768968353 /nfs/dbraw/zinc/96/83/53/768968353.db2.gz FOYUUAGVCDTRIG-WFASDCNBSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001094316098 768968358 /nfs/dbraw/zinc/96/83/58/768968358.db2.gz FOYUUAGVCDTRIG-WFASDCNBSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2=O)C1 ZINC001094783602 769275165 /nfs/dbraw/zinc/27/51/65/769275165.db2.gz SQNHSWQCJRGQMR-UONOGXRCSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2=O)C1 ZINC001094783602 769275169 /nfs/dbraw/zinc/27/51/69/769275169.db2.gz SQNHSWQCJRGQMR-UONOGXRCSA-N 2 2 320.437 0.058 20 30 DCEDLP C[NH+](C)CCN1CC[N@H+](Cc2cc(C#N)ccc2O)CCC1=O ZINC001232678999 769333239 /nfs/dbraw/zinc/33/32/39/769333239.db2.gz XUWTYIPCSVRCGV-UHFFFAOYSA-N 2 2 316.405 0.860 20 30 DCEDLP C[NH+](C)CCN1CC[N@@H+](Cc2cc(C#N)ccc2O)CCC1=O ZINC001232678999 769333241 /nfs/dbraw/zinc/33/32/41/769333241.db2.gz XUWTYIPCSVRCGV-UHFFFAOYSA-N 2 2 316.405 0.860 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063931 770318514 /nfs/dbraw/zinc/31/85/14/770318514.db2.gz GUCHWDFJEKXITH-INIZCTEOSA-N 2 2 318.421 0.430 20 30 DCEDLP N#Cc1c(Cl)ncnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372032 770479585 /nfs/dbraw/zinc/47/95/85/770479585.db2.gz FNJCBBSOIFGDSA-LLVKDONJSA-N 2 2 306.801 0.861 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183773703 771699169 /nfs/dbraw/zinc/69/91/69/771699169.db2.gz TZEYLYGGTXRYKE-LSDHHAIUSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158472191 771779976 /nfs/dbraw/zinc/77/99/76/771779976.db2.gz UXFVWPPHAWPPRF-OAHLLOKOSA-N 2 2 303.410 0.909 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158472191 771779980 /nfs/dbraw/zinc/77/99/80/771779980.db2.gz UXFVWPPHAWPPRF-OAHLLOKOSA-N 2 2 303.410 0.909 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159546958 771927224 /nfs/dbraw/zinc/92/72/24/771927224.db2.gz FXVDGVKATXZXRH-LBPRGKRZSA-N 2 2 307.398 0.129 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159546958 771927226 /nfs/dbraw/zinc/92/72/26/771927226.db2.gz FXVDGVKATXZXRH-LBPRGKRZSA-N 2 2 307.398 0.129 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001160431711 772036950 /nfs/dbraw/zinc/03/69/50/772036950.db2.gz BHZXALJIJURODD-RDJZCZTQSA-N 2 2 307.438 0.865 20 30 DCEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160993284 772147024 /nfs/dbraw/zinc/14/70/24/772147024.db2.gz YVJWWZYPENRLRJ-UHFFFAOYSA-N 2 2 313.361 0.022 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)(COC)CC1 ZINC001162296095 772354714 /nfs/dbraw/zinc/35/47/14/772354714.db2.gz PWOPCLYROWJYTI-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561065 772933118 /nfs/dbraw/zinc/93/31/18/772933118.db2.gz WVEGOKJUVILONP-JSGCOSHPSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561065 772933121 /nfs/dbraw/zinc/93/31/21/772933121.db2.gz WVEGOKJUVILONP-JSGCOSHPSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204092431 772936666 /nfs/dbraw/zinc/93/66/66/772936666.db2.gz INBNVDLHVOJVND-ZDUSSCGKSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193697025 773105165 /nfs/dbraw/zinc/10/51/65/773105165.db2.gz XCMUIJNFJLFGOL-CQSZACIVSA-N 2 2 306.410 0.996 20 30 DCEDLP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193697025 773105167 /nfs/dbraw/zinc/10/51/67/773105167.db2.gz XCMUIJNFJLFGOL-CQSZACIVSA-N 2 2 306.410 0.996 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196500767 773610967 /nfs/dbraw/zinc/61/09/67/773610967.db2.gz UVUUDNJZMIJEAC-RBSFLKMASA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196500767 773610970 /nfs/dbraw/zinc/61/09/70/773610970.db2.gz UVUUDNJZMIJEAC-RBSFLKMASA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292033 773893063 /nfs/dbraw/zinc/89/30/63/773893063.db2.gz HDCZVCRCKCDFQN-FVQBIDKESA-N 2 2 320.437 0.869 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198292033 773893070 /nfs/dbraw/zinc/89/30/70/773893070.db2.gz HDCZVCRCKCDFQN-FVQBIDKESA-N 2 2 320.437 0.869 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226708 774050854 /nfs/dbraw/zinc/05/08/54/774050854.db2.gz QMNRUYZFDMXWBY-BRWVUGGUSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226708 774050862 /nfs/dbraw/zinc/05/08/62/774050862.db2.gz QMNRUYZFDMXWBY-BRWVUGGUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC001200840905 774415090 /nfs/dbraw/zinc/41/50/90/774415090.db2.gz KTMMQMCBUDASAZ-GDBMZVCRSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200949674 774435326 /nfs/dbraw/zinc/43/53/26/774435326.db2.gz IIIOXMJDJCTNFG-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200949674 774435329 /nfs/dbraw/zinc/43/53/29/774435329.db2.gz IIIOXMJDJCTNFG-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201855558 774557801 /nfs/dbraw/zinc/55/78/01/774557801.db2.gz CPBRHKADIXLBCK-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC001220185618 774725556 /nfs/dbraw/zinc/72/55/56/774725556.db2.gz IJMKTRFNRLSTHY-KBPBESRZSA-N 2 2 322.359 0.789 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347528 776283639 /nfs/dbraw/zinc/28/36/39/776283639.db2.gz DWGXTYMGSYZMNH-HUUCEWRRSA-N 2 2 304.394 0.550 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ncccn2)CC1 ZINC001317668498 945157040 /nfs/dbraw/zinc/15/70/40/945157040.db2.gz CTZYRILIAVUOSN-UHFFFAOYSA-N 2 2 315.421 0.370 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266477665 939130163 /nfs/dbraw/zinc/13/01/63/939130163.db2.gz SYKYTRVPBHCDCJ-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266477665 939130165 /nfs/dbraw/zinc/13/01/65/939130165.db2.gz SYKYTRVPBHCDCJ-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266477665 939130166 /nfs/dbraw/zinc/13/01/66/939130166.db2.gz SYKYTRVPBHCDCJ-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266477665 939130170 /nfs/dbraw/zinc/13/01/70/939130170.db2.gz SYKYTRVPBHCDCJ-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001266728688 939222204 /nfs/dbraw/zinc/22/22/04/939222204.db2.gz HXTRBCGZWVCBEY-LBPRGKRZSA-N 2 2 307.423 0.184 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001266728688 939222206 /nfs/dbraw/zinc/22/22/06/939222206.db2.gz HXTRBCGZWVCBEY-LBPRGKRZSA-N 2 2 307.423 0.184 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001267194507 939381620 /nfs/dbraw/zinc/38/16/20/939381620.db2.gz QXMYGNSVYMZANN-GJZGRUSLSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267194507 939381624 /nfs/dbraw/zinc/38/16/24/939381624.db2.gz QXMYGNSVYMZANN-GJZGRUSLSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267194507 939381627 /nfs/dbraw/zinc/38/16/27/939381627.db2.gz QXMYGNSVYMZANN-GJZGRUSLSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001267194507 939381629 /nfs/dbraw/zinc/38/16/29/939381629.db2.gz QXMYGNSVYMZANN-GJZGRUSLSA-N 2 2 324.469 0.598 20 30 DCEDLP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267394543 939448016 /nfs/dbraw/zinc/44/80/16/939448016.db2.gz GEMOPWJAYUNLPH-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001268759456 940351539 /nfs/dbraw/zinc/35/15/39/940351539.db2.gz LOUJIKLDKJTGQQ-HNNXBMFYSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001268759456 940351542 /nfs/dbraw/zinc/35/15/42/940351542.db2.gz LOUJIKLDKJTGQQ-HNNXBMFYSA-N 2 2 306.410 0.750 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOCC)C1 ZINC001269250182 940661807 /nfs/dbraw/zinc/66/18/07/940661807.db2.gz AIKHZHZETRECPJ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOCC)C1 ZINC001269250182 940661809 /nfs/dbraw/zinc/66/18/09/940661809.db2.gz AIKHZHZETRECPJ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOCC)C1 ZINC001269250182 940661814 /nfs/dbraw/zinc/66/18/14/940661814.db2.gz AIKHZHZETRECPJ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001269321592 940682374 /nfs/dbraw/zinc/68/23/74/940682374.db2.gz YZGCGAMYGCHYPK-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001269321592 940682376 /nfs/dbraw/zinc/68/23/76/940682376.db2.gz YZGCGAMYGCHYPK-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC#CCOC ZINC001269502986 940721020 /nfs/dbraw/zinc/72/10/20/940721020.db2.gz LWURWYQRXTTWFU-CQSZACIVSA-N 2 2 306.410 0.487 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001271020605 941242884 /nfs/dbraw/zinc/24/28/84/941242884.db2.gz ASKUQLIWQOWTSQ-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001271158867 941300864 /nfs/dbraw/zinc/30/08/64/941300864.db2.gz FXWPGBULJAFEKZ-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001271158867 941300866 /nfs/dbraw/zinc/30/08/66/941300866.db2.gz FXWPGBULJAFEKZ-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271200801 941320958 /nfs/dbraw/zinc/32/09/58/941320958.db2.gz KYSMVDOBBVOFQR-INIZCTEOSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271200801 941320960 /nfs/dbraw/zinc/32/09/60/941320960.db2.gz KYSMVDOBBVOFQR-INIZCTEOSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391176 942324307 /nfs/dbraw/zinc/32/43/07/942324307.db2.gz SNHCZNHKEBNIHN-RRFJBIMHSA-N 2 2 318.421 0.610 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391176 942324313 /nfs/dbraw/zinc/32/43/13/942324313.db2.gz SNHCZNHKEBNIHN-RRFJBIMHSA-N 2 2 318.421 0.610 20 30 DCEDLP C#CC[N@@H+](CCOC)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001483819247 942964527 /nfs/dbraw/zinc/96/45/27/942964527.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CC[N@H+](CCOC)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001483819247 942964531 /nfs/dbraw/zinc/96/45/31/942964531.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CC[N@@H+](CCOC)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001483819247 942964537 /nfs/dbraw/zinc/96/45/37/942964537.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CC[N@H+](CCOC)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001483819247 942964541 /nfs/dbraw/zinc/96/45/41/942964541.db2.gz HGEYYUDNHASORS-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C[NH+](C)C)CC1)CO2 ZINC001484801010 943573371 /nfs/dbraw/zinc/57/33/71/943573371.db2.gz KAMYRZDYIGEZTE-AWEZNQCLSA-N 2 2 307.438 0.864 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001485162383 943732316 /nfs/dbraw/zinc/73/23/16/943732316.db2.gz KCRAZEDGHQJFAI-KGLIPLIRSA-N 2 2 319.405 0.765 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001276431776 944168060 /nfs/dbraw/zinc/16/80/60/944168060.db2.gz HDMJQEBZYIYSSD-OCCSQVGLSA-N 2 2 310.442 0.065 20 30 DCEDLP Cn1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cc1C#N ZINC001276608754 944232133 /nfs/dbraw/zinc/23/21/33/944232133.db2.gz UQCGPANZUZLKSO-UHFFFAOYSA-N 2 2 301.438 0.966 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486351297 944810695 /nfs/dbraw/zinc/81/06/95/944810695.db2.gz RQROTQJIOYJNTL-MGPQQGTHSA-N 2 2 306.410 0.461 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486351297 944810702 /nfs/dbraw/zinc/81/07/02/944810702.db2.gz RQROTQJIOYJNTL-MGPQQGTHSA-N 2 2 306.410 0.461 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317245112 944873520 /nfs/dbraw/zinc/87/35/20/944873520.db2.gz DSVKCGQMEHZCHK-NSHDSACASA-N 2 2 315.377 0.573 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317254393 944879673 /nfs/dbraw/zinc/87/96/73/944879673.db2.gz MYCIFGSRPTVTFH-UONOGXRCSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ncccn2)CC1 ZINC001317294649 944905531 /nfs/dbraw/zinc/90/55/31/944905531.db2.gz OHWJNXPTMQQZCQ-AWEZNQCLSA-N 2 2 315.421 0.416 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001277676722 944938953 /nfs/dbraw/zinc/93/89/53/944938953.db2.gz BCVRRYUEYWYHFH-MRXNPFEDSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001277844723 945005489 /nfs/dbraw/zinc/00/54/89/945005489.db2.gz IOWXMZPZAPJNBO-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001277844723 945005503 /nfs/dbraw/zinc/00/55/03/945005503.db2.gz IOWXMZPZAPJNBO-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001251848269 945794991 /nfs/dbraw/zinc/79/49/91/945794991.db2.gz XQNQGKZUWSHDHX-OAHLLOKOSA-N 2 2 304.394 0.226 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001278718835 946115715 /nfs/dbraw/zinc/11/57/15/946115715.db2.gz UJCKGKLKBXIKRC-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253582620 946139141 /nfs/dbraw/zinc/13/91/41/946139141.db2.gz RDYVJYDXQRHFQK-CQSZACIVSA-N 2 2 305.426 0.669 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253582620 946139145 /nfs/dbraw/zinc/13/91/45/946139145.db2.gz RDYVJYDXQRHFQK-CQSZACIVSA-N 2 2 305.426 0.669 20 30 DCEDLP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001278752517 946213350 /nfs/dbraw/zinc/21/33/50/946213350.db2.gz HIZJTOSQFVNZMH-ZDUSSCGKSA-N 2 2 310.348 0.980 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001278761465 946314255 /nfs/dbraw/zinc/31/42/55/946314255.db2.gz FMJKPGUKYOXQFT-HNNXBMFYSA-N 2 2 320.437 0.747 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001278795933 946412228 /nfs/dbraw/zinc/41/22/28/946412228.db2.gz UWODLZMPHQVJGP-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001278795933 946412233 /nfs/dbraw/zinc/41/22/33/946412233.db2.gz UWODLZMPHQVJGP-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273277392 946414737 /nfs/dbraw/zinc/41/47/37/946414737.db2.gz SXTYZKFMGOYFTO-HZPDHXFCSA-N 2 2 318.421 0.921 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323241178 946991010 /nfs/dbraw/zinc/99/10/10/946991010.db2.gz GYRHBUBOHXDTSS-OAHLLOKOSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323241178 946991020 /nfs/dbraw/zinc/99/10/20/946991020.db2.gz GYRHBUBOHXDTSS-OAHLLOKOSA-N 2 2 300.406 0.976 20 30 DCEDLP C=CCO[C@@H]1CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC001323714424 947179078 /nfs/dbraw/zinc/17/90/78/947179078.db2.gz BNEQTYUKFVBXMY-CYBMUJFWSA-N 2 2 322.409 0.237 20 30 DCEDLP C=CCO[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC001323714424 947179083 /nfs/dbraw/zinc/17/90/83/947179083.db2.gz BNEQTYUKFVBXMY-CYBMUJFWSA-N 2 2 322.409 0.237 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)O2 ZINC001273669456 948015332 /nfs/dbraw/zinc/01/53/32/948015332.db2.gz UUMYCWGFJHRKGZ-HNNXBMFYSA-N 2 2 318.421 0.888 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001251850945 948082771 /nfs/dbraw/zinc/08/27/71/948082771.db2.gz AKQNIHYOTNIWNE-QGZVFWFLSA-N 2 2 310.438 0.572 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001251850945 948082777 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FIRKSCYTNAYGMB-ZIAGYGMSSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001403899484 1002707103 /nfs/dbraw/zinc/70/71/03/1002707103.db2.gz FIRKSCYTNAYGMB-ZIAGYGMSSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001403899484 1002707113 /nfs/dbraw/zinc/70/71/13/1002707113.db2.gz FIRKSCYTNAYGMB-ZIAGYGMSSA-N 2 2 317.861 0.974 20 30 DCEDLP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001508181078 1016690877 /nfs/dbraw/zinc/69/08/77/1016690877.db2.gz XWDLPYUKDFQHRG-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1C#N ZINC001441794837 1008507262 /nfs/dbraw/zinc/50/72/62/1008507262.db2.gz UXXNVTDQUGPFTL-BBRMVZONSA-N 2 2 316.405 0.483 20 30 DCEDLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1C#N ZINC001441794837 1008507264 /nfs/dbraw/zinc/50/72/64/1008507264.db2.gz UXXNVTDQUGPFTL-BBRMVZONSA-N 2 2 316.405 0.483 20 30 DCEDLP 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ZINC001494658974 1017924239 /nfs/dbraw/zinc/92/42/39/1017924239.db2.gz NUYBHGUIIIIIPX-GJZGRUSLSA-N 2 2 305.422 0.406 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1 ZINC001494658974 1017924245 /nfs/dbraw/zinc/92/42/45/1017924245.db2.gz NUYBHGUIIIIIPX-GJZGRUSLSA-N 2 2 305.422 0.406 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001499455331 1017940409 /nfs/dbraw/zinc/94/04/09/1017940409.db2.gz GXQRWXLWYNJCJF-GFCCVEGCSA-N 2 2 301.818 0.698 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001499455331 1017940417 /nfs/dbraw/zinc/94/04/17/1017940417.db2.gz GXQRWXLWYNJCJF-GFCCVEGCSA-N 2 2 301.818 0.698 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001499958349 1018152099 /nfs/dbraw/zinc/15/20/99/1018152099.db2.gz RLHUFPVDLXVHBN-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001497663672 1018319156 /nfs/dbraw/zinc/31/91/56/1018319156.db2.gz YUAMAOWQDFNFAY-OGZRUICASA-N 2 2 305.422 0.525 20 30 DCEDLP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001497663672 1018319166 /nfs/dbraw/zinc/31/91/66/1018319166.db2.gz YUAMAOWQDFNFAY-OGZRUICASA-N 2 2 305.422 0.525 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001500382449 1018435994 /nfs/dbraw/zinc/43/59/94/1018435994.db2.gz RERVVFSYUSZVRO-INIZCTEOSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC001480478986 1018574237 /nfs/dbraw/zinc/57/42/37/1018574237.db2.gz CVMHLQICGMHQDF-ZBFHGGJFSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC001480478986 1018574239 /nfs/dbraw/zinc/57/42/39/1018574239.db2.gz CVMHLQICGMHQDF-ZBFHGGJFSA-N 2 2 315.421 0.477 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498028488 1018597689 /nfs/dbraw/zinc/59/76/89/1018597689.db2.gz YRWGOXHVOXQSJR-WDEREUQCSA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498028488 1018597699 /nfs/dbraw/zinc/59/76/99/1018597699.db2.gz YRWGOXHVOXQSJR-WDEREUQCSA-N 2 2 320.231 0.320 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001495707558 1018662129 /nfs/dbraw/zinc/66/21/29/1018662129.db2.gz OZLSTUCHBIUHBK-AWEZNQCLSA-N 2 2 306.410 0.344 20 30 DCEDLP CC[C@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)[NH+](CC)CC ZINC001494103000 1019984573 /nfs/dbraw/zinc/98/45/73/1019984573.db2.gz QNYZZMWRWNWIFT-MRXNPFEDSA-N 2 2 323.485 0.706 20 30 DCEDLP [NH2+]=C(NCC[NH+]1CCC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262769406 238180726 /nfs/dbraw/zinc/18/07/26/238180726.db2.gz HJVNDYNMXITALW-UHFFFAOYSA-N 2 2 305.401 0.968 20 30 DCEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000610581193 396732519 /nfs/dbraw/zinc/73/25/19/396732519.db2.gz LSZRRCZVODWOMU-AVGNSLFASA-N 2 2 302.403 0.876 20 30 DCEDLP C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000329280730 396841712 /nfs/dbraw/zinc/84/17/12/396841712.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 2 309.458 0.386 20 30 DCEDLP C[C@H](NC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000329280730 396841714 /nfs/dbraw/zinc/84/17/14/396841714.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 2 309.458 0.386 20 30 DCEDLP C[C@H](NC(=O)NC[C@H]1CN(C)CC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000329280730 396841718 /nfs/dbraw/zinc/84/17/18/396841718.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 2 309.458 0.386 20 30 DCEDLP C[C@H](NC(=O)NC[C@H]1CN(C)CC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000329280730 396841720 /nfs/dbraw/zinc/84/17/20/396841720.db2.gz DRIMCZXOBJXKMS-ZFWWWQNUSA-N 2 2 309.458 0.386 20 30 DCEDLP COC(=O)CCC[NH+]1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000611409631 396863546 /nfs/dbraw/zinc/86/35/46/396863546.db2.gz FDVZZHGWRREPAO-UHFFFAOYSA-N 2 2 322.453 0.982 20 30 DCEDLP CC(C)[C@@H](C#N)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000619780489 397190868 /nfs/dbraw/zinc/19/08/68/397190868.db2.gz PRTMPXOIYULSFG-MRXNPFEDSA-N 2 2 321.469 0.316 20 30 DCEDLP C[NH+]1CCN(C[C@H]2C[N@H+](C[C@H](O)CC(C)(C)C#N)CCO2)CC1 ZINC000598589577 397252060 /nfs/dbraw/zinc/25/20/60/397252060.db2.gz UAVMHJGLRAHPFX-CVEARBPZSA-N 2 2 324.469 0.235 20 30 DCEDLP C[NH+]1CCN(C[C@H]2C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCO2)CC1 ZINC000598589577 397252064 /nfs/dbraw/zinc/25/20/64/397252064.db2.gz UAVMHJGLRAHPFX-CVEARBPZSA-N 2 2 324.469 0.235 20 30 DCEDLP N#CC[C@]1(O)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852935 397502353 /nfs/dbraw/zinc/50/23/53/397502353.db2.gz UNSQSVSGGCMXKD-ZWKOTPCHSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@]1(O)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852935 397502356 /nfs/dbraw/zinc/50/23/56/397502356.db2.gz UNSQSVSGGCMXKD-ZWKOTPCHSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@]1(O)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602852935 397502360 /nfs/dbraw/zinc/50/23/60/397502360.db2.gz UNSQSVSGGCMXKD-ZWKOTPCHSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@]1(O)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602852935 397502363 /nfs/dbraw/zinc/50/23/63/397502363.db2.gz UNSQSVSGGCMXKD-ZWKOTPCHSA-N 2 2 315.417 0.974 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290245049 335070572 /nfs/dbraw/zinc/07/05/72/335070572.db2.gz VVMCRJDGCOKJFW-OAHLLOKOSA-N 2 2 300.406 0.921 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763153 415318695 /nfs/dbraw/zinc/31/86/95/415318695.db2.gz SDHQKDWMHPRYNQ-HNNXBMFYSA-N 2 2 322.453 0.281 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244378 415692798 /nfs/dbraw/zinc/69/27/98/415692798.db2.gz XLMNDALVPLXGQS-GFCCVEGCSA-N 2 2 305.382 0.920 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCOCC1 ZINC000112921565 415714803 /nfs/dbraw/zinc/71/48/03/415714803.db2.gz XEPJSCFVGSHEFG-UHFFFAOYSA-N 2 2 322.453 0.791 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C#N)CCOCC1 ZINC000112921565 415714812 /nfs/dbraw/zinc/71/48/12/415714812.db2.gz XEPJSCFVGSHEFG-UHFFFAOYSA-N 2 2 322.453 0.791 20 30 DCEDLP C[C@@H](O)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000419798935 416413287 /nfs/dbraw/zinc/41/32/87/416413287.db2.gz YQKGXEAVOOZNLR-CXAGYDPISA-N 2 2 303.406 0.854 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000491505241 416603969 /nfs/dbraw/zinc/60/39/69/416603969.db2.gz KTOAUFFBICPUGH-MRXNPFEDSA-N 2 2 321.490 0.981 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000491505241 416603973 /nfs/dbraw/zinc/60/39/73/416603973.db2.gz KTOAUFFBICPUGH-MRXNPFEDSA-N 2 2 321.490 0.981 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000490865906 416576372 /nfs/dbraw/zinc/57/63/72/416576372.db2.gz JXDQBBAXTITTIH-IYBDPMFKSA-N 2 2 306.406 0.738 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)OCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000490865906 416576376 /nfs/dbraw/zinc/57/63/76/416576376.db2.gz JXDQBBAXTITTIH-IYBDPMFKSA-N 2 2 306.406 0.738 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000491728894 416620486 /nfs/dbraw/zinc/62/04/86/416620486.db2.gz JHURWILZVHKWJH-JKSUJKDBSA-N 2 2 305.422 0.122 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000491728894 416620489 /nfs/dbraw/zinc/62/04/89/416620489.db2.gz JHURWILZVHKWJH-JKSUJKDBSA-N 2 2 305.422 0.122 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COC[C@H]3O)CC2)cc1 ZINC000295693016 225130622 /nfs/dbraw/zinc/13/06/22/225130622.db2.gz SVIBXXABDDQVSU-IAGOWNOFSA-N 2 2 301.390 0.872 20 30 DCEDLP CC#CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645294735 417727183 /nfs/dbraw/zinc/72/71/83/417727183.db2.gz JSAUKCTXICZNQD-GJZGRUSLSA-N 2 2 322.453 0.228 20 30 DCEDLP CC#CC[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645294735 417727188 /nfs/dbraw/zinc/72/71/88/417727188.db2.gz JSAUKCTXICZNQD-GJZGRUSLSA-N 2 2 322.453 0.228 20 30 DCEDLP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737464 417880428 /nfs/dbraw/zinc/88/04/28/417880428.db2.gz ZOVXPSZDLHLHEU-MAUKXSAKSA-N 3 2 320.481 0.969 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659809372 418182709 /nfs/dbraw/zinc/18/27/09/418182709.db2.gz DBQQQOIHIQOZFL-CALCHBBNSA-N 2 2 322.497 0.884 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659809372 418182713 /nfs/dbraw/zinc/18/27/13/418182713.db2.gz DBQQQOIHIQOZFL-CALCHBBNSA-N 2 2 322.497 0.884 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CSC)C2)CC1 ZINC000491640573 333133138 /nfs/dbraw/zinc/13/31/38/333133138.db2.gz YJZRPPCNKUKRDQ-HNNXBMFYSA-N 2 2 309.479 0.839 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CSC)C2)CC1 ZINC000491640573 333133139 /nfs/dbraw/zinc/13/31/39/333133139.db2.gz YJZRPPCNKUKRDQ-HNNXBMFYSA-N 2 2 309.479 0.839 20 30 DCEDLP CC(C)(C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000330171104 336120524 /nfs/dbraw/zinc/12/05/24/336120524.db2.gz FCWKENSLJXTXLE-ZDUSSCGKSA-N 2 2 321.425 0.812 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583760830 337330868 /nfs/dbraw/zinc/33/08/68/337330868.db2.gz SJEIYZZOIJUOEO-CZUORRHYSA-N 2 2 318.425 0.975 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153967393 526536943 /nfs/dbraw/zinc/53/69/43/526536943.db2.gz AUZCITMDCMYICE-IYBDPMFKSA-N 2 2 308.470 0.779 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153967393 526536947 /nfs/dbraw/zinc/53/69/47/526536947.db2.gz AUZCITMDCMYICE-IYBDPMFKSA-N 2 2 308.470 0.779 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246619604 526594067 /nfs/dbraw/zinc/59/40/67/526594067.db2.gz QKGMXHIGZVOCDL-QWHCGFSZSA-N 2 2 305.382 0.778 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246619604 526594075 /nfs/dbraw/zinc/59/40/75/526594075.db2.gz QKGMXHIGZVOCDL-QWHCGFSZSA-N 2 2 305.382 0.778 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676245300 547752650 /nfs/dbraw/zinc/75/26/50/547752650.db2.gz GXQBESAZDLRNKD-HIFRSBDPSA-N 2 2 310.442 0.655 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676245300 547752655 /nfs/dbraw/zinc/75/26/55/547752655.db2.gz GXQBESAZDLRNKD-HIFRSBDPSA-N 2 2 310.442 0.655 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978356061 660526800 /nfs/dbraw/zinc/52/68/00/660526800.db2.gz CIECQMASLWXOAO-QSPRXWTASA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978356061 660526801 /nfs/dbraw/zinc/52/68/01/660526801.db2.gz CIECQMASLWXOAO-QSPRXWTASA-N 2 2 312.417 0.763 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641829 658145426 /nfs/dbraw/zinc/14/54/26/658145426.db2.gz YKGSNQOAHZLSMF-QGZVFWFLSA-N 2 2 305.422 0.572 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641829 658145430 /nfs/dbraw/zinc/14/54/30/658145430.db2.gz YKGSNQOAHZLSMF-QGZVFWFLSA-N 2 2 305.422 0.572 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000970141141 658553728 /nfs/dbraw/zinc/55/37/28/658553728.db2.gz XIXRXNCYSNRWMT-OAHLLOKOSA-N 2 2 305.422 0.455 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402993 658721485 /nfs/dbraw/zinc/72/14/85/658721485.db2.gz ZBOSFPMBAFCBSF-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402993 658721488 /nfs/dbraw/zinc/72/14/88/658721488.db2.gz ZBOSFPMBAFCBSF-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402993 658721493 /nfs/dbraw/zinc/72/14/93/658721493.db2.gz ZBOSFPMBAFCBSF-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402993 658721496 /nfs/dbraw/zinc/72/14/96/658721496.db2.gz ZBOSFPMBAFCBSF-AEFFLSMTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571715 658816851 /nfs/dbraw/zinc/81/68/51/658816851.db2.gz YZNYYCHRONZIRL-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571715 658816867 /nfs/dbraw/zinc/81/68/67/658816867.db2.gz YZNYYCHRONZIRL-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571715 658816880 /nfs/dbraw/zinc/81/68/80/658816880.db2.gz YZNYYCHRONZIRL-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571715 658816896 /nfs/dbraw/zinc/81/68/96/658816896.db2.gz YZNYYCHRONZIRL-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970324992 658863047 /nfs/dbraw/zinc/86/30/47/658863047.db2.gz BSTHETBBVMRLNL-GDBMZVCRSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970324992 658863049 /nfs/dbraw/zinc/86/30/49/658863049.db2.gz BSTHETBBVMRLNL-GDBMZVCRSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001026408306 659310046 /nfs/dbraw/zinc/31/00/46/659310046.db2.gz CUMRPJYXUKNDDV-CWRNSKLLSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999793495 665684445 /nfs/dbraw/zinc/68/44/45/665684445.db2.gz QNSZCSASTJLGTF-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999793495 665684446 /nfs/dbraw/zinc/68/44/46/665684446.db2.gz QNSZCSASTJLGTF-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641165 661713770 /nfs/dbraw/zinc/71/37/70/661713770.db2.gz CBZIINWWLFGJRZ-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641165 661713773 /nfs/dbraw/zinc/71/37/73/661713773.db2.gz CBZIINWWLFGJRZ-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810924 661834890 /nfs/dbraw/zinc/83/48/90/661834890.db2.gz FKFKADCEDXFRAV-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001028810924 661834892 /nfs/dbraw/zinc/83/48/92/661834892.db2.gz FKFKADCEDXFRAV-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP C/C(=C\C(=O)N(CCC#N)CCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900377796 663239079 /nfs/dbraw/zinc/23/90/79/663239079.db2.gz FTJFOUVMPREMBI-JQIJEIRASA-N 2 2 322.453 0.959 20 30 DCEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000950380895 664428667 /nfs/dbraw/zinc/42/86/67/664428667.db2.gz ATHNYZMGGGGAJE-HOCLYGCPSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950380895 664428668 /nfs/dbraw/zinc/42/86/68/664428668.db2.gz ATHNYZMGGGGAJE-HOCLYGCPSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032828536 666231474 /nfs/dbraw/zinc/23/14/74/666231474.db2.gz GTMWDRFEAVVAOK-ZNMIVQPWSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032828536 666231475 /nfs/dbraw/zinc/23/14/75/666231475.db2.gz GTMWDRFEAVVAOK-ZNMIVQPWSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828536 666231477 /nfs/dbraw/zinc/23/14/77/666231477.db2.gz GTMWDRFEAVVAOK-ZNMIVQPWSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828536 666231478 /nfs/dbraw/zinc/23/14/78/666231478.db2.gz GTMWDRFEAVVAOK-ZNMIVQPWSA-N 2 2 320.437 0.058 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001032837209 666288923 /nfs/dbraw/zinc/28/89/23/666288923.db2.gz KDOQPRQQWLFMPK-IKGGRYGDSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001032837209 666288925 /nfs/dbraw/zinc/28/89/25/666288925.db2.gz KDOQPRQQWLFMPK-IKGGRYGDSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001032837209 666288926 /nfs/dbraw/zinc/28/89/26/666288926.db2.gz KDOQPRQQWLFMPK-IKGGRYGDSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001032837209 666288928 /nfs/dbraw/zinc/28/89/28/666288928.db2.gz KDOQPRQQWLFMPK-IKGGRYGDSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033096557 666503124 /nfs/dbraw/zinc/50/31/24/666503124.db2.gz MXUOQTZGHWCQEC-BBRMVZONSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033096557 666503127 /nfs/dbraw/zinc/50/31/27/666503127.db2.gz MXUOQTZGHWCQEC-BBRMVZONSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033096557 666503131 /nfs/dbraw/zinc/50/31/31/666503131.db2.gz MXUOQTZGHWCQEC-BBRMVZONSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(C)C)CCO1 ZINC001035401792 667325583 /nfs/dbraw/zinc/32/55/83/667325583.db2.gz FQHGJGAWSGSFRW-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)CCO1 ZINC001035401792 667325585 /nfs/dbraw/zinc/32/55/85/667325585.db2.gz FQHGJGAWSGSFRW-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(C)C)CCO1 ZINC001035401792 667325588 /nfs/dbraw/zinc/32/55/88/667325588.db2.gz FQHGJGAWSGSFRW-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(C)C)CCO1 ZINC001035401792 667325591 /nfs/dbraw/zinc/32/55/91/667325591.db2.gz FQHGJGAWSGSFRW-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035488961 667356733 /nfs/dbraw/zinc/35/67/33/667356733.db2.gz WLZAJSFNQUQKOA-HNNXBMFYSA-N 2 2 319.405 0.795 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035488961 667356734 /nfs/dbraw/zinc/35/67/34/667356734.db2.gz WLZAJSFNQUQKOA-HNNXBMFYSA-N 2 2 319.405 0.795 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035855528 667414767 /nfs/dbraw/zinc/41/47/67/667414767.db2.gz OIMJQHZDWSRPLZ-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035855528 667414768 /nfs/dbraw/zinc/41/47/68/667414768.db2.gz OIMJQHZDWSRPLZ-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000884226634 667503923 /nfs/dbraw/zinc/50/39/23/667503923.db2.gz XQMYDFRTFWNBFX-IHRRRGAJSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000884226634 667503924 /nfs/dbraw/zinc/50/39/24/667503924.db2.gz XQMYDFRTFWNBFX-IHRRRGAJSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300606 667518693 /nfs/dbraw/zinc/51/86/93/667518693.db2.gz CXONDSATFOWBOM-RDBSUJKOSA-N 2 2 309.410 0.281 20 30 DCEDLP C[C@@H]1C[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)CO1 ZINC000884401295 667538290 /nfs/dbraw/zinc/53/82/90/667538290.db2.gz KJPBFJQQOZFEHY-AQPXSAIXSA-N 2 2 320.437 0.351 20 30 DCEDLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)CO1 ZINC000884401295 667538291 /nfs/dbraw/zinc/53/82/91/667538291.db2.gz KJPBFJQQOZFEHY-AQPXSAIXSA-N 2 2 320.437 0.351 20 30 DCEDLP C[C@@H]1C[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)CO1 ZINC000884401297 667538346 /nfs/dbraw/zinc/53/83/46/667538346.db2.gz KJPBFJQQOZFEHY-XDFMGDNLSA-N 2 2 320.437 0.351 20 30 DCEDLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)CO1 ZINC000884401297 667538348 /nfs/dbraw/zinc/53/83/48/667538348.db2.gz KJPBFJQQOZFEHY-XDFMGDNLSA-N 2 2 320.437 0.351 20 30 DCEDLP C(=NNC1=[NH+]CCN1)c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000872386042 667893386 /nfs/dbraw/zinc/89/33/86/667893386.db2.gz YNRGRNMXDDDWNO-UHFFFAOYSA-N 2 2 317.393 0.280 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889748072 667987506 /nfs/dbraw/zinc/98/75/06/667987506.db2.gz DIAJYEWCWGUVKK-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889748072 667987509 /nfs/dbraw/zinc/98/75/09/667987509.db2.gz DIAJYEWCWGUVKK-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000889748072 667987511 /nfs/dbraw/zinc/98/75/11/667987511.db2.gz DIAJYEWCWGUVKK-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000889748072 667987514 /nfs/dbraw/zinc/98/75/14/667987514.db2.gz DIAJYEWCWGUVKK-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000876801765 668513595 /nfs/dbraw/zinc/51/35/95/668513595.db2.gz ILXLJIOVTJJFSH-KXUCPTDWSA-N 2 2 301.272 0.604 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000876886047 668528703 /nfs/dbraw/zinc/52/87/03/668528703.db2.gz RCLCUFKFOWBAGA-NEPJUHHUSA-N 2 2 317.817 0.552 20 30 DCEDLP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001752433667 1157969638 /nfs/dbraw/zinc/96/96/38/1157969638.db2.gz OLUTVBHWANYEIU-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001752433667 1157969644 /nfs/dbraw/zinc/96/96/44/1157969644.db2.gz OLUTVBHWANYEIU-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)CC2)[nH+]c1 ZINC000834491057 671764415 /nfs/dbraw/zinc/76/44/15/671764415.db2.gz ZOLXPDNBPUEJEW-HUUCEWRRSA-N 2 2 313.405 0.834 20 30 DCEDLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368706 672177515 /nfs/dbraw/zinc/17/75/15/672177515.db2.gz TWRBMMGHLGEFNW-SJORKVTESA-N 2 2 303.406 0.980 20 30 DCEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844368706 672177517 /nfs/dbraw/zinc/17/75/17/672177517.db2.gz TWRBMMGHLGEFNW-SJORKVTESA-N 2 2 303.406 0.980 20 30 DCEDLP 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ZINC001716970403 1182607131 /nfs/dbraw/zinc/60/71/31/1182607131.db2.gz WQRQFNPDDBUIET-UONOGXRCSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001717189057 1182720788 /nfs/dbraw/zinc/72/07/88/1182720788.db2.gz BFYLUFNPVIQGDU-INIZCTEOSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001717189057 1182720794 /nfs/dbraw/zinc/72/07/94/1182720794.db2.gz BFYLUFNPVIQGDU-INIZCTEOSA-N 2 2 306.454 0.178 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001717220195 1182736851 /nfs/dbraw/zinc/73/68/51/1182736851.db2.gz SZWRKORZKHETAE-OAHLLOKOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001717220195 1182736857 /nfs/dbraw/zinc/73/68/57/1182736857.db2.gz SZWRKORZKHETAE-OAHLLOKOSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001717368527 1182806059 /nfs/dbraw/zinc/80/60/59/1182806059.db2.gz CSOKADMJOFWJJP-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001717368527 1182806066 /nfs/dbraw/zinc/80/60/66/1182806066.db2.gz CSOKADMJOFWJJP-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001717585614 1182912491 /nfs/dbraw/zinc/91/24/91/1182912491.db2.gz URHOLTFPPRCVQR-KBPBESRZSA-N 2 2 324.469 0.455 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001717585614 1182912495 /nfs/dbraw/zinc/91/24/95/1182912495.db2.gz URHOLTFPPRCVQR-KBPBESRZSA-N 2 2 324.469 0.455 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724223559 1184403014 /nfs/dbraw/zinc/40/30/14/1184403014.db2.gz RTJWFWOOYDDFKR-QGZVFWFLSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724223559 1184403017 /nfs/dbraw/zinc/40/30/17/1184403017.db2.gz RTJWFWOOYDDFKR-QGZVFWFLSA-N 2 2 318.421 0.820 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001724902291 1184611256 /nfs/dbraw/zinc/61/12/56/1184611256.db2.gz APKQVYNIHTZWNX-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001731403249 1185317609 /nfs/dbraw/zinc/31/76/09/1185317609.db2.gz SKNANEXEICCPRW-IAGOWNOFSA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001731403249 1185317617 /nfs/dbraw/zinc/31/76/17/1185317617.db2.gz SKNANEXEICCPRW-IAGOWNOFSA-N 2 2 319.449 0.747 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001732063958 1185653765 /nfs/dbraw/zinc/65/37/65/1185653765.db2.gz WXHRTJMMCHNTSR-UHFFFAOYSA-N 2 2 307.442 0.070 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C[N@@H+](C)C1CCC1 ZINC001732063958 1185653769 /nfs/dbraw/zinc/65/37/69/1185653769.db2.gz WXHRTJMMCHNTSR-UHFFFAOYSA-N 2 2 307.442 0.070 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cnoc1C ZINC001732585670 1185859508 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C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733223916 1186189018 /nfs/dbraw/zinc/18/90/18/1186189018.db2.gz QKBXUDDBYCBDGR-UONOGXRCSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733223916 1186189021 /nfs/dbraw/zinc/18/90/21/1186189021.db2.gz QKBXUDDBYCBDGR-UONOGXRCSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCOC)CC1 ZINC001733373409 1186245042 /nfs/dbraw/zinc/24/50/42/1186245042.db2.gz VKKATDQQQLWNPB-UHFFFAOYSA-N 2 2 304.394 0.525 20 30 DCEDLP C=C(C)CC[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001733917646 1186497701 /nfs/dbraw/zinc/49/77/01/1186497701.db2.gz ABVFROUVYIFOEA-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP COCC#CC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001734012042 1186521280 /nfs/dbraw/zinc/52/12/80/1186521280.db2.gz PEXQNULNLJTSDK-UHFFFAOYSA-N 2 2 318.421 0.961 20 30 DCEDLP CC#CC[NH2+][C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001734371717 1186629774 /nfs/dbraw/zinc/62/97/74/1186629774.db2.gz RSOSFVNKUCTBSX-HNNXBMFYSA-N 2 2 312.373 0.576 20 30 DCEDLP C=CCN1CC[NH+](CCN(C)C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001753343605 1186998982 /nfs/dbraw/zinc/99/89/82/1186998982.db2.gz XJJGKHSLMMSEJJ-UHFFFAOYSA-N 2 2 308.470 0.590 20 30 DCEDLP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001752433666 1188422425 /nfs/dbraw/zinc/42/24/25/1188422425.db2.gz OLUTVBHWANYEIU-INIZCTEOSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001752433666 1188422428 /nfs/dbraw/zinc/42/24/28/1188422428.db2.gz OLUTVBHWANYEIU-INIZCTEOSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001752470695 1188424574 /nfs/dbraw/zinc/42/45/74/1188424574.db2.gz ICAQOHGSFQTYFD-GJZGRUSLSA-N 2 2 300.406 0.953 20 30 DCEDLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CC[N@@H+]1C ZINC001753343213 1188568639 /nfs/dbraw/zinc/56/86/39/1188568639.db2.gz JOSBYVGWXYNODO-HOTGVXAUSA-N 2 2 321.469 0.316 20 30 DCEDLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCN(CC#N)CC2)CC[N@H+]1C ZINC001753343213 1188568641 /nfs/dbraw/zinc/56/86/41/1188568641.db2.gz JOSBYVGWXYNODO-HOTGVXAUSA-N 2 2 321.469 0.316 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001753918686 1188682070 /nfs/dbraw/zinc/68/20/70/1188682070.db2.gz AEDMOQOTHMOKAA-CQSZACIVSA-N 2 2 306.410 0.405 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnsn1 ZINC001754376713 1188837036 /nfs/dbraw/zinc/83/70/36/1188837036.db2.gz LOXLYHONBAWPNI-AWEZNQCLSA-N 2 2 321.450 0.574 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnsn1 ZINC001754376713 1188837040 /nfs/dbraw/zinc/83/70/40/1188837040.db2.gz LOXLYHONBAWPNI-AWEZNQCLSA-N 2 2 321.450 0.574 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001754518774 1188872892 /nfs/dbraw/zinc/87/28/92/1188872892.db2.gz HOTSBCQTOJPSGP-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001754594960 1188886566 /nfs/dbraw/zinc/88/65/66/1188886566.db2.gz IUAAAGLTRRVEHN-LSDHHAIUSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001754594960 1188886570 /nfs/dbraw/zinc/88/65/70/1188886570.db2.gz IUAAAGLTRRVEHN-LSDHHAIUSA-N 2 2 318.421 0.961 20 30 DCEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCCO)CC1 ZINC001754639620 1188895610 /nfs/dbraw/zinc/89/56/10/1188895610.db2.gz PPFJGOCMZRCWJC-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001755004539 1188993601 /nfs/dbraw/zinc/99/36/01/1188993601.db2.gz HYSJVUYSZSEOMT-CABCVRRESA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001755058964 1189009072 /nfs/dbraw/zinc/00/90/72/1189009072.db2.gz MLJXOSXVGISMGA-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001755058964 1189009078 /nfs/dbraw/zinc/00/90/78/1189009078.db2.gz MLJXOSXVGISMGA-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001755605404 1189157454 /nfs/dbraw/zinc/15/74/54/1189157454.db2.gz DDXCGBDROBOGMJ-VXGBXAGGSA-N 2 2 307.398 0.079 20 30 DCEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001755632541 1189167197 /nfs/dbraw/zinc/16/71/97/1189167197.db2.gz URFQYSPZPDVCSG-HUUCEWRRSA-N 2 2 306.410 0.560 20 30 DCEDLP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001755874644 1189242329 /nfs/dbraw/zinc/24/23/29/1189242329.db2.gz QITSYLGGEGWIAY-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCO ZINC001089652958 751506499 /nfs/dbraw/zinc/50/64/99/751506499.db2.gz MKOLTLSRLVJXQK-CVEARBPZSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[NH+]1CCO ZINC001089652958 751506502 /nfs/dbraw/zinc/50/65/02/751506502.db2.gz MKOLTLSRLVJXQK-CVEARBPZSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCO ZINC001089652958 751506507 /nfs/dbraw/zinc/50/65/07/751506507.db2.gz MKOLTLSRLVJXQK-CVEARBPZSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCO ZINC001089652958 751506511 /nfs/dbraw/zinc/50/65/11/751506511.db2.gz MKOLTLSRLVJXQK-CVEARBPZSA-N 2 2 321.465 0.683 20 30 DCEDLP N#Cc1ccc(-c2noc([C@H](N)C[NH+]3CCC([NH3+])CC3)n2)nc1 ZINC001212315197 751572984 /nfs/dbraw/zinc/57/29/84/751572984.db2.gz UXGCOWNMHHQWAR-GFCCVEGCSA-N 2 2 313.365 0.426 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785866 752084790 /nfs/dbraw/zinc/08/47/90/752084790.db2.gz RLWPENSZWVQHIC-UHFFFAOYSA-N 2 2 304.394 0.118 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584152 747580096 /nfs/dbraw/zinc/58/00/96/747580096.db2.gz MLJHMBPFAKRMLQ-UHFFFAOYSA-N 2 2 304.394 0.192 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584152 747580097 /nfs/dbraw/zinc/58/00/97/747580097.db2.gz MLJHMBPFAKRMLQ-UHFFFAOYSA-N 2 2 304.394 0.192 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656291 752217454 /nfs/dbraw/zinc/21/74/54/752217454.db2.gz FDZOYRPUKFQAOG-IACUBPJLSA-N 2 2 304.394 0.567 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656291 752217461 /nfs/dbraw/zinc/21/74/61/752217461.db2.gz FDZOYRPUKFQAOG-IACUBPJLSA-N 2 2 304.394 0.567 20 30 DCEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001105334751 748157008 /nfs/dbraw/zinc/15/70/08/748157008.db2.gz MNBOLCMRTGWVNV-UHFFFAOYSA-N 2 2 315.381 0.293 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077274904 750310239 /nfs/dbraw/zinc/31/02/39/750310239.db2.gz IPLWFIVXLRRZNM-ZIAGYGMSSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001077274904 750310246 /nfs/dbraw/zinc/31/02/46/750310246.db2.gz IPLWFIVXLRRZNM-ZIAGYGMSSA-N 2 2 308.382 0.087 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046924953 751317503 /nfs/dbraw/zinc/31/75/03/751317503.db2.gz GUIBGSPOSYSQJZ-QWHCGFSZSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046924953 751317508 /nfs/dbraw/zinc/31/75/08/751317508.db2.gz GUIBGSPOSYSQJZ-QWHCGFSZSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924953 751317515 /nfs/dbraw/zinc/31/75/15/751317515.db2.gz GUIBGSPOSYSQJZ-QWHCGFSZSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924953 751317521 /nfs/dbraw/zinc/31/75/21/751317521.db2.gz GUIBGSPOSYSQJZ-QWHCGFSZSA-N 2 2 315.364 0.024 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949566 752584085 /nfs/dbraw/zinc/58/40/85/752584085.db2.gz OYSKKACVHXPNSS-RDJZCZTQSA-N 2 2 307.438 0.721 20 30 DCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949566 752584092 /nfs/dbraw/zinc/58/40/92/752584092.db2.gz OYSKKACVHXPNSS-RDJZCZTQSA-N 2 2 307.438 0.721 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)O2 ZINC001053602359 756115726 /nfs/dbraw/zinc/11/57/26/756115726.db2.gz HHYCCSQCKJDALG-QLFBSQMISA-N 2 2 307.438 0.862 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053602359 756115727 /nfs/dbraw/zinc/11/57/27/756115727.db2.gz HHYCCSQCKJDALG-QLFBSQMISA-N 2 2 307.438 0.862 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)CO2 ZINC001053822288 756223143 /nfs/dbraw/zinc/22/31/43/756223143.db2.gz KLESTQWRGHEOMD-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822288 756223146 /nfs/dbraw/zinc/22/31/46/756223146.db2.gz KLESTQWRGHEOMD-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](C)CC1)CO2 ZINC001053913551 756274910 /nfs/dbraw/zinc/27/49/10/756274910.db2.gz SPYSENONXYRGRQ-OAHLLOKOSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054228625 756412152 /nfs/dbraw/zinc/41/21/52/756412152.db2.gz VBQBUFNRFWHNFI-QGZVFWFLSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054228625 756412156 /nfs/dbraw/zinc/41/21/56/756412156.db2.gz VBQBUFNRFWHNFI-QGZVFWFLSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001081867565 756826750 /nfs/dbraw/zinc/82/67/50/756826750.db2.gz YUHCJRDVUPFBNG-RRFJBIMHSA-N 2 2 316.405 0.284 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001081867565 756826759 /nfs/dbraw/zinc/82/67/59/756826759.db2.gz YUHCJRDVUPFBNG-RRFJBIMHSA-N 2 2 316.405 0.284 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087686 757485772 /nfs/dbraw/zinc/48/57/72/757485772.db2.gz YETBUDFHQNSPLG-VVLHAWIVSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087686 757485779 /nfs/dbraw/zinc/48/57/79/757485779.db2.gz YETBUDFHQNSPLG-VVLHAWIVSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087686 757485781 /nfs/dbraw/zinc/48/57/81/757485781.db2.gz YETBUDFHQNSPLG-VVLHAWIVSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087686 757485785 /nfs/dbraw/zinc/48/57/85/757485785.db2.gz YETBUDFHQNSPLG-VVLHAWIVSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001084805774 758048735 /nfs/dbraw/zinc/04/87/35/758048735.db2.gz FQSVBVQXYYIALD-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001084805774 758048745 /nfs/dbraw/zinc/04/87/45/758048745.db2.gz FQSVBVQXYYIALD-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CC1 ZINC001052036879 759133509 /nfs/dbraw/zinc/13/35/09/759133509.db2.gz WTHOXCBEONKQHW-HOTGVXAUSA-N 2 2 319.453 0.069 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081480 759165178 /nfs/dbraw/zinc/16/51/78/759165178.db2.gz BYDTULKEBPAOQU-SJORKVTESA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081480 759165182 /nfs/dbraw/zinc/16/51/82/759165182.db2.gz BYDTULKEBPAOQU-SJORKVTESA-N 2 2 318.465 0.322 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070185255 761126541 /nfs/dbraw/zinc/12/65/41/761126541.db2.gz LYTPNQRCLJLXJH-OLZOCXBDSA-N 2 2 315.381 0.162 20 30 DCEDLP COCC#CC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672768 768030838 /nfs/dbraw/zinc/03/08/38/768030838.db2.gz LBIVNESYKPOWDG-UHFFFAOYSA-N 2 2 316.405 0.445 20 30 DCEDLP COCC#CC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672768 768030841 /nfs/dbraw/zinc/03/08/41/768030841.db2.gz LBIVNESYKPOWDG-UHFFFAOYSA-N 2 2 316.405 0.445 20 30 DCEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245590 761734891 /nfs/dbraw/zinc/73/48/91/761734891.db2.gz GHHSXFPNSVLENU-DOTOQJQBSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245590 761734895 /nfs/dbraw/zinc/73/48/95/761734895.db2.gz GHHSXFPNSVLENU-DOTOQJQBSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098773279 762728651 /nfs/dbraw/zinc/72/86/51/762728651.db2.gz CQAJQNVSZWDYKC-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098773279 762728655 /nfs/dbraw/zinc/72/86/55/762728655.db2.gz CQAJQNVSZWDYKC-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773279 762728661 /nfs/dbraw/zinc/72/86/61/762728661.db2.gz CQAJQNVSZWDYKC-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773279 762728665 /nfs/dbraw/zinc/72/86/65/762728665.db2.gz CQAJQNVSZWDYKC-UXLLHSPISA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001099279601 762854042 /nfs/dbraw/zinc/85/40/42/762854042.db2.gz MLBJUOWEXQQQCB-VXGBXAGGSA-N 2 2 314.311 0.804 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872588 763092463 /nfs/dbraw/zinc/09/24/63/763092463.db2.gz WWGDXFZQIXPVCA-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872588 763092470 /nfs/dbraw/zinc/09/24/70/763092470.db2.gz WWGDXFZQIXPVCA-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872588 763092473 /nfs/dbraw/zinc/09/24/73/763092473.db2.gz WWGDXFZQIXPVCA-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872588 763092477 /nfs/dbraw/zinc/09/24/77/763092477.db2.gz WWGDXFZQIXPVCA-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100074094 763284331 /nfs/dbraw/zinc/28/43/31/763284331.db2.gz JFRGUEYPILTOKG-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100074094 763284339 /nfs/dbraw/zinc/28/43/39/763284339.db2.gz JFRGUEYPILTOKG-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001100456806 763588921 /nfs/dbraw/zinc/58/89/21/763588921.db2.gz CJTXUHSXLKGESL-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)c1nccn12 ZINC001101633075 764208394 /nfs/dbraw/zinc/20/83/94/764208394.db2.gz YDCJBPRSVGYYQS-ZIAGYGMSSA-N 2 2 317.437 0.981 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133354752 764941169 /nfs/dbraw/zinc/94/11/69/764941169.db2.gz RJIPGIPQDYXFGU-JKSUJKDBSA-N 2 2 318.421 0.607 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1nccn12 ZINC001092412955 768300699 /nfs/dbraw/zinc/30/06/99/768300699.db2.gz MNSOMGZEIUEQQH-KBPBESRZSA-N 2 2 315.421 0.593 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1nccn12 ZINC001092412955 768300705 /nfs/dbraw/zinc/30/07/05/768300705.db2.gz MNSOMGZEIUEQQH-KBPBESRZSA-N 2 2 315.421 0.593 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135055365 765773860 /nfs/dbraw/zinc/77/38/60/765773860.db2.gz DDIKEGGFPVAJGN-LSDHHAIUSA-N 2 2 320.437 0.875 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031946 766215129 /nfs/dbraw/zinc/21/51/29/766215129.db2.gz UAPDEDLQLXTGKM-NEPJUHHUSA-N 2 2 321.425 0.436 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090765847 766569064 /nfs/dbraw/zinc/56/90/64/766569064.db2.gz YPSYAKCGTFTVSX-ZFWWWQNUSA-N 2 2 306.410 0.778 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090765847 766569071 /nfs/dbraw/zinc/56/90/71/766569071.db2.gz YPSYAKCGTFTVSX-ZFWWWQNUSA-N 2 2 306.410 0.778 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001091309949 767135585 /nfs/dbraw/zinc/13/55/85/767135585.db2.gz ZJJZMRSSLAJAKB-UHFFFAOYSA-N 2 2 309.373 0.999 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146779302 767521437 /nfs/dbraw/zinc/52/14/37/767521437.db2.gz NHSRRBMJFVTETD-STQMWFEESA-N 2 2 307.398 0.058 20 30 DCEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001093598441 768655126 /nfs/dbraw/zinc/65/51/26/768655126.db2.gz NIIIEJSIHSEYIP-UHFFFAOYSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001160209298 772008761 /nfs/dbraw/zinc/00/87/61/772008761.db2.gz GUCZIANIFHFFIH-JSGCOSHPSA-N 2 2 319.409 0.633 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001160209298 772008766 /nfs/dbraw/zinc/00/87/66/772008766.db2.gz GUCZIANIFHFFIH-JSGCOSHPSA-N 2 2 319.409 0.633 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221793 772017665 /nfs/dbraw/zinc/01/76/65/772017665.db2.gz POYSXLSVEUJODE-UONOGXRCSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221793 772017669 /nfs/dbraw/zinc/01/76/69/772017669.db2.gz POYSXLSVEUJODE-UONOGXRCSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC001160432188 772036908 /nfs/dbraw/zinc/03/69/08/772036908.db2.gz NZFJYCAAFGZPPO-KBPBESRZSA-N 2 2 310.442 0.195 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186512483 772050721 /nfs/dbraw/zinc/05/07/21/772050721.db2.gz LLXNPOJMNMKMTA-CQSZACIVSA-N 2 2 316.405 0.430 20 30 DCEDLP N#Cc1cc([N+](=O)[O-])cnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160509825 772052476 /nfs/dbraw/zinc/05/24/76/772052476.db2.gz BBSXNZSYVYBNAD-AWEZNQCLSA-N 2 2 302.338 0.696 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161308470 772200661 /nfs/dbraw/zinc/20/06/61/772200661.db2.gz AOZIUHOKPZNCJH-CQSZACIVSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001206325411 773067052 /nfs/dbraw/zinc/06/70/52/773067052.db2.gz IOPTXIJWVNCRGJ-HUUCEWRRSA-N 2 2 300.406 0.985 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001206941658 773142815 /nfs/dbraw/zinc/14/28/15/773142815.db2.gz GEKJKJVRLUNRJD-KRWDZBQOSA-N 2 2 319.449 0.559 20 30 DCEDLP C=CCOCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970954 773153587 /nfs/dbraw/zinc/15/35/87/773153587.db2.gz RPJHKHAGVMDLTB-UHFFFAOYSA-N 2 2 306.410 0.914 20 30 DCEDLP Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1C#N ZINC001207108978 773173481 /nfs/dbraw/zinc/17/34/81/773173481.db2.gz RDAYUQVCUYBOPU-CQSZACIVSA-N 2 2 303.410 0.539 20 30 DCEDLP Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1C#N ZINC001207108978 773173483 /nfs/dbraw/zinc/17/34/83/773173483.db2.gz RDAYUQVCUYBOPU-CQSZACIVSA-N 2 2 303.410 0.539 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001195851010 773485129 /nfs/dbraw/zinc/48/51/29/773485129.db2.gz RHPYMQBSZBQIBY-ZIAGYGMSSA-N 2 2 322.434 0.233 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1O ZINC001195851010 773485132 /nfs/dbraw/zinc/48/51/32/773485132.db2.gz RHPYMQBSZBQIBY-ZIAGYGMSSA-N 2 2 322.434 0.233 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001205761948 773550895 /nfs/dbraw/zinc/55/08/95/773550895.db2.gz GQZHLNFZVSKNEL-KRWDZBQOSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001205761948 773550901 /nfs/dbraw/zinc/55/09/01/773550901.db2.gz GQZHLNFZVSKNEL-KRWDZBQOSA-N 2 2 321.465 0.949 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197689569 773783570 /nfs/dbraw/zinc/78/35/70/773783570.db2.gz KOIBIWQPRBXFLR-JFIYKMOQSA-N 2 2 317.433 0.811 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197689569 773783573 /nfs/dbraw/zinc/78/35/73/773783573.db2.gz KOIBIWQPRBXFLR-JFIYKMOQSA-N 2 2 317.433 0.811 20 30 DCEDLP CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1C#N ZINC001218914457 774326358 /nfs/dbraw/zinc/32/63/58/774326358.db2.gz CGYJZNSLERKFDH-CYBMUJFWSA-N 2 2 312.333 0.748 20 30 DCEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068968 774358388 /nfs/dbraw/zinc/35/83/88/774358388.db2.gz RQFGRXZHRTYBFY-LSDHHAIUSA-N 2 2 304.394 0.761 20 30 DCEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001219068968 774358396 /nfs/dbraw/zinc/35/83/96/774358396.db2.gz RQFGRXZHRTYBFY-LSDHHAIUSA-N 2 2 304.394 0.761 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201983449 774583714 /nfs/dbraw/zinc/58/37/14/774583714.db2.gz NYZICOFYWHGCKE-INIZCTEOSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053491 774682508 /nfs/dbraw/zinc/68/25/08/774682508.db2.gz PIODGHNTYDLHPO-KFWWJZLASA-N 2 2 320.437 0.869 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053491 774682512 /nfs/dbraw/zinc/68/25/12/774682512.db2.gz PIODGHNTYDLHPO-KFWWJZLASA-N 2 2 320.437 0.869 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCOC ZINC001110678812 774707021 /nfs/dbraw/zinc/70/70/21/774707021.db2.gz IXFQOOSTILPLBG-NCOADZHNSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOC ZINC001110678812 774707026 /nfs/dbraw/zinc/70/70/26/774707026.db2.gz IXFQOOSTILPLBG-NCOADZHNSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCOC ZINC001110678812 774707028 /nfs/dbraw/zinc/70/70/28/774707028.db2.gz IXFQOOSTILPLBG-NCOADZHNSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCOC ZINC001110678812 774707032 /nfs/dbraw/zinc/70/70/32/774707032.db2.gz IXFQOOSTILPLBG-NCOADZHNSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411230 775847838 /nfs/dbraw/zinc/84/78/38/775847838.db2.gz JOTULDGCZYCHCU-JJXSEGSLSA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411230 775847843 /nfs/dbraw/zinc/84/78/43/775847843.db2.gz JOTULDGCZYCHCU-JJXSEGSLSA-N 2 2 305.422 0.309 20 30 DCEDLP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317605509 945107339 /nfs/dbraw/zinc/10/73/39/945107339.db2.gz HWESZMOKPLTYPW-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CC=C)CC1 ZINC001278137156 945151006 /nfs/dbraw/zinc/15/10/06/945151006.db2.gz JDKVVXZSAMDUMC-MRXNPFEDSA-N 2 2 305.422 0.429 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC=C)CC1 ZINC001278137156 945151013 /nfs/dbraw/zinc/15/10/13/945151013.db2.gz JDKVVXZSAMDUMC-MRXNPFEDSA-N 2 2 305.422 0.429 20 30 DCEDLP CC(C)[NH+]1CCC(C(=O)NCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001266294643 939055281 /nfs/dbraw/zinc/05/52/81/939055281.db2.gz GAHBELGLUHGQEP-UHFFFAOYSA-N 2 2 321.469 0.364 20 30 DCEDLP C#CC[N@H+](CC)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001266392945 939104246 /nfs/dbraw/zinc/10/42/46/939104246.db2.gz SHCLUSUZSCZSPV-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CC[NH+](CC)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001266392945 939104255 /nfs/dbraw/zinc/10/42/55/939104255.db2.gz SHCLUSUZSCZSPV-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CC[NH+](CC)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001266392945 939104256 /nfs/dbraw/zinc/10/42/56/939104256.db2.gz SHCLUSUZSCZSPV-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266546900 939158743 /nfs/dbraw/zinc/15/87/43/939158743.db2.gz ZEFZLHXXVVELBP-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001266546900 939158746 /nfs/dbraw/zinc/15/87/46/939158746.db2.gz ZEFZLHXXVVELBP-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267692761 939628095 /nfs/dbraw/zinc/62/80/95/939628095.db2.gz KPTNSCBRUYCAOH-KGLIPLIRSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267692761 939628097 /nfs/dbraw/zinc/62/80/97/939628097.db2.gz KPTNSCBRUYCAOH-KGLIPLIRSA-N 2 2 322.453 0.067 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CCC[NH+]1CCCC1 ZINC001481474917 939888635 /nfs/dbraw/zinc/88/86/35/939888635.db2.gz VQGYNIOXCMPBNY-UHFFFAOYSA-N 2 2 321.469 0.462 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269083008 940613032 /nfs/dbraw/zinc/61/30/32/940613032.db2.gz APAIBVHTCUNQLI-DZGCQCFKSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269083008 940613033 /nfs/dbraw/zinc/61/30/33/940613033.db2.gz APAIBVHTCUNQLI-DZGCQCFKSA-N 2 2 310.442 0.065 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001271050605 941248457 /nfs/dbraw/zinc/24/84/57/941248457.db2.gz UTEWEMBYRQJXPS-CQSZACIVSA-N 2 2 316.405 0.334 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001272228026 941837382 /nfs/dbraw/zinc/83/73/82/941837382.db2.gz YHOPMCGXEYXNCO-GOEBONIOSA-N 2 2 316.405 0.525 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001272228026 941837387 /nfs/dbraw/zinc/83/73/87/941837387.db2.gz YHOPMCGXEYXNCO-GOEBONIOSA-N 2 2 316.405 0.525 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001483338004 942278828 /nfs/dbraw/zinc/27/88/28/942278828.db2.gz TVAFTCVYINQXEQ-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001483338004 942278831 /nfs/dbraw/zinc/27/88/31/942278831.db2.gz TVAFTCVYINQXEQ-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483338004 942278836 /nfs/dbraw/zinc/27/88/36/942278836.db2.gz TVAFTCVYINQXEQ-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483338004 942278840 /nfs/dbraw/zinc/27/88/40/942278840.db2.gz TVAFTCVYINQXEQ-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484446106 943400418 /nfs/dbraw/zinc/40/04/18/943400418.db2.gz HDCKUIUTJFYYOL-AEFFLSMTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484446106 943400419 /nfs/dbraw/zinc/40/04/19/943400419.db2.gz HDCKUIUTJFYYOL-AEFFLSMTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484527042 943440446 /nfs/dbraw/zinc/44/04/46/943440446.db2.gz KGXDYDKPPFBGIW-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001484543285 943445550 /nfs/dbraw/zinc/44/55/50/943445550.db2.gz LTUFVRMFRSCVTC-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001484805670 943583519 /nfs/dbraw/zinc/58/35/19/943583519.db2.gz UHLBZFLVPGEFTI-LSDHHAIUSA-N 2 2 323.437 0.100 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001484805670 943583521 /nfs/dbraw/zinc/58/35/21/943583521.db2.gz UHLBZFLVPGEFTI-LSDHHAIUSA-N 2 2 323.437 0.100 20 30 DCEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484852262 943597044 /nfs/dbraw/zinc/59/70/44/943597044.db2.gz VDHGVCSSQWNCJL-RHSMWYFYSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484852262 943597046 /nfs/dbraw/zinc/59/70/46/943597046.db2.gz VDHGVCSSQWNCJL-RHSMWYFYSA-N 2 2 318.421 0.555 20 30 DCEDLP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484850310 943597334 /nfs/dbraw/zinc/59/73/34/943597334.db2.gz FVDSESSLYGGBLM-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484857349 943602937 /nfs/dbraw/zinc/60/29/37/943602937.db2.gz YBPRQQNWCKOTBF-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593721 944225858 /nfs/dbraw/zinc/22/58/58/944225858.db2.gz OUMBXEPETBQZLK-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593721 944225866 /nfs/dbraw/zinc/22/58/66/944225866.db2.gz OUMBXEPETBQZLK-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593721 944225876 /nfs/dbraw/zinc/22/58/76/944225876.db2.gz OUMBXEPETBQZLK-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001276593721 944225881 /nfs/dbraw/zinc/22/58/81/944225881.db2.gz OUMBXEPETBQZLK-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001276909260 944589867 /nfs/dbraw/zinc/58/98/67/944589867.db2.gz PMBBRGDOWQSGMZ-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001276909260 944589875 /nfs/dbraw/zinc/58/98/75/944589875.db2.gz PMBBRGDOWQSGMZ-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001317018949 944742150 /nfs/dbraw/zinc/74/21/50/944742150.db2.gz NFYABQLGOAANSJ-HOTGVXAUSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001317018949 944742156 /nfs/dbraw/zinc/74/21/56/944742156.db2.gz NFYABQLGOAANSJ-HOTGVXAUSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001317018951 944742251 /nfs/dbraw/zinc/74/22/51/944742251.db2.gz NFYABQLGOAANSJ-JKSUJKDBSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001317018951 944742253 /nfs/dbraw/zinc/74/22/53/944742253.db2.gz NFYABQLGOAANSJ-JKSUJKDBSA-N 2 2 315.421 0.908 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317039563 944752681 /nfs/dbraw/zinc/75/26/81/944752681.db2.gz LOMNRGFZXHNFKF-OAHLLOKOSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317039563 944752690 /nfs/dbraw/zinc/75/26/90/944752690.db2.gz LOMNRGFZXHNFKF-OAHLLOKOSA-N 2 2 318.421 0.772 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486341566 944791120 /nfs/dbraw/zinc/79/11/20/944791120.db2.gz UZDXVWIGUZHDAK-UONOGXRCSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486341566 944791131 /nfs/dbraw/zinc/79/11/31/944791131.db2.gz UZDXVWIGUZHDAK-UONOGXRCSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486339790 944802415 /nfs/dbraw/zinc/80/24/15/944802415.db2.gz AAMVLBHSZBEECF-KGLIPLIRSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486339790 944802423 /nfs/dbraw/zinc/80/24/23/944802423.db2.gz AAMVLBHSZBEECF-KGLIPLIRSA-N 2 2 306.410 0.383 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486351896 944809926 /nfs/dbraw/zinc/80/99/26/944809926.db2.gz YRRNTKTZMQTPQB-DZGCQCFKSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486351896 944809935 /nfs/dbraw/zinc/80/99/35/944809935.db2.gz YRRNTKTZMQTPQB-DZGCQCFKSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486351896 944809944 /nfs/dbraw/zinc/80/99/44/944809944.db2.gz YRRNTKTZMQTPQB-DZGCQCFKSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486351896 944809947 /nfs/dbraw/zinc/80/99/47/944809947.db2.gz YRRNTKTZMQTPQB-DZGCQCFKSA-N 2 2 308.426 0.916 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317150735 944825833 /nfs/dbraw/zinc/82/58/33/944825833.db2.gz OHBXMAXBVYOFGV-OAHLLOKOSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317150735 944825837 /nfs/dbraw/zinc/82/58/37/944825837.db2.gz OHBXMAXBVYOFGV-OAHLLOKOSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001319271081 945538557 /nfs/dbraw/zinc/53/85/57/945538557.db2.gz DRPREZOQIPWYOV-AWEZNQCLSA-N 2 2 306.410 0.344 20 30 DCEDLP C#CCOC[C@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001251890664 945808575 /nfs/dbraw/zinc/80/85/75/945808575.db2.gz FQLOIRCLYSZBCS-MRXNPFEDSA-N 2 2 303.406 0.898 20 30 DCEDLP N#Cc1cccc(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001410716196 946824608 /nfs/dbraw/zinc/82/46/08/946824608.db2.gz CCLQWUNLUCDMDQ-HNNXBMFYSA-N 2 2 313.361 0.091 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001323873476 947236815 /nfs/dbraw/zinc/23/68/15/947236815.db2.gz RZTXKIYXUCSPDD-QGZVFWFLSA-N 2 2 316.405 0.457 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001323873476 947236828 /nfs/dbraw/zinc/23/68/28/947236828.db2.gz RZTXKIYXUCSPDD-QGZVFWFLSA-N 2 2 316.405 0.457 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457243 947299294 /nfs/dbraw/zinc/29/92/94/947299294.db2.gz BWDJYSFAEBLQRB-ZFWWWQNUSA-N 3 2 307.442 0.292 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457243 947299302 /nfs/dbraw/zinc/29/93/02/947299302.db2.gz BWDJYSFAEBLQRB-ZFWWWQNUSA-N 3 2 307.442 0.292 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615315 947682201 /nfs/dbraw/zinc/68/22/01/947682201.db2.gz GIMCDEOVOXZNKA-LSDHHAIUSA-N 2 2 318.421 0.581 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615315 947682203 /nfs/dbraw/zinc/68/22/03/947682203.db2.gz GIMCDEOVOXZNKA-LSDHHAIUSA-N 2 2 318.421 0.581 20 30 DCEDLP C#CCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273541437 947948099 /nfs/dbraw/zinc/94/80/99/947948099.db2.gz AXLMYMHYVWVVSQ-QGZVFWFLSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273541437 947948106 /nfs/dbraw/zinc/94/81/06/947948106.db2.gz AXLMYMHYVWVVSQ-QGZVFWFLSA-N 2 2 316.405 0.600 20 30 DCEDLP C[NH+](C)CCC[N@@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273712266 948040507 /nfs/dbraw/zinc/04/05/07/948040507.db2.gz SFYVPLQMKIVDLB-MRXNPFEDSA-N 2 2 308.426 0.545 20 30 DCEDLP C[NH+](C)CCC[N@H+]1CC[C@@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001273712266 948040513 /nfs/dbraw/zinc/04/05/13/948040513.db2.gz SFYVPLQMKIVDLB-MRXNPFEDSA-N 2 2 308.426 0.545 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001327603073 948566573 /nfs/dbraw/zinc/56/65/73/948566573.db2.gz KPLNLPDZICDKKG-KRWDZBQOSA-N 2 2 318.421 0.319 20 30 DCEDLP C=CCN1CC[C@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863722 948640575 /nfs/dbraw/zinc/64/05/75/948640575.db2.gz MTZLCLMYNZAVQU-RHSMWYFYSA-N 2 2 309.454 0.988 20 30 DCEDLP C=CCN1CC[C@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273863722 948640581 /nfs/dbraw/zinc/64/05/81/948640581.db2.gz MTZLCLMYNZAVQU-RHSMWYFYSA-N 2 2 309.454 0.988 20 30 DCEDLP C=C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273883916 948657576 /nfs/dbraw/zinc/65/75/76/948657576.db2.gz BYZVFIHYMQFEPH-GJZGRUSLSA-N 2 2 318.421 0.648 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001263903242 948802724 /nfs/dbraw/zinc/80/27/24/948802724.db2.gz OKWGYTWBVJSUOS-LSDHHAIUSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001263903242 948802735 /nfs/dbraw/zinc/80/27/35/948802735.db2.gz OKWGYTWBVJSUOS-LSDHHAIUSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnsn1 ZINC001328353917 948850182 /nfs/dbraw/zinc/85/01/82/948850182.db2.gz IHFCHCPBQCUKIU-JSGCOSHPSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnsn1 ZINC001328353917 948850189 /nfs/dbraw/zinc/85/01/89/948850189.db2.gz IHFCHCPBQCUKIU-JSGCOSHPSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001264374892 948941679 /nfs/dbraw/zinc/94/16/79/948941679.db2.gz PWRPNONTONPGLK-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001264374892 948941689 /nfs/dbraw/zinc/94/16/89/948941689.db2.gz PWRPNONTONPGLK-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OCC ZINC001489009224 949432590 /nfs/dbraw/zinc/43/25/90/949432590.db2.gz FVPGNRXMDFRZOP-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001489009224 949432601 /nfs/dbraw/zinc/43/26/01/949432601.db2.gz FVPGNRXMDFRZOP-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001265266528 949520382 /nfs/dbraw/zinc/52/03/82/949520382.db2.gz QDRPJVRFBQPISU-UHFFFAOYSA-N 2 2 305.426 0.501 20 30 DCEDLP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001329514620 949651738 /nfs/dbraw/zinc/65/17/38/949651738.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001329514620 949651749 /nfs/dbraw/zinc/65/17/49/949651749.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001329514620 949651765 /nfs/dbraw/zinc/65/17/65/949651765.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001329514620 949651777 /nfs/dbraw/zinc/65/17/77/949651777.db2.gz FREBJLFATYSASV-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COC[C@@H]3O)CC2)cc1 ZINC001364649956 949695571 /nfs/dbraw/zinc/69/55/71/949695571.db2.gz SVIBXXABDDQVSU-SJORKVTESA-N 2 2 301.390 0.872 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001329718526 949812104 /nfs/dbraw/zinc/81/21/04/949812104.db2.gz XDSBATSWZORNFU-CQSZACIVSA-N 2 2 306.410 0.791 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001265914401 950132245 /nfs/dbraw/zinc/13/22/45/950132245.db2.gz MIJULFUFSTXAKE-HNNXBMFYSA-N 2 2 318.421 0.767 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265990537 950236035 /nfs/dbraw/zinc/23/60/35/950236035.db2.gz QRPIAXJSDNVHMV-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001280969987 951193984 /nfs/dbraw/zinc/19/39/84/951193984.db2.gz WHCZAXVJTCRNRP-LSDHHAIUSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001331643384 951216466 /nfs/dbraw/zinc/21/64/66/951216466.db2.gz HTLCYPVNOCFKJC-ZDUSSCGKSA-N 2 2 319.409 0.351 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001281143053 951325228 /nfs/dbraw/zinc/32/52/28/951325228.db2.gz PTGOGSIACQIMAU-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001332439345 951646324 /nfs/dbraw/zinc/64/63/24/951646324.db2.gz VIIVOYCRTPIKJX-HNNXBMFYSA-N 2 2 320.437 0.992 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274656438 951768763 /nfs/dbraw/zinc/76/87/63/951768763.db2.gz PQKYVSGMWXIWHX-AEFFLSMTSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274656438 951768765 /nfs/dbraw/zinc/76/87/65/951768765.db2.gz PQKYVSGMWXIWHX-AEFFLSMTSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccn(CC)n1 ZINC001275185400 951990698 /nfs/dbraw/zinc/99/06/98/951990698.db2.gz UGGBCUKQPCJQCE-HOCLYGCPSA-N 2 2 317.437 0.595 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccn(CC)n1 ZINC001275185400 951990702 /nfs/dbraw/zinc/99/07/02/951990702.db2.gz UGGBCUKQPCJQCE-HOCLYGCPSA-N 2 2 317.437 0.595 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001275805911 952470545 /nfs/dbraw/zinc/47/05/45/952470545.db2.gz LMMVCMNSTJHJEV-CABCVRRESA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001340891797 953201888 /nfs/dbraw/zinc/20/18/88/953201888.db2.gz AEPFSNFOPSUFSV-UHFFFAOYSA-N 2 2 314.433 0.273 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001340891797 953201892 /nfs/dbraw/zinc/20/18/92/953201892.db2.gz AEPFSNFOPSUFSV-UHFFFAOYSA-N 2 2 314.433 0.273 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284150238 954881130 /nfs/dbraw/zinc/88/11/30/954881130.db2.gz ADXRZWUFVUWUQJ-GDBMZVCRSA-N 2 2 318.421 0.810 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001284430339 955087924 /nfs/dbraw/zinc/08/79/24/955087924.db2.gz QOEUBMLNGQKLNA-ZIAGYGMSSA-N 2 2 306.410 0.431 20 30 DCEDLP C=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001284870439 955281695 /nfs/dbraw/zinc/28/16/95/955281695.db2.gz PKJFKUPPDFLNBE-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001394774877 994134795 /nfs/dbraw/zinc/13/47/95/994134795.db2.gz FGCHDIRFTCQVBH-ZDUSSCGKSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001394774877 994134799 /nfs/dbraw/zinc/13/47/99/994134799.db2.gz FGCHDIRFTCQVBH-ZDUSSCGKSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401650508 1000589878 /nfs/dbraw/zinc/58/98/78/1000589878.db2.gz BNPDFKZTRLLSQO-SNVBAGLBSA-N 2 2 315.215 0.966 20 30 DCEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403077029 1001663297 /nfs/dbraw/zinc/66/32/97/1001663297.db2.gz GXNXUOLPHPUNJP-JTQLQIEISA-N 2 2 315.215 0.966 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001539431272 1012438174 /nfs/dbraw/zinc/43/81/74/1012438174.db2.gz SNKSFWHARUDUHV-CQSZACIVSA-N 2 2 316.453 0.824 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001539431272 1012438183 /nfs/dbraw/zinc/43/81/83/1012438183.db2.gz SNKSFWHARUDUHV-CQSZACIVSA-N 2 2 316.453 0.824 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506737493 1017489596 /nfs/dbraw/zinc/48/95/96/1017489596.db2.gz XZTGGTGBVSSIGD-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737493 1017489589 /nfs/dbraw/zinc/48/95/89/1017489589.db2.gz XZTGGTGBVSSIGD-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737493 1017489593 /nfs/dbraw/zinc/48/95/93/1017489593.db2.gz XZTGGTGBVSSIGD-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506737493 1017489599 /nfs/dbraw/zinc/48/95/99/1017489599.db2.gz XZTGGTGBVSSIGD-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001506839268 1017601071 /nfs/dbraw/zinc/60/10/71/1017601071.db2.gz NIYRRXRTZYDHLR-ZIAGYGMSSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001506845327 1017607304 /nfs/dbraw/zinc/60/73/04/1017607304.db2.gz RQKMQCQSUBNZBS-HUUCEWRRSA-N 2 2 304.394 0.502 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001506859436 1017621002 /nfs/dbraw/zinc/62/10/02/1017621002.db2.gz WIHYRLKYKDOGFE-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494791005 1018032212 /nfs/dbraw/zinc/03/22/12/1018032212.db2.gz ZDSUSLFXCOQHIP-TZMCWYRMSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494791005 1018032222 /nfs/dbraw/zinc/03/22/22/1018032222.db2.gz ZDSUSLFXCOQHIP-TZMCWYRMSA-N 2 2 319.409 0.073 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480301840 1018413266 /nfs/dbraw/zinc/41/32/66/1018413266.db2.gz ABQZBLNDNDCBJW-OAHLLOKOSA-N 2 2 318.421 0.739 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001500689867 1018580754 /nfs/dbraw/zinc/58/07/54/1018580754.db2.gz RVKLEGBWODACPX-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001500689867 1018580758 /nfs/dbraw/zinc/58/07/58/1018580758.db2.gz RVKLEGBWODACPX-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001500689867 1018580772 /nfs/dbraw/zinc/58/07/72/1018580772.db2.gz RVKLEGBWODACPX-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001500689867 1018580781 /nfs/dbraw/zinc/58/07/81/1018580781.db2.gz RVKLEGBWODACPX-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533684 238159902 /nfs/dbraw/zinc/15/99/02/238159902.db2.gz CKWUSNHKAQUQQW-CABCVRRESA-N 2 2 308.426 0.401 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533684 238159905 /nfs/dbraw/zinc/15/99/05/238159905.db2.gz CKWUSNHKAQUQQW-CABCVRRESA-N 2 2 308.426 0.401 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000491616016 241125974 /nfs/dbraw/zinc/12/59/74/241125974.db2.gz HTKUTLJHASZGSS-YOEHRIQHSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000491699441 241130885 /nfs/dbraw/zinc/13/08/85/241130885.db2.gz NKKXIEBNHDCPLQ-KRWDZBQOSA-N 2 2 312.417 0.648 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000491699441 241130890 /nfs/dbraw/zinc/13/08/90/241130890.db2.gz NKKXIEBNHDCPLQ-KRWDZBQOSA-N 2 2 312.417 0.648 20 30 DCEDLP COCCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000264143411 533339204 /nfs/dbraw/zinc/33/92/04/533339204.db2.gz XBTQFBHYXQRVBD-OAHLLOKOSA-N 2 2 306.410 0.438 20 30 DCEDLP COCCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000264143411 533339208 /nfs/dbraw/zinc/33/92/08/533339208.db2.gz XBTQFBHYXQRVBD-OAHLLOKOSA-N 2 2 306.410 0.438 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C3CCCC3)CC2)CC1 ZINC000081648649 396305689 /nfs/dbraw/zinc/30/56/89/396305689.db2.gz GUTLRVACEJCWQO-UHFFFAOYSA-N 2 2 318.465 0.324 20 30 DCEDLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131809 396532214 /nfs/dbraw/zinc/53/22/14/396532214.db2.gz ITBYKLLFPSQRGY-HZPDHXFCSA-N 2 2 316.405 0.861 20 30 DCEDLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131809 396532218 /nfs/dbraw/zinc/53/22/18/396532218.db2.gz ITBYKLLFPSQRGY-HZPDHXFCSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131809 396532223 /nfs/dbraw/zinc/53/22/23/396532223.db2.gz ITBYKLLFPSQRGY-HZPDHXFCSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131809 396532227 /nfs/dbraw/zinc/53/22/27/396532227.db2.gz ITBYKLLFPSQRGY-HZPDHXFCSA-N 2 2 316.405 0.861 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506899 396619024 /nfs/dbraw/zinc/61/90/24/396619024.db2.gz IKNUQLFHKZZPTJ-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506899 396619025 /nfs/dbraw/zinc/61/90/25/396619025.db2.gz IKNUQLFHKZZPTJ-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506899 396619027 /nfs/dbraw/zinc/61/90/27/396619027.db2.gz IKNUQLFHKZZPTJ-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506899 396619028 /nfs/dbraw/zinc/61/90/28/396619028.db2.gz IKNUQLFHKZZPTJ-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588522 397252732 /nfs/dbraw/zinc/25/27/32/397252732.db2.gz BKQPYXZNPCECLX-OAHLLOKOSA-N 2 2 324.469 0.773 20 30 DCEDLP C=CCCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342487454 415187698 /nfs/dbraw/zinc/18/76/98/415187698.db2.gz XORZAWHVXVAWBV-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342487454 415187705 /nfs/dbraw/zinc/18/77/05/415187705.db2.gz XORZAWHVXVAWBV-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119725862 415751160 /nfs/dbraw/zinc/75/11/60/415751160.db2.gz BAIYETFZVUKOMN-PMRDEQMMSA-N 2 2 318.465 0.367 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119725862 415751166 /nfs/dbraw/zinc/75/11/66/415751166.db2.gz BAIYETFZVUKOMN-PMRDEQMMSA-N 2 2 318.465 0.367 20 30 DCEDLP C#CCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119725862 415751171 /nfs/dbraw/zinc/75/11/71/415751171.db2.gz BAIYETFZVUKOMN-PMRDEQMMSA-N 2 2 318.465 0.367 20 30 DCEDLP C#CCNC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119725862 415751176 /nfs/dbraw/zinc/75/11/76/415751176.db2.gz BAIYETFZVUKOMN-PMRDEQMMSA-N 2 2 318.465 0.367 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343967911 415802708 /nfs/dbraw/zinc/80/27/08/415802708.db2.gz CKTCMPXHIMLZCB-PMPSAXMXSA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343967911 415802714 /nfs/dbraw/zinc/80/27/14/415802714.db2.gz CKTCMPXHIMLZCB-PMPSAXMXSA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170893 415921935 /nfs/dbraw/zinc/92/19/35/415921935.db2.gz FOBRTEAYFKCFKX-HOTGVXAUSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170893 415921940 /nfs/dbraw/zinc/92/19/40/415921940.db2.gz FOBRTEAYFKCFKX-HOTGVXAUSA-N 2 2 307.438 0.818 20 30 DCEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000328791663 416132141 /nfs/dbraw/zinc/13/21/41/416132141.db2.gz QXLGAGUDXLRYAV-UONOGXRCSA-N 2 2 320.441 0.369 20 30 DCEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000328791663 416132144 /nfs/dbraw/zinc/13/21/44/416132144.db2.gz QXLGAGUDXLRYAV-UONOGXRCSA-N 2 2 320.441 0.369 20 30 DCEDLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329746083 416188306 /nfs/dbraw/zinc/18/83/06/416188306.db2.gz YROKCAGDWBGTKT-HUUCEWRRSA-N 2 2 321.425 0.802 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000491693125 416614941 /nfs/dbraw/zinc/61/49/41/416614941.db2.gz SQOAADLJFUUPDW-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000491693125 416614947 /nfs/dbraw/zinc/61/49/47/416614947.db2.gz SQOAADLJFUUPDW-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000491693125 416614950 /nfs/dbraw/zinc/61/49/50/416614950.db2.gz SQOAADLJFUUPDW-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000491693125 416614952 /nfs/dbraw/zinc/61/49/52/416614952.db2.gz SQOAADLJFUUPDW-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000491516486 416604382 /nfs/dbraw/zinc/60/43/82/416604382.db2.gz UMCBPVGLEANIKW-HIFRSBDPSA-N 2 2 311.376 0.741 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000491516486 416604384 /nfs/dbraw/zinc/60/43/84/416604384.db2.gz UMCBPVGLEANIKW-HIFRSBDPSA-N 2 2 311.376 0.741 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C2Cc3ccccc3C2)CC1 ZINC000490781125 416574346 /nfs/dbraw/zinc/57/43/46/416574346.db2.gz WRQQWFPIZHTWPL-UHFFFAOYSA-N 2 2 311.429 0.863 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C2Cc3ccccc3C2)CC1 ZINC000490781125 416574350 /nfs/dbraw/zinc/57/43/50/416574350.db2.gz WRQQWFPIZHTWPL-UHFFFAOYSA-N 2 2 311.429 0.863 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000490866080 416577182 /nfs/dbraw/zinc/57/71/82/416577182.db2.gz LUVMIGKCTLNIQQ-HZPDHXFCSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000490866080 416577187 /nfs/dbraw/zinc/57/71/87/416577187.db2.gz LUVMIGKCTLNIQQ-HZPDHXFCSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2sccc2C)CC1 ZINC000491048008 416584211 /nfs/dbraw/zinc/58/42/11/416584211.db2.gz WNPFTFADBGFHKU-CQSZACIVSA-N 2 2 321.446 0.457 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]3COC[C@H]32)CC1 ZINC000491678268 416615807 /nfs/dbraw/zinc/61/58/07/416615807.db2.gz AMMJRGVWIKNFCL-LSDHHAIUSA-N 2 2 305.422 0.121 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)CC1 ZINC000491678268 416615811 /nfs/dbraw/zinc/61/58/11/416615811.db2.gz AMMJRGVWIKNFCL-LSDHHAIUSA-N 2 2 305.422 0.121 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491729783 416619904 /nfs/dbraw/zinc/61/99/04/416619904.db2.gz NVUKNSCLSVYAKR-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491729783 416619908 /nfs/dbraw/zinc/61/99/08/416619908.db2.gz NVUKNSCLSVYAKR-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371302336 416913796 /nfs/dbraw/zinc/91/37/96/416913796.db2.gz YGBKMOQAWQFDEV-BFHYXJOUSA-N 2 2 324.425 0.182 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371302336 416913803 /nfs/dbraw/zinc/91/38/03/416913803.db2.gz YGBKMOQAWQFDEV-BFHYXJOUSA-N 2 2 324.425 0.182 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000451601253 417362553 /nfs/dbraw/zinc/36/25/53/417362553.db2.gz UWLHTWAFTIFIED-KGLIPLIRSA-N 2 2 311.426 0.147 20 30 DCEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571295231 417442409 /nfs/dbraw/zinc/44/24/09/417442409.db2.gz SAIOCCXPIBOGPN-CYBMUJFWSA-N 2 2 304.398 0.540 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000655747300 418291413 /nfs/dbraw/zinc/29/14/13/418291413.db2.gz VFQZDQIVUDNEOD-CABCVRRESA-N 2 2 310.442 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000491265954 333012942 /nfs/dbraw/zinc/01/29/42/333012942.db2.gz NJHKFLFJHMLELE-UHFFFAOYSA-N 2 2 319.449 0.797 20 30 DCEDLP C[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)C[NH+]1CCOCC1 ZINC000582122379 333302188 /nfs/dbraw/zinc/30/21/88/333302188.db2.gz MFKYKSDLKPZNOB-ZDUSSCGKSA-N 2 2 314.393 0.659 20 30 DCEDLP CC1(C)C[N@H+](CC[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330199649 336123470 /nfs/dbraw/zinc/12/34/70/336123470.db2.gz VRVDGHNMDZJUJD-ZDUSSCGKSA-N 2 2 321.425 0.812 20 30 DCEDLP CC1(C)C[N@@H+](CC[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330199649 336123471 /nfs/dbraw/zinc/12/34/71/336123471.db2.gz VRVDGHNMDZJUJD-ZDUSSCGKSA-N 2 2 321.425 0.812 20 30 DCEDLP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330303477 336145851 /nfs/dbraw/zinc/14/58/51/336145851.db2.gz PFWZERZPUPSDTQ-QWHCGFSZSA-N 2 2 307.398 0.374 20 30 DCEDLP C[NH+](C)C[C@@H]1CN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330303477 336145852 /nfs/dbraw/zinc/14/58/52/336145852.db2.gz PFWZERZPUPSDTQ-QWHCGFSZSA-N 2 2 307.398 0.374 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N(C)C[C@H]1CCOC1 ZINC000178981604 337166710 /nfs/dbraw/zinc/16/67/10/337166710.db2.gz RPMNNRBIDRHVSF-CQSZACIVSA-N 2 2 312.458 0.641 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N(C)C[C@H]1CCOC1 ZINC000178981604 337166711 /nfs/dbraw/zinc/16/67/11/337166711.db2.gz RPMNNRBIDRHVSF-CQSZACIVSA-N 2 2 312.458 0.641 20 30 DCEDLP C=C[C@](C)(O)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785929 548733965 /nfs/dbraw/zinc/73/39/65/548733965.db2.gz LHADWGCVTYNZKT-RDJZCZTQSA-N 2 2 309.454 0.940 20 30 DCEDLP C=C[C@](C)(O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785929 548733973 /nfs/dbraw/zinc/73/39/73/548733973.db2.gz LHADWGCVTYNZKT-RDJZCZTQSA-N 2 2 309.454 0.940 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978379942 660527874 /nfs/dbraw/zinc/52/78/74/660527874.db2.gz ZQCVJPYAFAPKFF-TUVASFSCSA-N 2 2 312.417 0.750 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]c(C)[nH]c4C3)[C@@H]2C1 ZINC000978379942 660527876 /nfs/dbraw/zinc/52/78/76/660527876.db2.gz ZQCVJPYAFAPKFF-TUVASFSCSA-N 2 2 312.417 0.750 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978379942 660527878 /nfs/dbraw/zinc/52/78/78/660527878.db2.gz ZQCVJPYAFAPKFF-TUVASFSCSA-N 2 2 312.417 0.750 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978379942 660527880 /nfs/dbraw/zinc/52/78/80/660527880.db2.gz ZQCVJPYAFAPKFF-TUVASFSCSA-N 2 2 312.417 0.750 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691998 660620816 /nfs/dbraw/zinc/62/08/16/660620816.db2.gz YEYFTBIUJOHQDN-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691998 660620817 /nfs/dbraw/zinc/62/08/17/660620817.db2.gz YEYFTBIUJOHQDN-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C=CC[N@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327209 661133324 /nfs/dbraw/zinc/13/33/24/661133324.db2.gz PBVOCDXSTGEOEO-OAHLLOKOSA-N 2 2 305.426 0.534 20 30 DCEDLP C=CC[N@@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327209 661133326 /nfs/dbraw/zinc/13/33/26/661133326.db2.gz PBVOCDXSTGEOEO-OAHLLOKOSA-N 2 2 305.426 0.534 20 30 DCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969979496 658313783 /nfs/dbraw/zinc/31/37/83/658313783.db2.gz HBCDITNSQBNWFR-KGLIPLIRSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389769 658705731 /nfs/dbraw/zinc/70/57/31/658705731.db2.gz XAFZQGUFVFYFQS-JFIYKMOQSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389769 658705735 /nfs/dbraw/zinc/70/57/35/658705735.db2.gz XAFZQGUFVFYFQS-JFIYKMOQSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389769 658705740 /nfs/dbraw/zinc/70/57/40/658705740.db2.gz XAFZQGUFVFYFQS-JFIYKMOQSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389769 658705744 /nfs/dbraw/zinc/70/57/44/658705744.db2.gz XAFZQGUFVFYFQS-JFIYKMOQSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970324994 658863742 /nfs/dbraw/zinc/86/37/42/658863742.db2.gz BSTHETBBVMRLNL-HOCLYGCPSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970324994 658863746 /nfs/dbraw/zinc/86/37/46/658863746.db2.gz BSTHETBBVMRLNL-HOCLYGCPSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974748684 659653426 /nfs/dbraw/zinc/65/34/26/659653426.db2.gz CMOQGBGZLKNTEX-RBSFLKMASA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974748684 659653430 /nfs/dbraw/zinc/65/34/30/659653430.db2.gz CMOQGBGZLKNTEX-RBSFLKMASA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974748684 659653433 /nfs/dbraw/zinc/65/34/33/659653433.db2.gz CMOQGBGZLKNTEX-RBSFLKMASA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974748684 659653436 /nfs/dbraw/zinc/65/34/36/659653436.db2.gz CMOQGBGZLKNTEX-RBSFLKMASA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643499 661716058 /nfs/dbraw/zinc/71/60/58/661716058.db2.gz OVLPZKFGUPNOQW-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC000941404351 665990577 /nfs/dbraw/zinc/99/05/77/665990577.db2.gz ATIMDIKNWBLVBP-QGZVFWFLSA-N 2 2 318.465 0.321 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404351 665990579 /nfs/dbraw/zinc/99/05/79/665990579.db2.gz ATIMDIKNWBLVBP-QGZVFWFLSA-N 2 2 318.465 0.321 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730285725 664676971 /nfs/dbraw/zinc/67/69/71/664676971.db2.gz GKFSDTWMDNYGHN-PMPSAXMXSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000730285725 664676972 /nfs/dbraw/zinc/67/69/72/664676972.db2.gz GKFSDTWMDNYGHN-PMPSAXMXSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001032837234 666289123 /nfs/dbraw/zinc/28/91/23/666289123.db2.gz YAUDBPUDVOSCEK-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001032837234 666289126 /nfs/dbraw/zinc/28/91/26/666289126.db2.gz YAUDBPUDVOSCEK-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001032837234 666289128 /nfs/dbraw/zinc/28/91/28/666289128.db2.gz YAUDBPUDVOSCEK-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001032837234 666289131 /nfs/dbraw/zinc/28/91/31/666289131.db2.gz YAUDBPUDVOSCEK-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC001032837156 666289185 /nfs/dbraw/zinc/28/91/85/666289185.db2.gz RMBXCZHMNZKPSD-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC001032837156 666289187 /nfs/dbraw/zinc/28/91/87/666289187.db2.gz RMBXCZHMNZKPSD-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](CC)OC)C1 ZINC001032837156 666289189 /nfs/dbraw/zinc/28/91/89/666289189.db2.gz RMBXCZHMNZKPSD-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](CC)OC)C1 ZINC001032837156 666289191 /nfs/dbraw/zinc/28/91/91/666289191.db2.gz RMBXCZHMNZKPSD-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001035366752 667307022 /nfs/dbraw/zinc/30/70/22/667307022.db2.gz QTOPMKOKMMKOJG-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035366752 667307024 /nfs/dbraw/zinc/30/70/24/667307024.db2.gz QTOPMKOKMMKOJG-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035366752 667307026 /nfs/dbraw/zinc/30/70/26/667307026.db2.gz QTOPMKOKMMKOJG-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035366752 667307028 /nfs/dbraw/zinc/30/70/28/667307028.db2.gz QTOPMKOKMMKOJG-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035835717 667413906 /nfs/dbraw/zinc/41/39/06/667413906.db2.gz ASNUNYJEIZMHFS-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000884180249 667491306 /nfs/dbraw/zinc/49/13/06/667491306.db2.gz RBBYVXPAPWSUML-KBPBESRZSA-N 2 2 311.426 0.814 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000884180249 667491310 /nfs/dbraw/zinc/49/13/10/667491310.db2.gz RBBYVXPAPWSUML-KBPBESRZSA-N 2 2 311.426 0.814 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000876733445 668498542 /nfs/dbraw/zinc/49/85/42/668498542.db2.gz YBGWMYSSIMEFNW-QWHCGFSZSA-N 2 2 301.818 0.780 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876764904 668505277 /nfs/dbraw/zinc/50/52/77/668505277.db2.gz PEAIPHCZCYRZPO-GXTWGEPZSA-N 3 2 314.861 0.741 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876764904 668505280 /nfs/dbraw/zinc/50/52/80/668505280.db2.gz PEAIPHCZCYRZPO-GXTWGEPZSA-N 3 2 314.861 0.741 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876764913 668505967 /nfs/dbraw/zinc/50/59/67/668505967.db2.gz PEAIPHCZCYRZPO-TZMCWYRMSA-N 3 2 314.861 0.741 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876764913 668505970 /nfs/dbraw/zinc/50/59/70/668505970.db2.gz PEAIPHCZCYRZPO-TZMCWYRMSA-N 3 2 314.861 0.741 20 30 DCEDLP C#C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCO1 ZINC000775346545 668861368 /nfs/dbraw/zinc/86/13/68/668861368.db2.gz UVGQXEFWWYBSNK-HZPDHXFCSA-N 2 2 315.421 0.499 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCCOC3)cn2)CC1 ZINC000780257078 668976509 /nfs/dbraw/zinc/97/65/09/668976509.db2.gz FXELHWVROWWLQF-CQSZACIVSA-N 2 2 304.398 0.331 20 30 DCEDLP C=C(C)C[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000883416716 669682533 /nfs/dbraw/zinc/68/25/33/669682533.db2.gz CHGQLZUDCQBGKT-CABCVRRESA-N 2 2 324.469 0.781 20 30 DCEDLP C=C(C)C[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000883416716 669682535 /nfs/dbraw/zinc/68/25/35/669682535.db2.gz CHGQLZUDCQBGKT-CABCVRRESA-N 2 2 324.469 0.781 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC000950534107 670052577 /nfs/dbraw/zinc/05/25/77/670052577.db2.gz SEXFKMYVTMRLCS-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC000950534107 670052581 /nfs/dbraw/zinc/05/25/81/670052581.db2.gz SEXFKMYVTMRLCS-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000949217643 670289807 /nfs/dbraw/zinc/28/98/07/670289807.db2.gz OZZDYBAJAMEVQY-UHFFFAOYSA-N 2 2 316.405 0.669 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949466568 670348333 /nfs/dbraw/zinc/34/83/33/670348333.db2.gz KIHAFSGEHGOABL-MRXNPFEDSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949466568 670348334 /nfs/dbraw/zinc/34/83/34/670348334.db2.gz KIHAFSGEHGOABL-MRXNPFEDSA-N 2 2 321.465 0.899 20 30 DCEDLP CCC(CC)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCOCC1 ZINC000834490386 671764281 /nfs/dbraw/zinc/76/42/81/671764281.db2.gz UTWNCMCKAGCZIY-RRFJBIMHSA-N 2 2 308.426 0.351 20 30 DCEDLP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000834506230 671767226 /nfs/dbraw/zinc/76/72/26/671767226.db2.gz QXOLLPSTVRHCKN-HOCLYGCPSA-N 2 2 309.373 0.702 20 30 DCEDLP Cc1cc(C=NNC2=[NH+]CCN2)c(C)n1CC[NH+]1CCOCC1 ZINC000841659191 671946768 /nfs/dbraw/zinc/94/67/68/671946768.db2.gz MPQJNCFTMWALEF-UHFFFAOYSA-N 2 2 318.425 0.320 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000962653823 688961986 /nfs/dbraw/zinc/96/19/86/688961986.db2.gz PMPNETRKYYBDNU-RQJABVFESA-N 2 2 313.829 0.506 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000962653823 688961989 /nfs/dbraw/zinc/96/19/89/688961989.db2.gz PMPNETRKYYBDNU-RQJABVFESA-N 2 2 313.829 0.506 20 30 DCEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962653823 688961991 /nfs/dbraw/zinc/96/19/91/688961991.db2.gz PMPNETRKYYBDNU-RQJABVFESA-N 2 2 313.829 0.506 20 30 DCEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000962653823 688961993 /nfs/dbraw/zinc/96/19/93/688961993.db2.gz PMPNETRKYYBDNU-RQJABVFESA-N 2 2 313.829 0.506 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@H+]1CCO ZINC000968894040 690416489 /nfs/dbraw/zinc/41/64/89/690416489.db2.gz YQLADLVUHPHAKV-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[N@@H+]1CCO ZINC000968894040 690416492 /nfs/dbraw/zinc/41/64/92/690416492.db2.gz YQLADLVUHPHAKV-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCO ZINC000968894040 690416495 /nfs/dbraw/zinc/41/64/95/690416495.db2.gz YQLADLVUHPHAKV-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCC[NH+]1CCO ZINC000968894040 690416497 /nfs/dbraw/zinc/41/64/97/690416497.db2.gz YQLADLVUHPHAKV-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001039470647 694370798 /nfs/dbraw/zinc/37/07/98/694370798.db2.gz LIUMUBZBRRSWHY-ZACQAIPSSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001039470647 694370801 /nfs/dbraw/zinc/37/08/01/694370801.db2.gz LIUMUBZBRRSWHY-ZACQAIPSSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC000968954406 690434282 /nfs/dbraw/zinc/43/42/82/690434282.db2.gz JPYBAXNVHICLQJ-CABCVRRESA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC000968954406 690434283 /nfs/dbraw/zinc/43/42/83/690434283.db2.gz JPYBAXNVHICLQJ-CABCVRRESA-N 2 2 316.405 0.771 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015620930 692367700 /nfs/dbraw/zinc/36/77/00/692367700.db2.gz PMBMQULHVUQMDC-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015620930 692367703 /nfs/dbraw/zinc/36/77/03/692367703.db2.gz PMBMQULHVUQMDC-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065303 693037496 /nfs/dbraw/zinc/03/74/96/693037496.db2.gz PWXXYRILEVYCHU-IYBDPMFKSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065303 693037501 /nfs/dbraw/zinc/03/75/01/693037501.db2.gz PWXXYRILEVYCHU-IYBDPMFKSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001018985722 693307071 /nfs/dbraw/zinc/30/70/71/693307071.db2.gz BGVORBNOKAIHGJ-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC001018985722 693307075 /nfs/dbraw/zinc/30/70/75/693307075.db2.gz BGVORBNOKAIHGJ-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664687 694762251 /nfs/dbraw/zinc/76/22/51/694762251.db2.gz NADZSGVVCAZAGU-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664687 694762252 /nfs/dbraw/zinc/76/22/52/694762252.db2.gz NADZSGVVCAZAGU-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001571550817 1162805890 /nfs/dbraw/zinc/80/58/90/1162805890.db2.gz UTQJRGUMRCOCGZ-GJZGRUSLSA-N 2 2 304.394 0.407 20 30 DCEDLP C[NH+](C)CCCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001671603635 1157501136 /nfs/dbraw/zinc/50/11/36/1157501136.db2.gz SIBFPCNQGFYHJD-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001755018160 1157907490 /nfs/dbraw/zinc/90/74/90/1157907490.db2.gz QMAWDRQTOQDJKG-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001566780018 1160150466 /nfs/dbraw/zinc/15/04/66/1160150466.db2.gz ZORRTUBBNMYVJP-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1nonc1C ZINC001568749338 1160759821 /nfs/dbraw/zinc/75/98/21/1160759821.db2.gz ZNYPOMJUTWMPOO-HNNXBMFYSA-N 2 2 319.409 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ZINC001569362242 1161026216 /nfs/dbraw/zinc/02/62/16/1161026216.db2.gz XHTRYYIZFVGUJP-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001569362242 1161026222 /nfs/dbraw/zinc/02/62/22/1161026222.db2.gz XHTRYYIZFVGUJP-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001569362242 1161026230 /nfs/dbraw/zinc/02/62/30/1161026230.db2.gz XHTRYYIZFVGUJP-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001569362242 1161026232 /nfs/dbraw/zinc/02/62/32/1161026232.db2.gz XHTRYYIZFVGUJP-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001569362241 1161026874 /nfs/dbraw/zinc/02/68/74/1161026874.db2.gz XHTRYYIZFVGUJP-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001569362241 1161026882 /nfs/dbraw/zinc/02/68/82/1161026882.db2.gz XHTRYYIZFVGUJP-CVEARBPZSA-N 2 2 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30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001713458099 1180839710 /nfs/dbraw/zinc/83/97/10/1180839710.db2.gz YPLSAQBJYVMBGB-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)CCc1[nH+]ccn1C ZINC001713489109 1180864565 /nfs/dbraw/zinc/86/45/65/1180864565.db2.gz HIVGVHRABQBBEX-UHFFFAOYSA-N 2 2 306.410 0.441 20 30 DCEDLP CC[N@H+](CC#CCOC)CCNC(=O)CCc1[nH+]ccn1C ZINC001713489109 1180864573 /nfs/dbraw/zinc/86/45/73/1180864573.db2.gz HIVGVHRABQBBEX-UHFFFAOYSA-N 2 2 306.410 0.441 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001713519044 1180891084 /nfs/dbraw/zinc/89/10/84/1180891084.db2.gz RFPQJNNYOOVFNG-CQSZACIVSA-N 2 2 304.394 0.491 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001713519044 1180891091 /nfs/dbraw/zinc/89/10/91/1180891091.db2.gz RFPQJNNYOOVFNG-CQSZACIVSA-N 2 2 304.394 0.491 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nccc(C)n1 ZINC001713601596 1180957972 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COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001713940269 1181162889 /nfs/dbraw/zinc/16/28/89/1181162889.db2.gz BJGVXECJLJVIQA-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001713940269 1181162894 /nfs/dbraw/zinc/16/28/94/1181162894.db2.gz BJGVXECJLJVIQA-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001714046651 1181223296 /nfs/dbraw/zinc/22/32/96/1181223296.db2.gz JBYXLTHFUGGVDQ-HNNXBMFYSA-N 2 2 304.394 0.525 20 30 DCEDLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714046651 1181223304 /nfs/dbraw/zinc/22/33/04/1181223304.db2.gz JBYXLTHFUGGVDQ-HNNXBMFYSA-N 2 2 304.394 0.525 20 30 DCEDLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714046652 1181223939 /nfs/dbraw/zinc/22/39/39/1181223939.db2.gz JBYXLTHFUGGVDQ-OAHLLOKOSA-N 2 2 304.394 0.525 20 30 DCEDLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714046652 1181223944 /nfs/dbraw/zinc/22/39/44/1181223944.db2.gz JBYXLTHFUGGVDQ-OAHLLOKOSA-N 2 2 304.394 0.525 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001715004716 1181642910 /nfs/dbraw/zinc/64/29/10/1181642910.db2.gz IGRCIPHXOAZIMN-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001715004716 1181642917 /nfs/dbraw/zinc/64/29/17/1181642917.db2.gz IGRCIPHXOAZIMN-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1csnn1 ZINC001715653395 1181925989 /nfs/dbraw/zinc/92/59/89/1181925989.db2.gz NJFZDOKQTXOCFW-OCCSQVGLSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1csnn1 ZINC001715653395 1181925994 /nfs/dbraw/zinc/92/59/94/1181925994.db2.gz NJFZDOKQTXOCFW-OCCSQVGLSA-N 2 2 321.450 0.620 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001716921737 1182575901 /nfs/dbraw/zinc/57/59/01/1182575901.db2.gz WDZPSIBYCXILJL-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001716921737 1182575905 /nfs/dbraw/zinc/57/59/05/1182575905.db2.gz WDZPSIBYCXILJL-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001717267710 1182758052 /nfs/dbraw/zinc/75/80/52/1182758052.db2.gz XZRTZZXDBXDWJG-AWEZNQCLSA-N 2 2 318.421 0.867 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001717267710 1182758057 /nfs/dbraw/zinc/75/80/57/1182758057.db2.gz XZRTZZXDBXDWJG-AWEZNQCLSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001723061405 1184256478 /nfs/dbraw/zinc/25/64/78/1184256478.db2.gz MBVDNTGNQQVIAI-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723482123 1184316159 /nfs/dbraw/zinc/31/61/59/1184316159.db2.gz BHNXQVTUHGNUIH-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723482123 1184316168 /nfs/dbraw/zinc/31/61/68/1184316168.db2.gz BHNXQVTUHGNUIH-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP C=CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001724915065 1184618017 /nfs/dbraw/zinc/61/80/17/1184618017.db2.gz JBEOLVQCQMMZHX-AWEZNQCLSA-N 2 2 311.426 0.148 20 30 DCEDLP C=CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001724915065 1184618021 /nfs/dbraw/zinc/61/80/21/1184618021.db2.gz JBEOLVQCQMMZHX-AWEZNQCLSA-N 2 2 311.426 0.148 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001731523573 1185374157 /nfs/dbraw/zinc/37/41/57/1185374157.db2.gz RELRHDCVEUKGOV-CQSZACIVSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nc(C)no2)CC1 ZINC001731639844 1185423351 /nfs/dbraw/zinc/42/33/51/1185423351.db2.gz JYFHYRBJYLHYCK-LBPRGKRZSA-N 2 2 319.409 0.318 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001731736379 1185463615 /nfs/dbraw/zinc/46/36/15/1185463615.db2.gz FYYYZMQINDCCLS-CHWSQXEVSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147640 1185699769 /nfs/dbraw/zinc/69/97/69/1185699769.db2.gz UFABVLAXZRWJOS-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147640 1185699773 /nfs/dbraw/zinc/69/97/73/1185699773.db2.gz UFABVLAXZRWJOS-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001732449877 1185823147 /nfs/dbraw/zinc/82/31/47/1185823147.db2.gz UQZIUBIUVZMYDH-OLZOCXBDSA-N 2 2 319.409 0.176 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](CC#C)CC1 ZINC001733374827 1186246140 /nfs/dbraw/zinc/24/61/40/1186246140.db2.gz BRSXDLBIMPKYNP-KRWDZBQOSA-N 2 2 317.433 0.267 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CC#C)CC1 ZINC001733374827 1186246146 /nfs/dbraw/zinc/24/61/46/1186246146.db2.gz BRSXDLBIMPKYNP-KRWDZBQOSA-N 2 2 317.433 0.267 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411083 1186261863 /nfs/dbraw/zinc/26/18/63/1186261863.db2.gz FAIQYVAZGLBCLW-RHSMWYFYSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411083 1186261868 /nfs/dbraw/zinc/26/18/68/1186261868.db2.gz FAIQYVAZGLBCLW-RHSMWYFYSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001733490507 1186298508 /nfs/dbraw/zinc/29/85/08/1186298508.db2.gz JCAQKJKIEUUIGI-BBRMVZONSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001733490507 1186298512 /nfs/dbraw/zinc/29/85/12/1186298512.db2.gz JCAQKJKIEUUIGI-BBRMVZONSA-N 2 2 306.410 0.860 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001733818424 1186459820 /nfs/dbraw/zinc/45/98/20/1186459820.db2.gz FJXPJMOYOXSMRT-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001734186085 1186573703 /nfs/dbraw/zinc/57/37/03/1186573703.db2.gz ZWWFDEKYMIECEG-DZGCQCFKSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001734420099 1186648252 /nfs/dbraw/zinc/64/82/52/1186648252.db2.gz QRQPGCUHACKPSS-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001753112124 1188502685 /nfs/dbraw/zinc/50/26/85/1188502685.db2.gz WGHSANHGHLIMKP-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001753112124 1188502688 /nfs/dbraw/zinc/50/26/88/1188502688.db2.gz WGHSANHGHLIMKP-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001753112124 1188502690 /nfs/dbraw/zinc/50/26/90/1188502690.db2.gz WGHSANHGHLIMKP-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001753112124 1188502693 /nfs/dbraw/zinc/50/26/93/1188502693.db2.gz 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ZINC001047439573 754284341 /nfs/dbraw/zinc/28/43/41/754284341.db2.gz LRQDCTPIBDFLPM-IKGGRYGDSA-N 2 2 321.465 0.634 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439573 754284346 /nfs/dbraw/zinc/28/43/46/754284346.db2.gz LRQDCTPIBDFLPM-IKGGRYGDSA-N 2 2 321.465 0.634 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439573 754284349 /nfs/dbraw/zinc/28/43/49/754284349.db2.gz LRQDCTPIBDFLPM-IKGGRYGDSA-N 2 2 321.465 0.634 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001047638446 754453910 /nfs/dbraw/zinc/45/39/10/754453910.db2.gz SNYOSWYQQXULSM-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001047638446 754453914 /nfs/dbraw/zinc/45/39/14/754453914.db2.gz SNYOSWYQQXULSM-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638446 754453918 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ZINC001271973840 941497160 /nfs/dbraw/zinc/49/71/60/941497160.db2.gz NJQDSAAEOUTXBQ-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001271973840 941497164 /nfs/dbraw/zinc/49/71/64/941497164.db2.gz NJQDSAAEOUTXBQ-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccnn1C ZINC001482603970 941581998 /nfs/dbraw/zinc/58/19/98/941581998.db2.gz ZOLLDUSXLJXWNR-INIZCTEOSA-N 2 2 317.437 0.408 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccnn1C ZINC001482603970 941582001 /nfs/dbraw/zinc/58/20/01/941582001.db2.gz ZOLLDUSXLJXWNR-INIZCTEOSA-N 2 2 317.437 0.408 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccnn1C ZINC001482603970 941582004 /nfs/dbraw/zinc/58/20/04/941582004.db2.gz ZOLLDUSXLJXWNR-INIZCTEOSA-N 2 2 317.437 0.408 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccnn1C ZINC001482603970 941582006 /nfs/dbraw/zinc/58/20/06/941582006.db2.gz ZOLLDUSXLJXWNR-INIZCTEOSA-N 2 2 317.437 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20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001491133172 943778492 /nfs/dbraw/zinc/77/84/92/943778492.db2.gz KBSHWPGTCRXMHV-OAHLLOKOSA-N 2 2 304.394 0.361 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001491133172 943778496 /nfs/dbraw/zinc/77/84/96/943778496.db2.gz KBSHWPGTCRXMHV-OAHLLOKOSA-N 2 2 304.394 0.361 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491178177 943807072 /nfs/dbraw/zinc/80/70/72/943807072.db2.gz CDLYBOJESYJJES-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485995397 944470153 /nfs/dbraw/zinc/47/01/53/944470153.db2.gz HQHQLHWXYNUSKA-OAHLLOKOSA-N 2 2 320.437 0.795 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001276942642 944601896 /nfs/dbraw/zinc/60/18/96/944601896.db2.gz YVALPXHGOBRQTL-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001276942642 944601899 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C#CCC[NH+]1CC(N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001277618188 944909874 /nfs/dbraw/zinc/90/98/74/944909874.db2.gz NXZKNTITKKWHMT-UHFFFAOYSA-N 2 2 307.438 0.511 20 30 DCEDLP CC#CC[N@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001317553477 945045865 /nfs/dbraw/zinc/04/58/65/945045865.db2.gz LKZZALOFCMLPLW-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001317553477 945045876 /nfs/dbraw/zinc/04/58/76/945045876.db2.gz LKZZALOFCMLPLW-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251836202 945788451 /nfs/dbraw/zinc/78/84/51/945788451.db2.gz WHGRWVSVKSWRFF-KSZLIROESA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251836202 945788459 /nfs/dbraw/zinc/78/84/59/945788459.db2.gz WHGRWVSVKSWRFF-KSZLIROESA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001251836202 945788465 /nfs/dbraw/zinc/78/84/65/945788465.db2.gz WHGRWVSVKSWRFF-KSZLIROESA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001251836202 945788472 /nfs/dbraw/zinc/78/84/72/945788472.db2.gz WHGRWVSVKSWRFF-KSZLIROESA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001278922849 946603548 /nfs/dbraw/zinc/60/35/48/946603548.db2.gz NRAUEAVYCAUDNA-HUUCEWRRSA-N 2 2 307.438 0.293 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322193899 946608417 /nfs/dbraw/zinc/60/84/17/946608417.db2.gz ODYYHZVLHKCAQY-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322193899 946608410 /nfs/dbraw/zinc/60/84/10/946608410.db2.gz ODYYHZVLHKCAQY-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001279029434 946750953 /nfs/dbraw/zinc/75/09/53/946750953.db2.gz CYSJYUZTMFJATR-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457242 947299385 /nfs/dbraw/zinc/29/93/85/947299385.db2.gz BWDJYSFAEBLQRB-UKRRQHHQSA-N 3 2 307.442 0.292 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457242 947299390 /nfs/dbraw/zinc/29/93/90/947299390.db2.gz BWDJYSFAEBLQRB-UKRRQHHQSA-N 3 2 307.442 0.292 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224295 949460088 /nfs/dbraw/zinc/46/00/88/949460088.db2.gz ABSWYAFEPDROBY-CVEARBPZSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224295 949460097 /nfs/dbraw/zinc/46/00/97/949460097.db2.gz ABSWYAFEPDROBY-CVEARBPZSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265224295 949460103 /nfs/dbraw/zinc/46/01/03/949460103.db2.gz ABSWYAFEPDROBY-CVEARBPZSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265224295 949460115 /nfs/dbraw/zinc/46/01/15/949460115.db2.gz ABSWYAFEPDROBY-CVEARBPZSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224298 949465290 /nfs/dbraw/zinc/46/52/90/949465290.db2.gz ABSWYAFEPDROBY-JKSUJKDBSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224298 949465296 /nfs/dbraw/zinc/46/52/96/949465296.db2.gz ABSWYAFEPDROBY-JKSUJKDBSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265224298 949465308 /nfs/dbraw/zinc/46/53/08/949465308.db2.gz ABSWYAFEPDROBY-JKSUJKDBSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265224298 949465316 /nfs/dbraw/zinc/46/53/16/949465316.db2.gz ABSWYAFEPDROBY-JKSUJKDBSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001489076134 949469828 /nfs/dbraw/zinc/46/98/28/949469828.db2.gz GXXQTMSZTYUDFZ-ZDUSSCGKSA-N 2 2 317.393 0.006 20 30 DCEDLP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001489076134 949469831 /nfs/dbraw/zinc/46/98/31/949469831.db2.gz GXXQTMSZTYUDFZ-ZDUSSCGKSA-N 2 2 317.393 0.006 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265297273 949564550 /nfs/dbraw/zinc/56/45/50/949564550.db2.gz NLYHZOVMGPNVBB-HNNXBMFYSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265297273 949564560 /nfs/dbraw/zinc/56/45/60/949564560.db2.gz NLYHZOVMGPNVBB-HNNXBMFYSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265297274 949564866 /nfs/dbraw/zinc/56/48/66/949564866.db2.gz NLYHZOVMGPNVBB-OAHLLOKOSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001265297274 949564877 /nfs/dbraw/zinc/56/48/77/949564877.db2.gz NLYHZOVMGPNVBB-OAHLLOKOSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001490414739 950678285 /nfs/dbraw/zinc/67/82/85/950678285.db2.gz QPHVFKYUXGTOAA-UHFFFAOYSA-N 2 2 318.421 0.846 20 30 DCEDLP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001331238223 951034449 /nfs/dbraw/zinc/03/44/49/951034449.db2.gz XKOOSKYGSJONFF-CQSZACIVSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2 ZINC001274654948 951770886 /nfs/dbraw/zinc/77/08/86/951770886.db2.gz HTJGRBJJKWNXIS-CVEARBPZSA-N 2 2 321.465 0.541 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001280593427 951909103 /nfs/dbraw/zinc/90/91/03/951909103.db2.gz BDCTYEMGQMAOAL-OAHLLOKOSA-N 2 2 318.421 0.767 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275209513 952009937 /nfs/dbraw/zinc/00/99/37/952009937.db2.gz SKOYQUOOAYIMGI-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001340111604 953146162 /nfs/dbraw/zinc/14/61/62/953146162.db2.gz FQGHQIZAKCQBTH-UHFFFAOYSA-N 2 2 314.433 0.273 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001340111604 953146167 /nfs/dbraw/zinc/14/61/67/953146167.db2.gz FQGHQIZAKCQBTH-UHFFFAOYSA-N 2 2 314.433 0.273 20 30 DCEDLP C=CCn1c(C2=[NH+]O[C@H](CO)C2)nnc1N1CC[NH+](CC)CC1 ZINC001340396110 953166321 /nfs/dbraw/zinc/16/63/21/953166321.db2.gz YTCSHWGMXDUCMA-LBPRGKRZSA-N 2 2 320.397 0.091 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC001347853817 954174426 /nfs/dbraw/zinc/17/44/26/954174426.db2.gz PAWUDYGJJFZSQS-PMPSAXMXSA-N 2 2 321.469 0.018 20 30 DCEDLP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284700601 955238924 /nfs/dbraw/zinc/23/89/24/955238924.db2.gz YZCXTYPXICZNRA-CQSZACIVSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001353580961 956113483 /nfs/dbraw/zinc/11/34/83/956113483.db2.gz FBRFAIFYNBHROO-INIZCTEOSA-N 2 2 314.433 0.536 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001286473855 956275908 /nfs/dbraw/zinc/27/59/08/956275908.db2.gz YWQYDHILJNWVOJ-INIZCTEOSA-N 2 2 316.453 0.684 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001286473855 956275917 /nfs/dbraw/zinc/27/59/17/956275917.db2.gz YWQYDHILJNWVOJ-INIZCTEOSA-N 2 2 316.453 0.684 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392385622 991853456 /nfs/dbraw/zinc/85/34/56/991853456.db2.gz ZEIXFKNEBKYIBF-RYUDHWBXSA-N 2 2 312.801 0.265 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001507447271 1016334728 /nfs/dbraw/zinc/33/47/28/1016334728.db2.gz MZEQHJDDWMYHAN-CYBMUJFWSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)CC[NH+]1CCOCC1 ZINC001418571660 1000356317 /nfs/dbraw/zinc/35/63/17/1000356317.db2.gz XYCKLPIKHRPNKT-UHFFFAOYSA-N 2 2 303.834 0.899 20 30 DCEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)CC[NH+]1CCOCC1 ZINC001418571660 1000356324 /nfs/dbraw/zinc/35/63/24/1000356324.db2.gz XYCKLPIKHRPNKT-UHFFFAOYSA-N 2 2 303.834 0.899 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001422344353 1009918802 /nfs/dbraw/zinc/91/88/02/1009918802.db2.gz JISSLDHAJNNJEJ-DGCLKSJQSA-N 2 2 312.801 0.265 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001479262561 1017459934 /nfs/dbraw/zinc/45/99/34/1017459934.db2.gz BSOQCKPKKVXDGG-GDBMZVCRSA-N 2 2 324.469 0.408 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001479262561 1017459942 /nfs/dbraw/zinc/45/99/42/1017459942.db2.gz BSOQCKPKKVXDGG-GDBMZVCRSA-N 2 2 324.469 0.408 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001480059611 1018170832 /nfs/dbraw/zinc/17/08/32/1018170832.db2.gz ISXICCNNTAOVKF-HNNXBMFYSA-N 2 2 304.394 0.097 20 30 DCEDLP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689191 1018578474 /nfs/dbraw/zinc/57/84/74/1018578474.db2.gz DYPDAQCULIHTNO-RDJZCZTQSA-N 2 2 318.421 0.657 20 30 DCEDLP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689191 1018578484 /nfs/dbraw/zinc/57/84/84/1018578484.db2.gz DYPDAQCULIHTNO-RDJZCZTQSA-N 2 2 318.421 0.657 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001500770254 1018648098 /nfs/dbraw/zinc/64/80/98/1018648098.db2.gz ZQTXIXASCJGAPB-INIZCTEOSA-N 2 2 304.394 0.240 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001500770254 1018648102 /nfs/dbraw/zinc/64/81/02/1018648102.db2.gz ZQTXIXASCJGAPB-INIZCTEOSA-N 2 2 304.394 0.240 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501655821 1019361173 /nfs/dbraw/zinc/36/11/73/1019361173.db2.gz ZQJOXOVOXIUSEI-CQSZACIVSA-N 2 2 319.409 0.014 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000491209904 241109319 /nfs/dbraw/zinc/10/93/19/241109319.db2.gz NLXJKPWTJQGMMP-INIZCTEOSA-N 2 2 307.438 0.151 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(C#N)n3)C2)CC1 ZINC000589414857 396713985 /nfs/dbraw/zinc/71/39/85/396713985.db2.gz NVFRGCPXQYDCCA-AWEZNQCLSA-N 2 2 313.405 0.852 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(C#N)n3)C2)CC1 ZINC000589414857 396713989 /nfs/dbraw/zinc/71/39/89/396713989.db2.gz NVFRGCPXQYDCCA-AWEZNQCLSA-N 2 2 313.405 0.852 20 30 DCEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611173999 396828138 /nfs/dbraw/zinc/82/81/38/396828138.db2.gz UJRJEADFMRYEOD-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590600436 396811140 /nfs/dbraw/zinc/81/11/40/396811140.db2.gz OMJVAHXKZXWJLC-MRXNPFEDSA-N 2 2 322.453 0.935 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590600436 396811151 /nfs/dbraw/zinc/81/11/51/396811151.db2.gz OMJVAHXKZXWJLC-MRXNPFEDSA-N 2 2 322.453 0.935 20 30 DCEDLP CC(C)[C@H](C#N)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000619780487 397191360 /nfs/dbraw/zinc/19/13/60/397191360.db2.gz PRTMPXOIYULSFG-INIZCTEOSA-N 2 2 321.469 0.316 20 30 DCEDLP N#CC[C@@]1(O)CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852933 397502241 /nfs/dbraw/zinc/50/22/41/397502241.db2.gz UNSQSVSGGCMXKD-QZTJIDSGSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@@]1(O)CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852933 397502245 /nfs/dbraw/zinc/50/22/45/397502245.db2.gz UNSQSVSGGCMXKD-QZTJIDSGSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@@]1(O)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602852933 397502248 /nfs/dbraw/zinc/50/22/48/397502248.db2.gz UNSQSVSGGCMXKD-QZTJIDSGSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@@]1(O)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602852933 397502253 /nfs/dbraw/zinc/50/22/53/397502253.db2.gz UNSQSVSGGCMXKD-QZTJIDSGSA-N 2 2 315.417 0.974 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763154 415320058 /nfs/dbraw/zinc/32/00/58/415320058.db2.gz SDHQKDWMHPRYNQ-OAHLLOKOSA-N 2 2 322.453 0.281 20 30 DCEDLP C=CCCC[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000118000422 415732338 /nfs/dbraw/zinc/73/23/38/415732338.db2.gz RWTXKTYRCVMERE-UHFFFAOYSA-N 2 2 316.471 0.062 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129429866 415906979 /nfs/dbraw/zinc/90/69/79/415906979.db2.gz CLLNTKVVPSSRIF-MRXNPFEDSA-N 2 2 307.438 0.841 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129429866 415906983 /nfs/dbraw/zinc/90/69/83/415906983.db2.gz CLLNTKVVPSSRIF-MRXNPFEDSA-N 2 2 307.438 0.841 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000296463658 415927538 /nfs/dbraw/zinc/92/75/38/415927538.db2.gz LEISKFNRXFIGCX-OAHLLOKOSA-N 2 2 315.421 0.915 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000296463658 415927544 /nfs/dbraw/zinc/92/75/44/415927544.db2.gz LEISKFNRXFIGCX-OAHLLOKOSA-N 2 2 315.421 0.915 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919857 415957557 /nfs/dbraw/zinc/95/75/57/415957557.db2.gz PJAHYFSSDRXORC-UKRRQHHQSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919857 415957561 /nfs/dbraw/zinc/95/75/61/415957561.db2.gz PJAHYFSSDRXORC-UKRRQHHQSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134919857 415957563 /nfs/dbraw/zinc/95/75/63/415957563.db2.gz PJAHYFSSDRXORC-UKRRQHHQSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134919857 415957569 /nfs/dbraw/zinc/95/75/69/415957569.db2.gz PJAHYFSSDRXORC-UKRRQHHQSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131707986 415931213 /nfs/dbraw/zinc/93/12/13/415931213.db2.gz ZNWJXWFYBJSFFJ-JSGCOSHPSA-N 2 2 318.377 0.935 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131707986 415931218 /nfs/dbraw/zinc/93/12/18/415931218.db2.gz ZNWJXWFYBJSFFJ-JSGCOSHPSA-N 2 2 318.377 0.935 20 30 DCEDLP COCC[NH+]1CCC(NC(=O)N2CCn3cc[nH+]c3C2)CC1 ZINC000329852317 416192755 /nfs/dbraw/zinc/19/27/55/416192755.db2.gz RIQFXXXWAAVBBE-UHFFFAOYSA-N 2 2 307.398 0.724 20 30 DCEDLP Cn1cc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)cc1C#N ZINC000359715187 416354807 /nfs/dbraw/zinc/35/48/07/416354807.db2.gz KPMLBRGZFVMGQD-UHFFFAOYSA-N 2 2 319.453 0.376 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)CC1 ZINC000491241487 416592287 /nfs/dbraw/zinc/59/22/87/416592287.db2.gz JPXAQFIVYHJFSB-OAHLLOKOSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CC2CCC2)[C@H](C)CO)CC1 ZINC000491241487 416592291 /nfs/dbraw/zinc/59/22/91/416592291.db2.gz JPXAQFIVYHJFSB-OAHLLOKOSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2[C@H](C)C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000491296814 416595070 /nfs/dbraw/zinc/59/50/70/416595070.db2.gz NHHSZFCFUPLJEU-IYBDPMFKSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000491638034 416609007 /nfs/dbraw/zinc/60/90/07/416609007.db2.gz ZESOEMMIQVYOFG-DJIMGWMZSA-N 2 2 317.433 0.311 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000491120693 416587201 /nfs/dbraw/zinc/58/72/01/416587201.db2.gz MSLWBHAABALAFB-GOSISDBHSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000491120693 416587204 /nfs/dbraw/zinc/58/72/04/416587204.db2.gz MSLWBHAABALAFB-GOSISDBHSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000491120693 416587207 /nfs/dbraw/zinc/58/72/07/416587207.db2.gz MSLWBHAABALAFB-GOSISDBHSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000491120693 416587208 /nfs/dbraw/zinc/58/72/08/416587208.db2.gz MSLWBHAABALAFB-GOSISDBHSA-N 2 2 318.465 0.182 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000636676458 416818478 /nfs/dbraw/zinc/81/84/78/416818478.db2.gz IADOVYOTUUHHKI-UHFFFAOYSA-N 2 2 319.409 0.525 20 30 DCEDLP Cc1nn(C)c(N2CC[NH+](CCn3cc[nH+]c3C)CC2)c1C#N ZINC000530360977 417572021 /nfs/dbraw/zinc/57/20/21/417572021.db2.gz VFYGAZYEUBKNTQ-UHFFFAOYSA-N 2 2 313.409 0.927 20 30 DCEDLP C[C@H](C[NH+]=C([O-])N1CCn2cc[nH+]c2C1)C[NH+]1CCOCC1 ZINC000329468164 279240976 /nfs/dbraw/zinc/24/09/76/279240976.db2.gz WRPXNXSGTQNPKS-CYBMUJFWSA-N 2 2 307.398 0.581 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000104178668 293017868 /nfs/dbraw/zinc/01/78/68/293017868.db2.gz OOEVZSZUYFDHNN-JSGCOSHPSA-N 2 2 316.471 0.134 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329945815 336098422 /nfs/dbraw/zinc/09/84/22/336098422.db2.gz JGASOMNULOOLSZ-UONOGXRCSA-N 2 2 320.441 0.195 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329945815 336098424 /nfs/dbraw/zinc/09/84/24/336098424.db2.gz JGASOMNULOOLSZ-UONOGXRCSA-N 2 2 320.441 0.195 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329945815 336098426 /nfs/dbraw/zinc/09/84/26/336098426.db2.gz JGASOMNULOOLSZ-UONOGXRCSA-N 2 2 320.441 0.195 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329945815 336098428 /nfs/dbraw/zinc/09/84/28/336098428.db2.gz JGASOMNULOOLSZ-UONOGXRCSA-N 2 2 320.441 0.195 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000490951475 339844657 /nfs/dbraw/zinc/84/46/57/339844657.db2.gz YMFBRCOCOMCQOQ-DLBZAZTESA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000491638724 339870365 /nfs/dbraw/zinc/87/03/65/339870365.db2.gz WDFGRPSJEFLZDQ-BMFZPTHFSA-N 2 2 305.422 0.167 20 30 DCEDLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696549 534440826 /nfs/dbraw/zinc/44/08/26/534440826.db2.gz DFIUMYCQGBXQEV-HUUCEWRRSA-N 2 2 308.426 0.259 20 30 DCEDLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696549 534440819 /nfs/dbraw/zinc/44/08/19/534440819.db2.gz DFIUMYCQGBXQEV-HUUCEWRRSA-N 2 2 308.426 0.259 20 30 DCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCO[C@@H](COC)C1 ZINC000262011020 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2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637750 658138905 /nfs/dbraw/zinc/13/89/05/658138905.db2.gz DVPJTESBZUGBQW-NVXWUHKLSA-N 2 2 307.438 0.818 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnon2)C1 ZINC000998927266 665551013 /nfs/dbraw/zinc/55/10/13/665551013.db2.gz DUBAUSJPMYZJKV-ZALBZXLWSA-N 2 2 317.393 0.246 20 30 DCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969996386 658327768 /nfs/dbraw/zinc/32/77/68/658327768.db2.gz IKIHWTRSZIBLIZ-KBPBESRZSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295194 658532771 /nfs/dbraw/zinc/53/27/71/658532771.db2.gz ROLJHNMRZNUSQC-NVXWUHKLSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295194 658532777 /nfs/dbraw/zinc/53/27/77/658532777.db2.gz ROLJHNMRZNUSQC-NVXWUHKLSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295194 658532780 /nfs/dbraw/zinc/53/27/80/658532780.db2.gz ROLJHNMRZNUSQC-NVXWUHKLSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295194 658532786 /nfs/dbraw/zinc/53/27/86/658532786.db2.gz ROLJHNMRZNUSQC-NVXWUHKLSA-N 2 2 305.422 0.407 20 30 DCEDLP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000972314345 658554286 /nfs/dbraw/zinc/55/42/86/658554286.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000972314345 658554288 /nfs/dbraw/zinc/55/42/88/658554288.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972314345 658554293 /nfs/dbraw/zinc/55/42/93/658554293.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000972314345 658554298 /nfs/dbraw/zinc/55/42/98/658554298.db2.gz CNQMLFZKVJOMGI-NVXWUHKLSA-N 2 2 323.437 0.196 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000972392013 658707052 /nfs/dbraw/zinc/70/70/52/658707052.db2.gz GKSAWRLLGMDOGA-LZLYRXPVSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000972392013 658707061 /nfs/dbraw/zinc/70/70/61/658707061.db2.gz GKSAWRLLGMDOGA-LZLYRXPVSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392013 658707068 /nfs/dbraw/zinc/70/70/68/658707068.db2.gz GKSAWRLLGMDOGA-LZLYRXPVSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392013 658707072 /nfs/dbraw/zinc/70/70/72/658707072.db2.gz GKSAWRLLGMDOGA-LZLYRXPVSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]12 ZINC001026408307 659310511 /nfs/dbraw/zinc/31/05/11/659310511.db2.gz CUMRPJYXUKNDDV-FVQBIDKESA-N 2 2 300.406 0.813 20 30 DCEDLP N#C[C@@]12C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1CS(=O)(=O)C2 ZINC000904434599 663513597 /nfs/dbraw/zinc/51/35/97/663513597.db2.gz WKPLBZSTHOHORD-OEWLLCOZSA-N 2 2 309.435 0.387 20 30 DCEDLP N#C[C@@]12C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]1CS(=O)(=O)C2 ZINC000904434599 663513599 /nfs/dbraw/zinc/51/35/99/663513599.db2.gz WKPLBZSTHOHORD-OEWLLCOZSA-N 2 2 309.435 0.387 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690967728 1157382395 /nfs/dbraw/zinc/38/23/95/1157382395.db2.gz HUEUOSFMOZVAHP-AWEZNQCLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690967728 1157382402 /nfs/dbraw/zinc/38/24/02/1157382402.db2.gz HUEUOSFMOZVAHP-AWEZNQCLSA-N 2 2 324.469 0.600 20 30 DCEDLP C#CCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000916895321 665100545 /nfs/dbraw/zinc/10/05/45/665100545.db2.gz JRHREBIJOFQDEE-OAHLLOKOSA-N 2 2 308.426 0.056 20 30 DCEDLP C#CCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000916895321 665100546 /nfs/dbraw/zinc/10/05/46/665100546.db2.gz JRHREBIJOFQDEE-OAHLLOKOSA-N 2 2 308.426 0.056 20 30 DCEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925452618 665169504 /nfs/dbraw/zinc/16/95/04/665169504.db2.gz XBVDZMYFBOXYGU-HUUCEWRRSA-N 2 2 322.453 0.837 20 30 DCEDLP C#CCC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509492 666011709 /nfs/dbraw/zinc/01/17/09/666011709.db2.gz NOBFUZBIYGAMPR-UHFFFAOYSA-N 2 2 315.421 0.125 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H](CC)OC)C1 ZINC001032837155 666288890 /nfs/dbraw/zinc/28/88/90/666288890.db2.gz RMBXCZHMNZKPSD-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H](CC)OC)C1 ZINC001032837155 666288892 /nfs/dbraw/zinc/28/88/92/666288892.db2.gz RMBXCZHMNZKPSD-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](CC)OC)C1 ZINC001032837155 666288893 /nfs/dbraw/zinc/28/88/93/666288893.db2.gz RMBXCZHMNZKPSD-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](CC)OC)C1 ZINC001032837155 666288894 /nfs/dbraw/zinc/28/88/94/666288894.db2.gz RMBXCZHMNZKPSD-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357296 666691314 /nfs/dbraw/zinc/69/13/14/666691314.db2.gz DKJYOADPHWLJNZ-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357296 666691316 /nfs/dbraw/zinc/69/13/16/666691316.db2.gz DKJYOADPHWLJNZ-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357296 666691317 /nfs/dbraw/zinc/69/13/17/666691317.db2.gz DKJYOADPHWLJNZ-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995975095 666725045 /nfs/dbraw/zinc/72/50/45/666725045.db2.gz OAYJKQLNVQSRDP-ZFWWWQNUSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996990795 667056346 /nfs/dbraw/zinc/05/63/46/667056346.db2.gz GBEUGMPTMFCPBD-ZBFHGGJFSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996990795 667056351 /nfs/dbraw/zinc/05/63/51/667056351.db2.gz GBEUGMPTMFCPBD-ZBFHGGJFSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205735 667498776 /nfs/dbraw/zinc/49/87/76/667498776.db2.gz DRGGVALEEZIEDK-JKSUJKDBSA-N 2 2 321.469 0.019 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205735 667498779 /nfs/dbraw/zinc/49/87/79/667498779.db2.gz DRGGVALEEZIEDK-JKSUJKDBSA-N 2 2 321.469 0.019 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000884225369 667504283 /nfs/dbraw/zinc/50/42/83/667504283.db2.gz PTIBUOZTWIFNRS-GSPSYOTPSA-N 2 2 309.410 0.565 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000884225369 667504289 /nfs/dbraw/zinc/50/42/89/667504289.db2.gz PTIBUOZTWIFNRS-GSPSYOTPSA-N 2 2 309.410 0.565 20 30 DCEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380133 670327771 /nfs/dbraw/zinc/32/77/71/670327771.db2.gz CGFGTVNSOUKQFF-CKDBGZEDSA-N 2 2 305.422 0.570 20 30 DCEDLP C=C(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000949380133 670327775 /nfs/dbraw/zinc/32/77/75/670327775.db2.gz CGFGTVNSOUKQFF-CKDBGZEDSA-N 2 2 305.422 0.570 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000854094465 670523709 /nfs/dbraw/zinc/52/37/09/670523709.db2.gz RCKHAKZCFNLVKD-HUUCEWRRSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000854094465 670523711 /nfs/dbraw/zinc/52/37/11/670523711.db2.gz RCKHAKZCFNLVKD-HUUCEWRRSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000854094465 670523716 /nfs/dbraw/zinc/52/37/16/670523716.db2.gz RCKHAKZCFNLVKD-HUUCEWRRSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000854094465 670523719 /nfs/dbraw/zinc/52/37/19/670523719.db2.gz RCKHAKZCFNLVKD-HUUCEWRRSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000855416628 670710738 /nfs/dbraw/zinc/71/07/38/670710738.db2.gz PQLSZWXGMHWMLZ-UHFFFAOYSA-N 3 2 308.470 0.331 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000855416628 670710744 /nfs/dbraw/zinc/71/07/44/670710744.db2.gz PQLSZWXGMHWMLZ-UHFFFAOYSA-N 3 2 308.470 0.331 20 30 DCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000834494155 671764927 /nfs/dbraw/zinc/76/49/27/671764927.db2.gz LAPWLDOMBSITOS-KHMAMNHCSA-N 2 2 308.426 0.348 20 30 DCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000834494155 671764929 /nfs/dbraw/zinc/76/49/29/671764929.db2.gz LAPWLDOMBSITOS-KHMAMNHCSA-N 2 2 308.426 0.348 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000959975832 688271795 /nfs/dbraw/zinc/27/17/95/688271795.db2.gz UICDAJZTKYTWKK-SHUKQUCYSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000959975832 688271799 /nfs/dbraw/zinc/27/17/99/688271799.db2.gz UICDAJZTKYTWKK-SHUKQUCYSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000959975832 688271804 /nfs/dbraw/zinc/27/18/04/688271804.db2.gz UICDAJZTKYTWKK-SHUKQUCYSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC000959975832 688271808 /nfs/dbraw/zinc/27/18/08/688271808.db2.gz UICDAJZTKYTWKK-SHUKQUCYSA-N 2 2 313.405 0.470 20 30 DCEDLP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039350294 694344560 /nfs/dbraw/zinc/34/45/60/694344560.db2.gz CWYDLLBBSBANPD-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039350294 694344563 /nfs/dbraw/zinc/34/45/63/694344563.db2.gz CWYDLLBBSBANPD-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350294 694344566 /nfs/dbraw/zinc/34/45/66/694344566.db2.gz CWYDLLBBSBANPD-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350294 694344568 /nfs/dbraw/zinc/34/45/68/694344568.db2.gz CWYDLLBBSBANPD-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000968952600 690433674 /nfs/dbraw/zinc/43/36/74/690433674.db2.gz OTIVRVRMHJRTMY-KGLIPLIRSA-N 2 2 318.446 0.931 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000968952600 690433676 /nfs/dbraw/zinc/43/36/76/690433676.db2.gz OTIVRVRMHJRTMY-KGLIPLIRSA-N 2 2 318.446 0.931 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOC ZINC001039648583 694399260 /nfs/dbraw/zinc/39/92/60/694399260.db2.gz VOZGNMWPOZQBRG-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOC ZINC001039648583 694399266 /nfs/dbraw/zinc/39/92/66/694399266.db2.gz VOZGNMWPOZQBRG-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCOC ZINC001039648583 694399268 /nfs/dbraw/zinc/39/92/68/694399268.db2.gz VOZGNMWPOZQBRG-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCOC ZINC001039648583 694399273 /nfs/dbraw/zinc/39/92/73/694399273.db2.gz VOZGNMWPOZQBRG-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014499878 692032180 /nfs/dbraw/zinc/03/21/80/692032180.db2.gz XTXVKAKYYDYNKS-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014499878 692032182 /nfs/dbraw/zinc/03/21/82/692032182.db2.gz XTXVKAKYYDYNKS-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706784 692407770 /nfs/dbraw/zinc/40/77/70/692407770.db2.gz XYCJFYQAYWHEOD-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706784 692407774 /nfs/dbraw/zinc/40/77/74/692407774.db2.gz XYCJFYQAYWHEOD-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001018286119 693078224 /nfs/dbraw/zinc/07/82/24/693078224.db2.gz PWEWJTQRWSHSQC-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001018286119 693078226 /nfs/dbraw/zinc/07/82/26/693078226.db2.gz PWEWJTQRWSHSQC-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018286119 693078227 /nfs/dbraw/zinc/07/82/27/693078227.db2.gz PWEWJTQRWSHSQC-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018286119 693078229 /nfs/dbraw/zinc/07/82/29/693078229.db2.gz PWEWJTQRWSHSQC-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001018285727 693078460 /nfs/dbraw/zinc/07/84/60/693078460.db2.gz OWFPYPFQMCQUKQ-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001018285727 693078465 /nfs/dbraw/zinc/07/84/65/693078465.db2.gz OWFPYPFQMCQUKQ-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018285727 693078469 /nfs/dbraw/zinc/07/84/69/693078469.db2.gz OWFPYPFQMCQUKQ-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018285727 693078473 /nfs/dbraw/zinc/07/84/73/693078473.db2.gz OWFPYPFQMCQUKQ-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(Br)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868667 693609662 /nfs/dbraw/zinc/60/96/62/693609662.db2.gz JEDQVMHPFDNTHX-NSHDSACASA-N 2 2 313.199 0.982 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@@H+](CC)[C@@H]3C2)CC1 ZINC001074414643 694891915 /nfs/dbraw/zinc/89/19/15/694891915.db2.gz CALVYWHQBFEMJT-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3OCC[N@H+](CC)[C@@H]3C2)CC1 ZINC001074414643 694891918 /nfs/dbraw/zinc/89/19/18/694891918.db2.gz CALVYWHQBFEMJT-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076179733 695003727 /nfs/dbraw/zinc/00/37/27/695003727.db2.gz XEULPLFOBMKLPR-YQQAZPJKSA-N 2 2 312.417 0.920 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076179733 695003728 /nfs/dbraw/zinc/00/37/28/695003728.db2.gz XEULPLFOBMKLPR-YQQAZPJKSA-N 2 2 312.417 0.920 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001570420868 1162510758 /nfs/dbraw/zinc/51/07/58/1162510758.db2.gz RTTIYBDUJFWXJT-ZIAGYGMSSA-N 2 2 318.421 0.653 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001571398458 1162732624 /nfs/dbraw/zinc/73/26/24/1162732624.db2.gz WJTJTVYUZWTANT-CQSZACIVSA-N 2 2 306.410 0.439 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1OCC ZINC001691335857 1157646351 /nfs/dbraw/zinc/64/63/51/1157646351.db2.gz YEODTUXMWMSPEH-GDBMZVCRSA-N 2 2 318.421 0.737 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001565846269 1159909819 /nfs/dbraw/zinc/90/98/19/1159909819.db2.gz RJVVNFJXDPJVOT-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001565846537 1159910225 /nfs/dbraw/zinc/91/02/25/1159910225.db2.gz ZANLQBUUQAJRBS-KFWWJZLASA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568150005 1160585346 /nfs/dbraw/zinc/58/53/46/1160585346.db2.gz LLVHQCHUJLWIHL-CQSZACIVSA-N 2 2 318.421 0.918 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001569765809 1161235337 /nfs/dbraw/zinc/23/53/37/1161235337.db2.gz RMLPPKGQXGCUPM-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001569765809 1161235340 /nfs/dbraw/zinc/23/53/40/1161235340.db2.gz RMLPPKGQXGCUPM-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001570243507 1161520187 /nfs/dbraw/zinc/52/01/87/1161520187.db2.gz CAWKOPBZKSZHJZ-AWEZNQCLSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001570243507 1161520198 /nfs/dbraw/zinc/52/01/98/1161520198.db2.gz CAWKOPBZKSZHJZ-AWEZNQCLSA-N 2 2 305.422 0.454 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001580044514 1165483876 /nfs/dbraw/zinc/48/38/76/1165483876.db2.gz CVDZJZAJMVGAIF-GDBMZVCRSA-N 2 2 324.388 0.837 20 30 DCEDLP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001656780144 1173882707 /nfs/dbraw/zinc/88/27/07/1173882707.db2.gz PWNDPDBGMBYVPJ-OAHLLOKOSA-N 2 2 318.421 0.271 20 30 DCEDLP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001656780144 1173882711 /nfs/dbraw/zinc/88/27/11/1173882711.db2.gz PWNDPDBGMBYVPJ-OAHLLOKOSA-N 2 2 318.421 0.271 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001662665560 1174229391 /nfs/dbraw/zinc/22/93/91/1174229391.db2.gz UVQLRVXMBJWSQB-CQSZACIVSA-N 2 2 319.409 0.014 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccnn2C)CC1 ZINC001663339319 1174287965 /nfs/dbraw/zinc/28/79/65/1174287965.db2.gz IILNGUQBYCZWDX-UHFFFAOYSA-N 2 2 317.437 0.313 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccnn2C)CC1 ZINC001663339319 1174287972 /nfs/dbraw/zinc/28/79/72/1174287972.db2.gz IILNGUQBYCZWDX-UHFFFAOYSA-N 2 2 317.437 0.313 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(OC)no1 ZINC001663989772 1174380117 /nfs/dbraw/zinc/38/01/17/1174380117.db2.gz XKDWJNRBZUJZNP-AWEZNQCLSA-N 2 2 320.393 0.329 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(OC)no1 ZINC001663989772 1174380120 /nfs/dbraw/zinc/38/01/20/1174380120.db2.gz XKDWJNRBZUJZNP-AWEZNQCLSA-N 2 2 320.393 0.329 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001664843275 1174465996 /nfs/dbraw/zinc/46/59/96/1174465996.db2.gz ZJQCZXGQNXGOLJ-AWEZNQCLSA-N 2 2 304.394 0.382 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001664843275 1174466000 /nfs/dbraw/zinc/46/60/00/1174466000.db2.gz ZJQCZXGQNXGOLJ-AWEZNQCLSA-N 2 2 304.394 0.382 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001668117234 1174759089 /nfs/dbraw/zinc/75/90/89/1174759089.db2.gz GNCYTIWVSLUKPJ-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001671948558 1175048315 /nfs/dbraw/zinc/04/83/15/1175048315.db2.gz GFWWPJLICJJUKT-ZIAGYGMSSA-N 2 2 316.405 0.412 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001675176078 1175333910 /nfs/dbraw/zinc/33/39/10/1175333910.db2.gz VGWVNTBOULMPDG-HNNXBMFYSA-N 2 2 307.438 0.749 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001675176078 1175333913 /nfs/dbraw/zinc/33/39/13/1175333913.db2.gz VGWVNTBOULMPDG-HNNXBMFYSA-N 2 2 307.438 0.749 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001676548660 1175458877 /nfs/dbraw/zinc/45/88/77/1175458877.db2.gz BGJPCPHJFYYEPJ-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001676735846 1175484009 /nfs/dbraw/zinc/48/40/09/1175484009.db2.gz OQHVGIJSQWCKOL-ZFWWWQNUSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001676735846 1175484014 /nfs/dbraw/zinc/48/40/14/1175484014.db2.gz OQHVGIJSQWCKOL-ZFWWWQNUSA-N 2 2 304.394 0.571 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001677306254 1175554310 /nfs/dbraw/zinc/55/43/10/1175554310.db2.gz FBPNABNMCZMWPS-ZDUSSCGKSA-N 2 2 321.425 0.306 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001689811797 1177071288 /nfs/dbraw/zinc/07/12/88/1177071288.db2.gz NPKKLHDABHNWNK-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001689811797 1177071293 /nfs/dbraw/zinc/07/12/93/1177071293.db2.gz NPKKLHDABHNWNK-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001690658348 1177297822 /nfs/dbraw/zinc/29/78/22/1177297822.db2.gz NWWCVGXXMBMXKG-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC001692045582 1177408793 /nfs/dbraw/zinc/40/87/93/1177408793.db2.gz SFRPBAZRMLUCAE-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@@H+](C)CCC)CO2 ZINC001700214071 1178536119 /nfs/dbraw/zinc/53/61/19/1178536119.db2.gz GKRZJQAEZOLWSY-HNNXBMFYSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CCC)CO2 ZINC001700214071 1178536124 /nfs/dbraw/zinc/53/61/24/1178536124.db2.gz GKRZJQAEZOLWSY-HNNXBMFYSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001700306513 1178573978 /nfs/dbraw/zinc/57/39/78/1178573978.db2.gz BPJITETZWAFYPE-UHFFFAOYSA-N 2 2 318.421 0.319 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC001700576113 1178664122 /nfs/dbraw/zinc/66/41/22/1178664122.db2.gz NMHANRKKNLOBOO-MRXNPFEDSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC001700576113 1178664124 /nfs/dbraw/zinc/66/41/24/1178664124.db2.gz NMHANRKKNLOBOO-MRXNPFEDSA-N 2 2 321.465 0.949 20 30 DCEDLP C=C(C)C[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001700788984 1178744886 /nfs/dbraw/zinc/74/48/86/1178744886.db2.gz FNKNYCORDVWUDS-AWEZNQCLSA-N 2 2 302.378 0.899 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700850652 1178777445 /nfs/dbraw/zinc/77/74/45/1178777445.db2.gz HGRICTAKADDYIA-TZMCWYRMSA-N 2 2 304.394 0.489 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C(C)(C)C ZINC001700997459 1178864617 /nfs/dbraw/zinc/86/46/17/1178864617.db2.gz DKSMAVAWPCECEI-OAHLLOKOSA-N 2 2 320.437 0.733 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1OCC ZINC001707152073 1180423988 /nfs/dbraw/zinc/42/39/88/1180423988.db2.gz KOSHPKXIDKPNBL-SQWLQELKSA-N 2 2 318.421 0.675 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001707152073 1180423992 /nfs/dbraw/zinc/42/39/92/1180423992.db2.gz KOSHPKXIDKPNBL-SQWLQELKSA-N 2 2 318.421 0.675 20 30 DCEDLP COCC#CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001713055941 1180652392 /nfs/dbraw/zinc/65/23/92/1180652392.db2.gz JTXJYLCGMAAWSS-UHFFFAOYSA-N 2 2 304.394 0.525 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713061221 1180655477 /nfs/dbraw/zinc/65/54/77/1180655477.db2.gz XKISZPOVPIQFRW-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713061221 1180655480 /nfs/dbraw/zinc/65/54/80/1180655480.db2.gz XKISZPOVPIQFRW-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713061221 1180655481 /nfs/dbraw/zinc/65/54/81/1180655481.db2.gz XKISZPOVPIQFRW-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713061221 1180655484 /nfs/dbraw/zinc/65/54/84/1180655484.db2.gz XKISZPOVPIQFRW-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C#CCC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001713625764 1180976591 /nfs/dbraw/zinc/97/65/91/1180976591.db2.gz JZHPNTXBUMMQJY-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001713625764 1180976598 /nfs/dbraw/zinc/97/65/98/1180976598.db2.gz JZHPNTXBUMMQJY-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001714136652 1181258056 /nfs/dbraw/zinc/25/80/56/1181258056.db2.gz LXCOFFZIXHGVIE-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP CC#CC[N@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001714560246 1181416908 /nfs/dbraw/zinc/41/69/08/1181416908.db2.gz OFAHUQHQLXYUNF-UHFFFAOYSA-N 2 2 304.394 0.955 20 30 DCEDLP CC#CC[N@@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001714560246 1181416912 /nfs/dbraw/zinc/41/69/12/1181416912.db2.gz OFAHUQHQLXYUNF-UHFFFAOYSA-N 2 2 304.394 0.955 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001715111336 1181691302 /nfs/dbraw/zinc/69/13/02/1181691302.db2.gz FIAYXDOOSPACAA-CXAGYDPISA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCC[NH+]1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001716938283 1182592144 /nfs/dbraw/zinc/59/21/44/1182592144.db2.gz HXPRWEOWDVEUPL-UHFFFAOYSA-N 2 2 300.362 0.916 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001717550920 1182893943 /nfs/dbraw/zinc/89/39/43/1182893943.db2.gz IZJLZNCMDBLRFH-ZDUSSCGKSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717550920 1182893950 /nfs/dbraw/zinc/89/39/50/1182893950.db2.gz IZJLZNCMDBLRFH-ZDUSSCGKSA-N 2 2 322.453 0.209 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001717746126 1182977249 /nfs/dbraw/zinc/97/72/49/1182977249.db2.gz LOLNLSVCCVZZDK-ZIAGYGMSSA-N 2 2 306.410 0.675 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001717746126 1182977251 /nfs/dbraw/zinc/97/72/51/1182977251.db2.gz LOLNLSVCCVZZDK-ZIAGYGMSSA-N 2 2 306.410 0.675 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C(C)C)CC1 ZINC001724037366 1184371550 /nfs/dbraw/zinc/37/15/50/1184371550.db2.gz RTFLGMWXBDOFRE-MRXNPFEDSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C(C)C)CC1 ZINC001724037366 1184371552 /nfs/dbraw/zinc/37/15/52/1184371552.db2.gz RTFLGMWXBDOFRE-MRXNPFEDSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001724547674 1184462345 /nfs/dbraw/zinc/46/23/45/1184462345.db2.gz IASYKABJLKXOLF-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001725495294 1184845233 /nfs/dbraw/zinc/84/52/33/1184845233.db2.gz MDGIFJCTHROLAF-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001732128270 1185687790 /nfs/dbraw/zinc/68/77/90/1185687790.db2.gz BZYPNFPXNFBKGC-UHFFFAOYSA-N 2 2 312.373 0.874 20 30 DCEDLP COCC#CC[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001732247945 1185747278 /nfs/dbraw/zinc/74/72/78/1185747278.db2.gz NNYNBIKXCSWKQG-MRXNPFEDSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001732442131 1185819401 /nfs/dbraw/zinc/81/94/01/1185819401.db2.gz YLDXWSBSXXRMSK-KGLIPLIRSA-N 2 2 319.409 0.020 20 30 DCEDLP COCC#CC[NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001733129290 1186154255 /nfs/dbraw/zinc/15/42/55/1186154255.db2.gz USBGSIRNWQJJQZ-HNNXBMFYSA-N 2 2 306.410 0.922 20 30 DCEDLP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001734345285 1186619131 /nfs/dbraw/zinc/61/91/31/1186619131.db2.gz ZDQKPIDGGDMZBJ-UONOGXRCSA-N 2 2 319.409 0.020 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001734522895 1186675771 /nfs/dbraw/zinc/67/57/71/1186675771.db2.gz UGXYWNCQTNSHDJ-KGLIPLIRSA-N 2 2 306.410 0.431 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752392060 1188420461 /nfs/dbraw/zinc/42/04/61/1188420461.db2.gz UQXIAUQDZGMHCO-ZDUSSCGKSA-N 2 2 322.409 0.743 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001752392060 1188420463 /nfs/dbraw/zinc/42/04/63/1188420463.db2.gz UQXIAUQDZGMHCO-ZDUSSCGKSA-N 2 2 322.409 0.743 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001752949911 1188466424 /nfs/dbraw/zinc/46/64/24/1188466424.db2.gz PYUYSRKKEPCBIK-RDJZCZTQSA-N 2 2 319.449 0.701 20 30 DCEDLP 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307.438 0.652 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781646 759304873 /nfs/dbraw/zinc/30/48/73/759304873.db2.gz AZDWPNFWFFVLBN-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781646 759304883 /nfs/dbraw/zinc/30/48/83/759304883.db2.gz AZDWPNFWFFVLBN-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085781646 759304894 /nfs/dbraw/zinc/30/48/94/759304894.db2.gz AZDWPNFWFFVLBN-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866660 759404742 /nfs/dbraw/zinc/40/47/42/759404742.db2.gz OEYDHYCZXFPENT-HNNXBMFYSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866660 759404743 /nfs/dbraw/zinc/40/47/43/759404743.db2.gz OEYDHYCZXFPENT-HNNXBMFYSA-N 2 2 303.410 0.224 20 30 DCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070337119 761171808 /nfs/dbraw/zinc/17/18/08/761171808.db2.gz NKCHCMHKVPFQFZ-KGLIPLIRSA-N 2 2 315.381 0.092 20 30 DCEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226188 761722731 /nfs/dbraw/zinc/72/27/31/761722731.db2.gz VUHADEDFDJFEPG-RHSMWYFYSA-N 2 2 318.421 0.840 20 30 DCEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226188 761722736 /nfs/dbraw/zinc/72/27/36/761722736.db2.gz VUHADEDFDJFEPG-RHSMWYFYSA-N 2 2 318.421 0.840 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071245446 761734545 /nfs/dbraw/zinc/73/45/45/761734545.db2.gz CSVBLXNQHVTGJA-GDBMZVCRSA-N 2 2 302.378 0.208 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071245446 761734549 /nfs/dbraw/zinc/73/45/49/761734549.db2.gz CSVBLXNQHVTGJA-GDBMZVCRSA-N 2 2 302.378 0.208 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C(C)C)n1 ZINC001129771157 763009116 /nfs/dbraw/zinc/00/91/16/763009116.db2.gz SEFHOCJVZVVWDF-INIZCTEOSA-N 2 2 317.437 0.767 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C(C)C)n1 ZINC001129771157 763009124 /nfs/dbraw/zinc/00/91/24/763009124.db2.gz SEFHOCJVZVVWDF-INIZCTEOSA-N 2 2 317.437 0.767 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929299 763134981 /nfs/dbraw/zinc/13/49/81/763134981.db2.gz WHBOUQUKCHZIDZ-HUUCEWRRSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929299 763134988 /nfs/dbraw/zinc/13/49/88/763134988.db2.gz WHBOUQUKCHZIDZ-HUUCEWRRSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969556 763174573 /nfs/dbraw/zinc/17/45/73/763174573.db2.gz KDEGDLQKWAYSRU-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099969556 763174578 /nfs/dbraw/zinc/17/45/78/763174578.db2.gz KDEGDLQKWAYSRU-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001100461363 763590903 /nfs/dbraw/zinc/59/09/03/763590903.db2.gz VLIPDRASETXDKG-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131397060 763800719 /nfs/dbraw/zinc/80/07/19/763800719.db2.gz QPQNEFLWCHNSDP-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131397060 763800721 /nfs/dbraw/zinc/80/07/21/763800721.db2.gz QPQNEFLWCHNSDP-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001131397060 763800731 /nfs/dbraw/zinc/80/07/31/763800731.db2.gz QPQNEFLWCHNSDP-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001131397060 763800742 /nfs/dbraw/zinc/80/07/42/763800742.db2.gz QPQNEFLWCHNSDP-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)CCC)c1nccn12 ZINC001101651000 764220335 /nfs/dbraw/zinc/22/03/35/764220335.db2.gz IDFBEFKGGLFKDJ-AWEZNQCLSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+](C)CCC)c1nccn12 ZINC001101651000 764220341 /nfs/dbraw/zinc/22/03/41/764220341.db2.gz IDFBEFKGGLFKDJ-AWEZNQCLSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)CCC)c1nccn12 ZINC001101651001 764221349 /nfs/dbraw/zinc/22/13/49/764221349.db2.gz IDFBEFKGGLFKDJ-CQSZACIVSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)CCC)c1nccn12 ZINC001101651001 764221353 /nfs/dbraw/zinc/22/13/53/764221353.db2.gz IDFBEFKGGLFKDJ-CQSZACIVSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)c1nccn12 ZINC001092412869 768300604 /nfs/dbraw/zinc/30/06/04/768300604.db2.gz MEMISTVCWDLOOO-CQSZACIVSA-N 2 2 315.421 0.737 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544899 765562644 /nfs/dbraw/zinc/56/26/44/765562644.db2.gz JXRUBDMKPUYKGE-UONOGXRCSA-N 2 2 306.410 0.865 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544899 765562652 /nfs/dbraw/zinc/56/26/52/765562652.db2.gz JXRUBDMKPUYKGE-UONOGXRCSA-N 2 2 306.410 0.865 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001135079976 765790943 /nfs/dbraw/zinc/79/09/43/765790943.db2.gz IJFNXYTUWUGGEJ-TZMCWYRMSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001135079976 765790949 /nfs/dbraw/zinc/79/09/49/765790949.db2.gz IJFNXYTUWUGGEJ-TZMCWYRMSA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737342 765949953 /nfs/dbraw/zinc/94/99/53/765949953.db2.gz GKBHVCMKUHMEFW-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540495 766302872 /nfs/dbraw/zinc/30/28/72/766302872.db2.gz PGFFUTVKIKBYAZ-KBPBESRZSA-N 2 2 315.845 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090540495 766302877 /nfs/dbraw/zinc/30/28/77/766302877.db2.gz PGFFUTVKIKBYAZ-KBPBESRZSA-N 2 2 315.845 0.632 20 30 DCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001119301267 766629738 /nfs/dbraw/zinc/62/97/38/766629738.db2.gz WNXXYGRMTNERLO-HNNXBMFYSA-N 2 2 316.409 0.184 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccon2)C1 ZINC001091075801 766891242 /nfs/dbraw/zinc/89/12/42/766891242.db2.gz ABCBZWUXPHIPAJ-BCLQGDPASA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2ccon2)C1 ZINC001091075801 766891248 /nfs/dbraw/zinc/89/12/48/766891248.db2.gz ABCBZWUXPHIPAJ-BCLQGDPASA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001098495506 767046620 /nfs/dbraw/zinc/04/66/20/767046620.db2.gz YESVHCYMPHCPFC-AWEZNQCLSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001098495506 767046629 /nfs/dbraw/zinc/04/66/29/767046629.db2.gz YESVHCYMPHCPFC-AWEZNQCLSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001098495506 767046638 /nfs/dbraw/zinc/04/66/38/767046638.db2.gz YESVHCYMPHCPFC-AWEZNQCLSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001098495506 767046646 /nfs/dbraw/zinc/04/66/46/767046646.db2.gz YESVHCYMPHCPFC-AWEZNQCLSA-N 2 2 318.421 0.507 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001093516518 768595300 /nfs/dbraw/zinc/59/53/00/768595300.db2.gz NDFTZCCOLNZJHJ-INIZCTEOSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093516518 768595304 /nfs/dbraw/zinc/59/53/04/768595304.db2.gz NDFTZCCOLNZJHJ-INIZCTEOSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371454 769075145 /nfs/dbraw/zinc/07/51/45/769075145.db2.gz ILDVUGULORUTCR-OAHLLOKOSA-N 2 2 322.409 0.362 20 30 DCEDLP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150371454 769075157 /nfs/dbraw/zinc/07/51/57/769075157.db2.gz ILDVUGULORUTCR-OAHLLOKOSA-N 2 2 322.409 0.362 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368895 769239898 /nfs/dbraw/zinc/23/98/98/769239898.db2.gz PUKNMOGCCXLOEM-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368895 769239902 /nfs/dbraw/zinc/23/99/02/769239902.db2.gz PUKNMOGCCXLOEM-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231368895 769239906 /nfs/dbraw/zinc/23/99/06/769239906.db2.gz PUKNMOGCCXLOEM-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231368895 769239910 /nfs/dbraw/zinc/23/99/10/769239910.db2.gz PUKNMOGCCXLOEM-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP CC#CC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001151374663 769326795 /nfs/dbraw/zinc/32/67/95/769326795.db2.gz LCINAVJZTOVAOF-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087986 770333379 /nfs/dbraw/zinc/33/33/79/770333379.db2.gz HWMVAQHCVMARIM-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087986 770333391 /nfs/dbraw/zinc/33/33/91/770333391.db2.gz HWMVAQHCVMARIM-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)OCC ZINC001183091653 771603028 /nfs/dbraw/zinc/60/30/28/771603028.db2.gz LSMPKXFNCLDJIQ-AWEZNQCLSA-N 2 2 320.393 0.652 20 30 DCEDLP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OCC ZINC001183091653 771603030 /nfs/dbraw/zinc/60/30/30/771603030.db2.gz LSMPKXFNCLDJIQ-AWEZNQCLSA-N 2 2 320.393 0.652 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001160209150 772009062 /nfs/dbraw/zinc/00/90/62/772009062.db2.gz AMGMAPWKFKMJGY-JSGCOSHPSA-N 2 2 319.409 0.633 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001160209150 772009067 /nfs/dbraw/zinc/00/90/67/772009067.db2.gz AMGMAPWKFKMJGY-JSGCOSHPSA-N 2 2 319.409 0.633 20 30 DCEDLP C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CCO2 ZINC001160248193 772015287 /nfs/dbraw/zinc/01/52/87/772015287.db2.gz UJICEUPHUILXNJ-WBTNSWJXSA-N 2 2 323.437 0.133 20 30 DCEDLP COc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c(F)cc1C#N ZINC001160512940 772054704 /nfs/dbraw/zinc/05/47/04/772054704.db2.gz GRDOTUDPJHQORZ-OAHLLOKOSA-N 2 2 305.357 0.936 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001187431940 772189858 /nfs/dbraw/zinc/18/98/58/772189858.db2.gz JFAIEYPLEMGJJS-XHSDSOJGSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001187431940 772189862 /nfs/dbraw/zinc/18/98/62/772189862.db2.gz JFAIEYPLEMGJJS-XHSDSOJGSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187431940 772189864 /nfs/dbraw/zinc/18/98/64/772189864.db2.gz JFAIEYPLEMGJJS-XHSDSOJGSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187431940 772189867 /nfs/dbraw/zinc/18/98/67/772189867.db2.gz JFAIEYPLEMGJJS-XHSDSOJGSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001162996765 772440734 /nfs/dbraw/zinc/44/07/34/772440734.db2.gz ZLTLUFUMMDMGTP-CABCVRRESA-N 2 2 311.426 0.148 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244393 773167476 /nfs/dbraw/zinc/16/74/76/773167476.db2.gz OFOPZRQPKYQJQP-RRFJBIMHSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244393 773167478 /nfs/dbraw/zinc/16/74/78/773167478.db2.gz OFOPZRQPKYQJQP-RRFJBIMHSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208590091 773502706 /nfs/dbraw/zinc/50/27/06/773502706.db2.gz BDPNXBXMGNLYLP-RRFJBIMHSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208590091 773502712 /nfs/dbraw/zinc/50/27/12/773502712.db2.gz BDPNXBXMGNLYLP-RRFJBIMHSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208590091 773502716 /nfs/dbraw/zinc/50/27/16/773502716.db2.gz BDPNXBXMGNLYLP-RRFJBIMHSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208590091 773502721 /nfs/dbraw/zinc/50/27/21/773502721.db2.gz BDPNXBXMGNLYLP-RRFJBIMHSA-N 2 2 322.453 0.067 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531141 773990314 /nfs/dbraw/zinc/99/03/14/773990314.db2.gz QFVHDIBWPUIZTO-ZIAGYGMSSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199383985 774100879 /nfs/dbraw/zinc/10/08/79/774100879.db2.gz BQGSRVMHUATIDI-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199383985 774100882 /nfs/dbraw/zinc/10/08/82/774100882.db2.gz BQGSRVMHUATIDI-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199383985 774100883 /nfs/dbraw/zinc/10/08/83/774100883.db2.gz BQGSRVMHUATIDI-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199383985 774100886 /nfs/dbraw/zinc/10/08/86/774100886.db2.gz BQGSRVMHUATIDI-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)Nc1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001218861362 774315975 /nfs/dbraw/zinc/31/59/75/774315975.db2.gz KWEIVXSTQULDFV-INIZCTEOSA-N 2 2 304.369 0.867 20 30 DCEDLP CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1C#N ZINC001218914459 774325880 /nfs/dbraw/zinc/32/58/80/774325880.db2.gz CGYJZNSLERKFDH-ZDUSSCGKSA-N 2 2 312.333 0.748 20 30 DCEDLP COC(=O)c1cc(C#N)cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001219132091 774382271 /nfs/dbraw/zinc/38/22/71/774382271.db2.gz 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ZINC001229682782 776213438 /nfs/dbraw/zinc/21/34/38/776213438.db2.gz IMPCVJVRNYKRJS-HZPDHXFCSA-N 2 2 318.421 0.629 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041788220 777498300 /nfs/dbraw/zinc/49/83/00/777498300.db2.gz ZFZDAVGBIUDDKG-QGZVFWFLSA-N 2 2 300.406 0.910 20 30 DCEDLP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041788220 777498305 /nfs/dbraw/zinc/49/83/05/777498305.db2.gz ZFZDAVGBIUDDKG-QGZVFWFLSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787928 945189114 /nfs/dbraw/zinc/18/91/14/945189114.db2.gz GWQPLLZQSXHZGF-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787928 945189121 /nfs/dbraw/zinc/18/91/21/945189121.db2.gz GWQPLLZQSXHZGF-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266344568 939084556 /nfs/dbraw/zinc/08/45/56/939084556.db2.gz JEEVXCLLWXRTCQ-OAHLLOKOSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001266344568 939084561 /nfs/dbraw/zinc/08/45/61/939084561.db2.gz JEEVXCLLWXRTCQ-OAHLLOKOSA-N 2 2 322.453 0.211 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267067356 939329666 /nfs/dbraw/zinc/32/96/66/939329666.db2.gz OZUKRAIDCRWZEA-AWEZNQCLSA-N 2 2 304.394 0.349 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267114955 939348997 /nfs/dbraw/zinc/34/89/97/939348997.db2.gz OBQVZZLGLHFVSI-OAHLLOKOSA-N 2 2 318.421 0.833 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267114955 939349001 /nfs/dbraw/zinc/34/90/01/939349001.db2.gz OBQVZZLGLHFVSI-OAHLLOKOSA-N 2 2 318.421 0.833 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCOCC3CC3)C2)CC1 ZINC001268482919 940180569 /nfs/dbraw/zinc/18/05/69/940180569.db2.gz ARUDOCHQSCXSJI-UHFFFAOYSA-N 2 2 319.449 0.559 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001269278041 940670727 /nfs/dbraw/zinc/67/07/27/940670727.db2.gz BHLQSOIHHUPZHY-HRCADAONSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001269278041 940670728 /nfs/dbraw/zinc/67/07/28/940670728.db2.gz BHLQSOIHHUPZHY-HRCADAONSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269278041 940670731 /nfs/dbraw/zinc/67/07/31/940670731.db2.gz BHLQSOIHHUPZHY-HRCADAONSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269278041 940670733 /nfs/dbraw/zinc/67/07/33/940670733.db2.gz BHLQSOIHHUPZHY-HRCADAONSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001271922508 941480699 /nfs/dbraw/zinc/48/06/99/941480699.db2.gz IRHMQRGTDIUYMA-OAHLLOKOSA-N 2 2 306.410 0.641 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C(C)C ZINC001271930883 941482739 /nfs/dbraw/zinc/48/27/39/941482739.db2.gz YLNUQAWSDYUGEB-INIZCTEOSA-N 2 2 320.437 0.733 20 30 DCEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271988940 941502319 /nfs/dbraw/zinc/50/23/19/941502319.db2.gz ZOHSDAQZPVJLIQ-KRWDZBQOSA-N 2 2 307.438 0.295 20 30 DCEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271988940 941502320 /nfs/dbraw/zinc/50/23/20/941502320.db2.gz ZOHSDAQZPVJLIQ-KRWDZBQOSA-N 2 2 307.438 0.295 20 30 DCEDLP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483242690 942197733 /nfs/dbraw/zinc/19/77/33/942197733.db2.gz SNMMOFNQXBLTFH-UONOGXRCSA-N 2 2 306.410 0.742 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001484676911 943508263 /nfs/dbraw/zinc/50/82/63/943508263.db2.gz GFZSFARCRTVNHM-OAHLLOKOSA-N 2 2 312.373 0.707 20 30 DCEDLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703068 943522656 /nfs/dbraw/zinc/52/26/56/943522656.db2.gz CZDFPSFJOITACI-HNNXBMFYSA-N 2 2 307.442 0.069 20 30 DCEDLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703068 943522658 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DCEDLP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC001340541961 953176860 /nfs/dbraw/zinc/17/68/60/953176860.db2.gz VXJZQPVCONZQFD-CQSZACIVSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001340541961 953176862 /nfs/dbraw/zinc/17/68/62/953176862.db2.gz VXJZQPVCONZQFD-CQSZACIVSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001282539647 953620348 /nfs/dbraw/zinc/62/03/48/953620348.db2.gz OGHCBKCTCIYDQG-UHFFFAOYSA-N 2 2 321.465 0.683 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001284770692 955257645 /nfs/dbraw/zinc/25/76/45/955257645.db2.gz HEVUKKIBKJNEKA-UHFFFAOYSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001284770692 955257652 /nfs/dbraw/zinc/25/76/52/955257652.db2.gz HEVUKKIBKJNEKA-UHFFFAOYSA-N 2 2 304.394 0.571 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001381617189 966584391 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DCEDLP C=C(C)C[NH+]1CCC(CO)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001505381363 1016198728 /nfs/dbraw/zinc/19/87/28/1016198728.db2.gz ZHTFZOZSCBKVSN-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)C[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001505381363 1016198738 /nfs/dbraw/zinc/19/87/38/1016198738.db2.gz ZHTFZOZSCBKVSN-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001403698810 1002378080 /nfs/dbraw/zinc/37/80/80/1002378080.db2.gz IRJUEYBLWDCEEJ-HNNXBMFYSA-N 2 2 313.361 0.091 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001508177102 1016683613 /nfs/dbraw/zinc/68/36/13/1016683613.db2.gz CRTONZCBKTTYRE-UHFFFAOYSA-N 2 2 306.410 0.624 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001423763090 1011508103 /nfs/dbraw/zinc/50/81/03/1011508103.db2.gz VOXJBJYHQGEKGZ-AWEZNQCLSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001423763090 1011508119 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DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC001521671008 1017400691 /nfs/dbraw/zinc/40/06/91/1017400691.db2.gz BCTMRRRHNKXVSG-KBPBESRZSA-N 2 2 311.426 0.766 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479479578 1017563987 /nfs/dbraw/zinc/56/39/87/1017563987.db2.gz WAIALFLACPJSSQ-UONOGXRCSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001506829735 1017590485 /nfs/dbraw/zinc/59/04/85/1017590485.db2.gz MZKKUYHVANOGOH-PHZGNYQRSA-N 2 2 300.406 0.981 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC001506829735 1017590496 /nfs/dbraw/zinc/59/04/96/1017590496.db2.gz MZKKUYHVANOGOH-PHZGNYQRSA-N 2 2 300.406 0.981 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001506848656 1017611541 /nfs/dbraw/zinc/61/15/41/1017611541.db2.gz DIAULNWNUTZMIN-ZFWWWQNUSA-N 2 2 304.394 0.489 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccnn1C ZINC001479776900 1017738508 /nfs/dbraw/zinc/73/85/08/1017738508.db2.gz VKTZULQDWKTFRL-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccnn1C ZINC001479776900 1017738524 /nfs/dbraw/zinc/73/85/24/1017738524.db2.gz VKTZULQDWKTFRL-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccnn1C ZINC001479776900 1017738539 /nfs/dbraw/zinc/73/85/39/1017738539.db2.gz VKTZULQDWKTFRL-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccnn1C ZINC001479776900 1017738553 /nfs/dbraw/zinc/73/85/53/1017738553.db2.gz VKTZULQDWKTFRL-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480301839 1018412183 /nfs/dbraw/zinc/41/21/83/1018412183.db2.gz ABQZBLNDNDCBJW-HNNXBMFYSA-N 2 2 318.421 0.739 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001500769295 1018647820 /nfs/dbraw/zinc/64/78/20/1018647820.db2.gz KRLHOGZUGAUWOR-INIZCTEOSA-N 2 2 304.394 0.240 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001500769295 1018647821 /nfs/dbraw/zinc/64/78/21/1018647821.db2.gz KRLHOGZUGAUWOR-INIZCTEOSA-N 2 2 304.394 0.240 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480579774 1018678500 /nfs/dbraw/zinc/67/85/00/1018678500.db2.gz ONFYZGBOMJPFOG-CMPLNLGQSA-N 2 2 307.398 0.046 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001480618128 1018711244 /nfs/dbraw/zinc/71/12/44/1018711244.db2.gz YCGLWEGTYFVLBP-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001501146250 1018920014 /nfs/dbraw/zinc/92/00/14/1018920014.db2.gz KXLDTTFPEXTTQW-LSDHHAIUSA-N 2 2 320.437 0.849 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001496921817 1019761985 /nfs/dbraw/zinc/76/19/85/1019761985.db2.gz BRUMQIXEMDNSHV-CABCVRRESA-N 2 2 304.394 0.407 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491427903 533103234 /nfs/dbraw/zinc/10/32/34/533103234.db2.gz MLOQLJAMOACKRJ-CQSZACIVSA-N 2 2 303.410 0.874 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000491427903 533103240 /nfs/dbraw/zinc/10/32/40/533103240.db2.gz MLOQLJAMOACKRJ-CQSZACIVSA-N 2 2 303.410 0.874 20 30 DCEDLP COCCNC(=[NH2+])NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000161503397 533339888 /nfs/dbraw/zinc/33/98/88/533339888.db2.gz ZDPSNQUSYLLDCM-HNNXBMFYSA-N 2 2 319.453 0.748 20 30 DCEDLP COc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000619652550 397170235 /nfs/dbraw/zinc/17/02/35/397170235.db2.gz IWYRGTOABPBACA-UHFFFAOYSA-N 2 2 302.378 0.430 20 30 DCEDLP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000594441522 397551841 /nfs/dbraw/zinc/55/18/41/397551841.db2.gz SIQWXUWILPWJRN-LSDHHAIUSA-N 2 2 308.426 0.721 20 30 DCEDLP C=C(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(CO)o1 ZINC000352798933 415324108 /nfs/dbraw/zinc/32/41/08/415324108.db2.gz KWVWBXVVUIQFCU-UHFFFAOYSA-N 2 2 321.421 0.924 20 30 DCEDLP C=C(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(CO)o1 ZINC000352798933 415324118 /nfs/dbraw/zinc/32/41/18/415324118.db2.gz KWVWBXVVUIQFCU-UHFFFAOYSA-N 2 2 321.421 0.924 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134125704 415953452 /nfs/dbraw/zinc/95/34/52/415953452.db2.gz UFDVFOHRUQSJTH-ZDUSSCGKSA-N 2 2 318.425 0.355 20 30 DCEDLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329207785 416156874 /nfs/dbraw/zinc/15/68/74/416156874.db2.gz FIZNHHJBQZDRAD-CQSZACIVSA-N 2 2 318.425 0.649 20 30 DCEDLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329207785 416156878 /nfs/dbraw/zinc/15/68/78/416156878.db2.gz FIZNHHJBQZDRAD-CQSZACIVSA-N 2 2 318.425 0.649 20 30 DCEDLP C[N@@H+]1CCO[C@@H]2CN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC000329632176 416181367 /nfs/dbraw/zinc/18/13/67/416181367.db2.gz WFFKSANWQRAZPD-RWMBFGLXSA-N 2 2 305.382 0.127 20 30 DCEDLP C[N@H+]1CCO[C@@H]2CN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC000329632176 416181369 /nfs/dbraw/zinc/18/13/69/416181369.db2.gz WFFKSANWQRAZPD-RWMBFGLXSA-N 2 2 305.382 0.127 20 30 DCEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)(COC)CC2)CC1 ZINC000341999744 416265718 /nfs/dbraw/zinc/26/57/18/416265718.db2.gz VDLKKZUCURQJBT-UHFFFAOYSA-N 2 2 322.453 0.839 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000490759868 416574259 /nfs/dbraw/zinc/57/42/59/416574259.db2.gz GXKIJMPOJNJZTJ-UHFFFAOYSA-N 2 2 310.401 0.767 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000490759868 416574260 /nfs/dbraw/zinc/57/42/60/416574260.db2.gz GXKIJMPOJNJZTJ-UHFFFAOYSA-N 2 2 310.401 0.767 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000490779667 416574828 /nfs/dbraw/zinc/57/48/28/416574828.db2.gz YRGDPTUOQMSYHG-UHFFFAOYSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[N@H+](C(C)C)CC2)CC1 ZINC000490779667 416574832 /nfs/dbraw/zinc/57/48/32/416574832.db2.gz YRGDPTUOQMSYHG-UHFFFAOYSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)C2CCCCC2)CC1 ZINC000490779112 416574910 /nfs/dbraw/zinc/57/49/10/416574910.db2.gz RFBIBMNTUOHPFX-GOSISDBHSA-N 2 2 321.465 0.685 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000490742754 416575756 /nfs/dbraw/zinc/57/57/56/416575756.db2.gz YWIDBZGLFGCDFP-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000490742754 416575761 /nfs/dbraw/zinc/57/57/61/416575761.db2.gz YWIDBZGLFGCDFP-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](COCC)C2)CC1 ZINC000490839168 416576959 /nfs/dbraw/zinc/57/69/59/416576959.db2.gz GYNAXQHYOJQRLL-INIZCTEOSA-N 2 2 307.438 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](COCC)C2)CC1 ZINC000490839168 416576965 /nfs/dbraw/zinc/57/69/65/416576965.db2.gz GYNAXQHYOJQRLL-INIZCTEOSA-N 2 2 307.438 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000490899834 416579450 /nfs/dbraw/zinc/57/94/50/416579450.db2.gz PWBFFHYWIZHXCQ-HOTGVXAUSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000490899834 416579454 /nfs/dbraw/zinc/57/94/54/416579454.db2.gz PWBFFHYWIZHXCQ-HOTGVXAUSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H](C)c2nccs2)CC1 ZINC000490949755 416581396 /nfs/dbraw/zinc/58/13/96/416581396.db2.gz MEXRMLZYWGAMTF-AWEZNQCLSA-N 2 2 320.462 0.956 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@H](C)c2nccs2)CC1 ZINC000490949755 416581399 /nfs/dbraw/zinc/58/13/99/416581399.db2.gz MEXRMLZYWGAMTF-AWEZNQCLSA-N 2 2 320.462 0.956 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000491713389 416619136 /nfs/dbraw/zinc/61/91/36/416619136.db2.gz CBDHTGWWCZDRSV-OAHLLOKOSA-N 2 2 313.401 0.226 20 30 DCEDLP C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372754 416763104 /nfs/dbraw/zinc/76/31/04/416763104.db2.gz LPFUUMHVDDZGQC-ZIAGYGMSSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372754 416763109 /nfs/dbraw/zinc/76/31/09/416763109.db2.gz LPFUUMHVDDZGQC-ZIAGYGMSSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)C[NH+]1CCN(C)CC1 ZINC000329798659 336083184 /nfs/dbraw/zinc/08/31/84/336083184.db2.gz GQNSYIVVRRHNJW-CYBMUJFWSA-N 2 2 308.430 0.307 20 30 DCEDLP CC(=O)N1CC[NH+](CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000329945272 336098138 /nfs/dbraw/zinc/09/81/38/336098138.db2.gz XEWOAEZGFPQCQQ-UHFFFAOYSA-N 2 2 310.442 0.839 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329945816 336098228 /nfs/dbraw/zinc/09/82/28/336098228.db2.gz JGASOMNULOOLSZ-ZIAGYGMSSA-N 2 2 320.441 0.195 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329945816 336098231 /nfs/dbraw/zinc/09/82/31/336098231.db2.gz JGASOMNULOOLSZ-ZIAGYGMSSA-N 2 2 320.441 0.195 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329945816 336098232 /nfs/dbraw/zinc/09/82/32/336098232.db2.gz JGASOMNULOOLSZ-ZIAGYGMSSA-N 2 2 320.441 0.195 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329945816 336098234 /nfs/dbraw/zinc/09/82/34/336098234.db2.gz JGASOMNULOOLSZ-ZIAGYGMSSA-N 2 2 320.441 0.195 20 30 DCEDLP CC(C)(CNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N)[NH+]1CCOCC1 ZINC000332547364 336174022 /nfs/dbraw/zinc/17/40/22/336174022.db2.gz CSACJWJQMXJSIB-ZIAGYGMSSA-N 2 2 308.426 0.495 20 30 DCEDLP COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583031955 337231331 /nfs/dbraw/zinc/23/13/31/337231331.db2.gz CWMJANBOKMRCEI-CYBMUJFWSA-N 2 2 318.377 0.047 20 30 DCEDLP COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583031955 337231332 /nfs/dbraw/zinc/23/13/32/337231332.db2.gz CWMJANBOKMRCEI-CYBMUJFWSA-N 2 2 318.377 0.047 20 30 DCEDLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424172196 337792444 /nfs/dbraw/zinc/79/24/44/337792444.db2.gz NADVGHSVGWFHMS-CHWSQXEVSA-N 2 2 310.398 0.103 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC[C@@]1(C)CCCO1 ZINC000179086098 526357506 /nfs/dbraw/zinc/35/75/06/526357506.db2.gz YIBXXGAKHVNXLM-MRXNPFEDSA-N 2 2 312.458 0.831 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC[C@@]1(C)CCCO1 ZINC000179086098 526357509 /nfs/dbraw/zinc/35/75/09/526357509.db2.gz YIBXXGAKHVNXLM-MRXNPFEDSA-N 2 2 312.458 0.831 20 30 DCEDLP C[NH+]=C(NCCc1csc(C)n1)NC[C@H]1C[N@H+](C)CCO1 ZINC000262539096 526364724 /nfs/dbraw/zinc/36/47/24/526364724.db2.gz ROJOCGAILWLBDF-ZDUSSCGKSA-N 2 2 311.455 0.490 20 30 DCEDLP C[NH+]=C(NCCc1csc(C)n1)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262539096 526364733 /nfs/dbraw/zinc/36/47/33/526364733.db2.gz ROJOCGAILWLBDF-ZDUSSCGKSA-N 2 2 311.455 0.490 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)C[C@H]1CCOC1 ZINC000261686353 526388537 /nfs/dbraw/zinc/38/85/37/526388537.db2.gz RGEHNCHXMZEARF-GFCCVEGCSA-N 2 2 308.430 0.530 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291186 526526757 /nfs/dbraw/zinc/52/67/57/526526757.db2.gz WAPXCTLSGAUXNP-GOSISDBHSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291186 526526762 /nfs/dbraw/zinc/52/67/62/526526762.db2.gz WAPXCTLSGAUXNP-GOSISDBHSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188291186 526526765 /nfs/dbraw/zinc/52/67/65/526526765.db2.gz WAPXCTLSGAUXNP-GOSISDBHSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188291186 526526770 /nfs/dbraw/zinc/52/67/70/526526770.db2.gz WAPXCTLSGAUXNP-GOSISDBHSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371302338 526591916 /nfs/dbraw/zinc/59/19/16/526591916.db2.gz YGBKMOQAWQFDEV-MELADBBJSA-N 2 2 324.425 0.182 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371302338 526591922 /nfs/dbraw/zinc/59/19/22/526591922.db2.gz YGBKMOQAWQFDEV-MELADBBJSA-N 2 2 324.425 0.182 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566914 526609080 /nfs/dbraw/zinc/60/90/80/526609080.db2.gz BBEODCWARAZHOJ-BFHYXJOUSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158566914 526609084 /nfs/dbraw/zinc/60/90/84/526609084.db2.gz BBEODCWARAZHOJ-BFHYXJOUSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158566914 526609091 /nfs/dbraw/zinc/60/90/91/526609091.db2.gz BBEODCWARAZHOJ-BFHYXJOUSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158566914 526609094 /nfs/dbraw/zinc/60/90/94/526609094.db2.gz BBEODCWARAZHOJ-BFHYXJOUSA-N 2 2 308.426 0.803 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647963 527934938 /nfs/dbraw/zinc/93/49/38/527934938.db2.gz NEALHZHLCKZPOC-PBHICJAKSA-N 2 2 324.469 0.818 20 30 DCEDLP 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20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717255436 1182751662 /nfs/dbraw/zinc/75/16/62/1182751662.db2.gz XYFJXMBCLQVJPV-INIZCTEOSA-N 2 2 304.394 0.309 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717353148 1182797058 /nfs/dbraw/zinc/79/70/58/1182797058.db2.gz CPIZHUJPWWYLBT-CQSZACIVSA-N 2 2 318.421 0.555 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001717606331 1182919887 /nfs/dbraw/zinc/91/98/87/1182919887.db2.gz FWSPWTYEFBZWFG-QKDCVEJESA-N 2 2 304.394 0.380 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001717606331 1182919891 /nfs/dbraw/zinc/91/98/91/1182919891.db2.gz FWSPWTYEFBZWFG-QKDCVEJESA-N 2 2 304.394 0.380 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001717618592 1182926520 /nfs/dbraw/zinc/92/65/20/1182926520.db2.gz UNQNLHJPPQBBOM-LSDHHAIUSA-N 2 2 318.421 0.582 20 30 DCEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001724669370 1184508089 /nfs/dbraw/zinc/50/80/89/1184508089.db2.gz FPCZMWQRHJIUNU-HNNXBMFYSA-N 2 2 320.437 0.822 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001725538075 1184868916 /nfs/dbraw/zinc/86/89/16/1184868916.db2.gz PDPWJDPRZNWDPJ-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CCC[NH2+][C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001725542488 1184872208 /nfs/dbraw/zinc/87/22/08/1184872208.db2.gz KYAZVTULZQCDOY-HNNXBMFYSA-N 2 2 312.373 0.576 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180025 1186171614 /nfs/dbraw/zinc/17/16/14/1186171614.db2.gz CGISAZTYZRYUDC-IRXDYDNUSA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001733180025 1186171623 /nfs/dbraw/zinc/17/16/23/1186171623.db2.gz CGISAZTYZRYUDC-IRXDYDNUSA-N 2 2 319.449 0.747 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411084 1186261787 /nfs/dbraw/zinc/26/17/87/1186261787.db2.gz FAIQYVAZGLBCLW-WMLDXEAASA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411084 1186261795 /nfs/dbraw/zinc/26/17/95/1186261795.db2.gz FAIQYVAZGLBCLW-WMLDXEAASA-N 2 2 322.453 0.354 20 30 DCEDLP COCC#CC[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001733868843 1186480920 /nfs/dbraw/zinc/48/09/20/1186480920.db2.gz NQRQEXMEZHHDLE-UHFFFAOYSA-N 2 2 318.421 0.881 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001734183863 1186572240 /nfs/dbraw/zinc/57/22/40/1186572240.db2.gz MDXHIOGQKYLKRH-DZGCQCFKSA-N 2 2 312.373 0.787 20 30 DCEDLP C#CC[N@H+](C)CCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001734278042 1186602071 /nfs/dbraw/zinc/60/20/71/1186602071.db2.gz MWPHADCXSVFQST-UHFFFAOYSA-N 2 2 314.389 0.954 20 30 DCEDLP C#CC[N@@H+](C)CCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001734278042 1186602073 /nfs/dbraw/zinc/60/20/73/1186602073.db2.gz MWPHADCXSVFQST-UHFFFAOYSA-N 2 2 314.389 0.954 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001754020579 1188713207 /nfs/dbraw/zinc/71/32/07/1188713207.db2.gz QFZMNXFAWIXUJL-QWHCGFSZSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001754317670 1188819456 /nfs/dbraw/zinc/81/94/56/1188819456.db2.gz BQHIEMFFYBCHAH-GXTWGEPZSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001754317670 1188819460 /nfs/dbraw/zinc/81/94/60/1188819460.db2.gz BQHIEMFFYBCHAH-GXTWGEPZSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001754492821 1188866692 /nfs/dbraw/zinc/86/66/92/1188866692.db2.gz LKHABYYBSBCBPH-DZGCQCFKSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001754492821 1188866695 /nfs/dbraw/zinc/86/66/95/1188866695.db2.gz LKHABYYBSBCBPH-DZGCQCFKSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001754698747 1188908443 /nfs/dbraw/zinc/90/84/43/1188908443.db2.gz RUHPODDEJRBPHN-WMLDXEAASA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001754769567 1188931023 /nfs/dbraw/zinc/93/10/23/1188931023.db2.gz DYDTXDPWDQJVFF-LSDHHAIUSA-N 2 2 305.422 0.190 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001754769567 1188931024 /nfs/dbraw/zinc/93/10/24/1188931024.db2.gz DYDTXDPWDQJVFF-LSDHHAIUSA-N 2 2 305.422 0.190 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001755014833 1188996710 /nfs/dbraw/zinc/99/67/10/1188996710.db2.gz SWPIMAFAHRLSGW-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001755605402 1189157785 /nfs/dbraw/zinc/15/77/85/1189157785.db2.gz DDXCGBDROBOGMJ-NWDGAFQWSA-N 2 2 307.398 0.079 20 30 DCEDLP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043392920 752214578 /nfs/dbraw/zinc/21/45/78/752214578.db2.gz YMAMRLSBRJAVOA-GNHJJJEISA-N 2 2 303.406 0.016 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680591 752288590 /nfs/dbraw/zinc/28/85/90/752288590.db2.gz OEPFWEHFELSBDG-XJKCOSOUSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680591 752288597 /nfs/dbraw/zinc/28/85/97/752288597.db2.gz OEPFWEHFELSBDG-XJKCOSOUSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680591 752288601 /nfs/dbraw/zinc/28/86/01/752288601.db2.gz OEPFWEHFELSBDG-XJKCOSOUSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680591 752288609 /nfs/dbraw/zinc/28/86/09/752288609.db2.gz OEPFWEHFELSBDG-XJKCOSOUSA-N 2 2 313.417 0.546 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001098685494 748672443 /nfs/dbraw/zinc/67/24/43/748672443.db2.gz JXMIMOHYULCDPF-HUUCEWRRSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821966 750095064 /nfs/dbraw/zinc/09/50/64/750095064.db2.gz VPECVHRXJOZCTQ-INWMFGNUSA-N 2 2 300.406 0.966 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821966 750095068 /nfs/dbraw/zinc/09/50/68/750095068.db2.gz VPECVHRXJOZCTQ-INWMFGNUSA-N 2 2 300.406 0.966 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583288 750415062 /nfs/dbraw/zinc/41/50/62/750415062.db2.gz ADSBTEPCUVLNOV-CFVMTHIKSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583288 750415065 /nfs/dbraw/zinc/41/50/65/750415065.db2.gz ADSBTEPCUVLNOV-CFVMTHIKSA-N 2 2 304.394 0.183 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949688 752583889 /nfs/dbraw/zinc/58/38/89/752583889.db2.gz PPTLXBFDAUFTFG-SJLPKXTDSA-N 2 2 319.449 0.559 20 30 DCEDLP 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753458131 /nfs/dbraw/zinc/45/81/31/753458131.db2.gz CJYYCAAETSKXFY-MRXNPFEDSA-N 2 2 315.421 0.194 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065705 753458136 /nfs/dbraw/zinc/45/81/36/753458136.db2.gz CJYYCAAETSKXFY-MRXNPFEDSA-N 2 2 315.421 0.194 20 30 DCEDLP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046077475 753469240 /nfs/dbraw/zinc/46/92/40/753469240.db2.gz XADVDDVDBCKNQY-CVEARBPZSA-N 2 2 319.453 0.070 20 30 DCEDLP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046077475 753469244 /nfs/dbraw/zinc/46/92/44/753469244.db2.gz XADVDDVDBCKNQY-CVEARBPZSA-N 2 2 319.453 0.070 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046089127 753476930 /nfs/dbraw/zinc/47/69/30/753476930.db2.gz ZQDQCEZMYIDWJJ-INIZCTEOSA-N 2 2 317.437 0.678 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046089127 753476961 /nfs/dbraw/zinc/47/69/61/753476961.db2.gz ZQDQCEZMYIDWJJ-INIZCTEOSA-N 2 2 317.437 0.678 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048901 753482028 /nfs/dbraw/zinc/48/20/28/753482028.db2.gz FVSXFILZTAJALL-QGZVFWFLSA-N 2 2 319.449 0.845 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048901 753482032 /nfs/dbraw/zinc/48/20/32/753482032.db2.gz FVSXFILZTAJALL-QGZVFWFLSA-N 2 2 319.449 0.845 20 30 DCEDLP CSc1nc(C)c(C#N)c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168734820 753962452 /nfs/dbraw/zinc/96/24/52/753962452.db2.gz BRXWHJXJBTWRDC-UHFFFAOYSA-N 2 2 305.411 0.395 20 30 DCEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046925422 754021865 /nfs/dbraw/zinc/02/18/65/754021865.db2.gz IXKWHYKTJAZXDR-OLZOCXBDSA-N 2 2 317.380 0.576 20 30 DCEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046925422 754021872 /nfs/dbraw/zinc/02/18/72/754021872.db2.gz IXKWHYKTJAZXDR-OLZOCXBDSA-N 2 2 317.380 0.576 20 30 DCEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046925422 754021882 /nfs/dbraw/zinc/02/18/82/754021882.db2.gz IXKWHYKTJAZXDR-OLZOCXBDSA-N 2 2 317.380 0.576 20 30 DCEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046925422 754021886 /nfs/dbraw/zinc/02/18/86/754021886.db2.gz IXKWHYKTJAZXDR-OLZOCXBDSA-N 2 2 317.380 0.576 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047427623 754271833 /nfs/dbraw/zinc/27/18/33/754271833.db2.gz ZIGARABPPIBBOW-GJZGRUSLSA-N 2 2 318.421 0.453 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047427623 754271837 /nfs/dbraw/zinc/27/18/37/754271837.db2.gz ZIGARABPPIBBOW-GJZGRUSLSA-N 2 2 318.421 0.453 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047473496 754313229 /nfs/dbraw/zinc/31/32/29/754313229.db2.gz UBKNQWSYKBXUOQ-ULQDDVLXSA-N 2 2 319.449 0.388 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001047473496 754313231 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KYWLDNRATWORMH-IXDOHACOSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3COCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001048960740 755042368 /nfs/dbraw/zinc/04/23/68/755042368.db2.gz KYWLDNRATWORMH-BBWFWOEESA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960740 755042372 /nfs/dbraw/zinc/04/23/72/755042372.db2.gz KYWLDNRATWORMH-BBWFWOEESA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COCC[NH+]3CCCC)C[C@H]2C1 ZINC001048960740 755042375 /nfs/dbraw/zinc/04/23/75/755042375.db2.gz KYWLDNRATWORMH-BBWFWOEESA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]2C1 ZINC001049152248 755151479 /nfs/dbraw/zinc/15/14/79/755151479.db2.gz AECPGWPOHMQKQT-GASCZTMLSA-N 2 2 321.384 0.904 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]2C1 ZINC001049152248 755151481 /nfs/dbraw/zinc/15/14/81/755151481.db2.gz AECPGWPOHMQKQT-GASCZTMLSA-N 2 2 321.384 0.904 20 30 DCEDLP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001049392302 755247943 /nfs/dbraw/zinc/24/79/43/755247943.db2.gz XNWLBVBMMKJFCK-ARFHVFGLSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001049392302 755247945 /nfs/dbraw/zinc/24/79/45/755247945.db2.gz XNWLBVBMMKJFCK-ARFHVFGLSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049392302 755247947 /nfs/dbraw/zinc/24/79/47/755247947.db2.gz XNWLBVBMMKJFCK-ARFHVFGLSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049392302 755247949 /nfs/dbraw/zinc/24/79/49/755247949.db2.gz XNWLBVBMMKJFCK-ARFHVFGLSA-N 2 2 307.438 0.958 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090354509 755659129 /nfs/dbraw/zinc/65/91/29/755659129.db2.gz KSXBGJYQAAWICC-HUUCEWRRSA-N 2 2 318.421 0.501 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090354509 755659132 /nfs/dbraw/zinc/65/91/32/755659132.db2.gz KSXBGJYQAAWICC-HUUCEWRRSA-N 2 2 318.421 0.501 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090359799 755687407 /nfs/dbraw/zinc/68/74/07/755687407.db2.gz FSLCBKQDVLEASY-ZBFHGGJFSA-N 2 2 312.373 0.751 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090359799 755687408 /nfs/dbraw/zinc/68/74/08/755687408.db2.gz FSLCBKQDVLEASY-ZBFHGGJFSA-N 2 2 312.373 0.751 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362027 755694236 /nfs/dbraw/zinc/69/42/36/755694236.db2.gz SRUGAFLAJYEVET-ZFWWWQNUSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362027 755694238 /nfs/dbraw/zinc/69/42/38/755694238.db2.gz SRUGAFLAJYEVET-ZFWWWQNUSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001053309825 755998136 /nfs/dbraw/zinc/99/81/36/755998136.db2.gz SMPBWTOAPXFFCB-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001053309825 755998138 /nfs/dbraw/zinc/99/81/38/755998138.db2.gz SMPBWTOAPXFFCB-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080010904 756072137 /nfs/dbraw/zinc/07/21/37/756072137.db2.gz RPAXWOMRHSYIEP-IUODEOHRSA-N 2 2 304.394 0.810 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080010904 756072143 /nfs/dbraw/zinc/07/21/43/756072143.db2.gz RPAXWOMRHSYIEP-IUODEOHRSA-N 2 2 304.394 0.810 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)O2 ZINC001053600649 756115600 /nfs/dbraw/zinc/11/56/00/756115600.db2.gz OEKDYPBXJFCWCB-JKSUJKDBSA-N 2 2 319.449 0.864 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082382011 757088071 /nfs/dbraw/zinc/08/80/71/757088071.db2.gz 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ZINC001083173175 757545521 /nfs/dbraw/zinc/54/55/21/757545521.db2.gz XPRJDEWPKIKEHP-IXDOHACOSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001051249252 758543344 /nfs/dbraw/zinc/54/33/44/758543344.db2.gz DTKZLEQXEZNIKJ-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001051249252 758543351 /nfs/dbraw/zinc/54/33/51/758543351.db2.gz DTKZLEQXEZNIKJ-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249252 758543358 /nfs/dbraw/zinc/54/33/58/758543358.db2.gz DTKZLEQXEZNIKJ-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001051249252 758543367 /nfs/dbraw/zinc/54/33/67/758543367.db2.gz DTKZLEQXEZNIKJ-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036149 759131690 /nfs/dbraw/zinc/13/16/90/759131690.db2.gz GKBRGRXGWUEYIQ-MRXNPFEDSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036149 759131695 /nfs/dbraw/zinc/13/16/95/759131695.db2.gz GKBRGRXGWUEYIQ-MRXNPFEDSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052083760 759166686 /nfs/dbraw/zinc/16/66/86/759166686.db2.gz PVMYUJGDJLLIAU-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052083760 759166692 /nfs/dbraw/zinc/16/66/92/759166692.db2.gz PVMYUJGDJLLIAU-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052083912 759166839 /nfs/dbraw/zinc/16/68/39/759166839.db2.gz QSZDWKAKLFUCQV-CVEARBPZSA-N 2 2 308.470 0.731 20 30 DCEDLP CC[C@@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)[NH+](C)C ZINC001052084766 759167739 /nfs/dbraw/zinc/16/77/39/759167739.db2.gz YJNVTDQTDDLUKB-CABCVRRESA-N 2 2 307.442 0.069 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117680 759190771 /nfs/dbraw/zinc/19/07/71/759190771.db2.gz XBIXISGCYIDQDB-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117680 759190775 /nfs/dbraw/zinc/19/07/75/759190775.db2.gz XBIXISGCYIDQDB-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001147900201 767878855 /nfs/dbraw/zinc/87/88/55/767878855.db2.gz JRDORNJVPXRLIE-UHFFFAOYSA-N 2 2 314.364 0.859 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094452 760243748 /nfs/dbraw/zinc/24/37/48/760243748.db2.gz MWOXMNOERDAACV-LSDHHAIUSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094452 760243754 /nfs/dbraw/zinc/24/37/54/760243754.db2.gz MWOXMNOERDAACV-LSDHHAIUSA-N 2 2 306.410 0.480 20 30 DCEDLP COC(OC)c1c(C#N)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072468 760571999 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0.499 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161374 761672197 /nfs/dbraw/zinc/67/21/97/761672197.db2.gz IWTHPXFNCPNBTC-PBHICJAKSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161374 761672203 /nfs/dbraw/zinc/67/22/03/761672203.db2.gz IWTHPXFNCPNBTC-PBHICJAKSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1oc(CC)nc1C ZINC001129771085 763008614 /nfs/dbraw/zinc/00/86/14/763008614.db2.gz QLOXOVNOJWSWLN-AWEZNQCLSA-N 2 2 318.421 0.849 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1oc(CC)nc1C ZINC001129771085 763008621 /nfs/dbraw/zinc/00/86/21/763008621.db2.gz QLOXOVNOJWSWLN-AWEZNQCLSA-N 2 2 318.421 0.849 20 30 DCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094220 763298984 /nfs/dbraw/zinc/29/89/84/763298984.db2.gz IUDHTGXDQATHKF-JKSUJKDBSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094220 763298991 /nfs/dbraw/zinc/29/89/91/763298991.db2.gz IUDHTGXDQATHKF-JKSUJKDBSA-N 2 2 320.437 0.870 20 30 DCEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001100461477 763591518 /nfs/dbraw/zinc/59/15/18/763591518.db2.gz ZANLQBUUQAJRBS-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP CC[NH+](CC)CC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131089700 763639459 /nfs/dbraw/zinc/63/94/59/763639459.db2.gz UVYIXZWNAHTCHQ-ZIAGYGMSSA-N 2 2 318.425 0.169 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103164 763794344 /nfs/dbraw/zinc/79/43/44/763794344.db2.gz HNIRVVSZUVCEBL-PMPSAXMXSA-N 2 2 316.405 0.563 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103164 763794347 /nfs/dbraw/zinc/79/43/47/763794347.db2.gz HNIRVVSZUVCEBL-PMPSAXMXSA-N 2 2 316.405 0.563 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222002 764319714 /nfs/dbraw/zinc/31/97/14/764319714.db2.gz RPPUAENMBPBOIC-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222002 764319718 /nfs/dbraw/zinc/31/97/18/764319718.db2.gz RPPUAENMBPBOIC-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093596743 768653890 /nfs/dbraw/zinc/65/38/90/768653890.db2.gz OBYQXUQYYYTOLD-AWEZNQCLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093596743 768653895 /nfs/dbraw/zinc/65/38/95/768653895.db2.gz OBYQXUQYYYTOLD-AWEZNQCLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001093598220 768654799 /nfs/dbraw/zinc/65/47/99/768654799.db2.gz BWVSBBKILRBJDL-UHFFFAOYSA-N 2 2 307.438 0.960 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631112 768801035 /nfs/dbraw/zinc/80/10/35/768801035.db2.gz GBQQBYBIMIZDLL-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631112 768801042 /nfs/dbraw/zinc/80/10/42/768801042.db2.gz GBQQBYBIMIZDLL-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053380 768932576 /nfs/dbraw/zinc/93/25/76/768932576.db2.gz IMJISMHLKOLUMK-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053380 768932580 /nfs/dbraw/zinc/93/25/80/768932580.db2.gz IMJISMHLKOLUMK-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426517 769093868 /nfs/dbraw/zinc/09/38/68/769093868.db2.gz WFHXDJCTVHQZAF-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426517 769093881 /nfs/dbraw/zinc/09/38/81/769093881.db2.gz WFHXDJCTVHQZAF-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426517 769093890 /nfs/dbraw/zinc/09/38/90/769093890.db2.gz WFHXDJCTVHQZAF-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426517 769093899 /nfs/dbraw/zinc/09/38/99/769093899.db2.gz WFHXDJCTVHQZAF-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203337715 769405934 /nfs/dbraw/zinc/40/59/34/769405934.db2.gz QRHURFUTPRWBJO-UHFFFAOYSA-N 2 2 318.421 0.918 20 30 DCEDLP N#Cc1ccc(F)cc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153488002 769827954 /nfs/dbraw/zinc/82/79/54/769827954.db2.gz ZETQICFIISNKSJ-UHFFFAOYSA-N 2 2 301.325 0.800 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCOC ZINC001235454376 769850100 /nfs/dbraw/zinc/85/01/00/769850100.db2.gz JAMCELQARVCRKZ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCOC ZINC001235454376 769850121 /nfs/dbraw/zinc/85/01/21/769850121.db2.gz JAMCELQARVCRKZ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCOC ZINC001235454376 769850134 /nfs/dbraw/zinc/85/01/34/769850134.db2.gz JAMCELQARVCRKZ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCOC ZINC001235454376 769850146 /nfs/dbraw/zinc/85/01/46/769850146.db2.gz JAMCELQARVCRKZ-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP N#Cc1ccc(CC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236307338 769991542 /nfs/dbraw/zinc/99/15/42/769991542.db2.gz APMPOUOGOLOPRN-UHFFFAOYSA-N 3 2 317.437 0.217 20 30 DCEDLP N#Cc1ccc(CC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236307338 769991549 /nfs/dbraw/zinc/99/15/49/769991549.db2.gz APMPOUOGOLOPRN-UHFFFAOYSA-N 3 2 317.437 0.217 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183836077 771707490 /nfs/dbraw/zinc/70/74/90/771707490.db2.gz QVZUSRQYXKEYHO-CYBMUJFWSA-N 2 2 320.393 0.190 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001185109067 771866819 /nfs/dbraw/zinc/86/68/19/771866819.db2.gz AEFAHXPGMOHZFE-NVXWUHKLSA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001185109067 771866824 /nfs/dbraw/zinc/86/68/24/771866824.db2.gz AEFAHXPGMOHZFE-NVXWUHKLSA-N 2 2 319.449 0.844 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185206383 771878893 /nfs/dbraw/zinc/87/88/93/771878893.db2.gz SJQNILBPWYJYOO-GJZGRUSLSA-N 2 2 318.421 0.676 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CO[C@@]3(C2)CCC[NH2+]CC3)CC1 ZINC001160431712 772036821 /nfs/dbraw/zinc/03/68/21/772036821.db2.gz BHZXALJIJURODD-WBVHZDCISA-N 2 2 307.438 0.865 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160566261 772066878 /nfs/dbraw/zinc/06/68/78/772066878.db2.gz OQJPNQAPULSMPN-KRWDZBQOSA-N 2 2 311.389 0.558 20 30 DCEDLP Cc1nc(C#N)c(C#N)nc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164210228 772626496 /nfs/dbraw/zinc/62/64/96/772626496.db2.gz ATAMQPAZJFYYFW-UHFFFAOYSA-N 2 2 313.409 0.966 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164335525 772647970 /nfs/dbraw/zinc/64/79/70/772647970.db2.gz XVTYECIUHLESQO-UHFFFAOYSA-N 2 2 318.421 0.868 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547206 773232695 /nfs/dbraw/zinc/23/26/95/773232695.db2.gz OPVQPWQKZVQVGJ-OAGGEKHMSA-N 2 2 319.453 0.826 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547206 773232696 /nfs/dbraw/zinc/23/26/96/773232696.db2.gz OPVQPWQKZVQVGJ-OAGGEKHMSA-N 2 2 319.453 0.826 20 30 DCEDLP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295187 773575717 /nfs/dbraw/zinc/57/57/17/773575717.db2.gz IJJYURQJBCVHAI-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295187 773575718 /nfs/dbraw/zinc/57/57/18/773575718.db2.gz IJJYURQJBCVHAI-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001196295187 773575719 /nfs/dbraw/zinc/57/57/19/773575719.db2.gz IJJYURQJBCVHAI-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001196295187 773575720 /nfs/dbraw/zinc/57/57/20/773575720.db2.gz IJJYURQJBCVHAI-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498203 773610912 /nfs/dbraw/zinc/61/09/12/773610912.db2.gz CZLYAUWYMRSEFV-RBSFLKMASA-N 2 2 322.409 0.198 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498203 773610916 /nfs/dbraw/zinc/61/09/16/773610916.db2.gz CZLYAUWYMRSEFV-RBSFLKMASA-N 2 2 322.409 0.198 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210846919 773743631 /nfs/dbraw/zinc/74/36/31/773743631.db2.gz LDKGZAPXAYNLOL-CYBMUJFWSA-N 2 2 319.409 0.143 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039912 773763048 /nfs/dbraw/zinc/76/30/48/773763048.db2.gz WZNCUAACZFXPGU-QLFBSQMISA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039912 773763050 /nfs/dbraw/zinc/76/30/50/773763050.db2.gz WZNCUAACZFXPGU-QLFBSQMISA-N 2 2 322.453 0.209 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213801946 773889469 /nfs/dbraw/zinc/88/94/69/773889469.db2.gz HTLZWTXEBCXSDO-HUUCEWRRSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213801946 773889475 /nfs/dbraw/zinc/88/94/75/773889475.db2.gz HTLZWTXEBCXSDO-HUUCEWRRSA-N 2 2 304.394 0.191 20 30 DCEDLP N#Cc1nc(N)c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)nc1C#N ZINC001218596337 774259320 /nfs/dbraw/zinc/25/93/20/774259320.db2.gz YGIWRDRUWZRGSU-JTQLQIEISA-N 2 2 322.332 0.013 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919936 774645790 /nfs/dbraw/zinc/64/57/90/774645790.db2.gz ULSMKQSEHNGNTA-CABCVRRESA-N 2 2 307.438 0.434 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919936 774645793 /nfs/dbraw/zinc/64/57/93/774645793.db2.gz ULSMKQSEHNGNTA-CABCVRRESA-N 2 2 307.438 0.434 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919936 774645796 /nfs/dbraw/zinc/64/57/96/774645796.db2.gz ULSMKQSEHNGNTA-CABCVRRESA-N 2 2 307.438 0.434 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219919936 774645799 /nfs/dbraw/zinc/64/57/99/774645799.db2.gz ULSMKQSEHNGNTA-CABCVRRESA-N 2 2 307.438 0.434 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718743 774731315 /nfs/dbraw/zinc/73/13/15/774731315.db2.gz BGYUWFRXYFTPTM-WCXIOVBPSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110718743 774731319 /nfs/dbraw/zinc/73/13/19/774731319.db2.gz BGYUWFRXYFTPTM-WCXIOVBPSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110718743 774731321 /nfs/dbraw/zinc/73/13/21/774731321.db2.gz BGYUWFRXYFTPTM-WCXIOVBPSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110718743 774731327 /nfs/dbraw/zinc/73/13/27/774731327.db2.gz BGYUWFRXYFTPTM-WCXIOVBPSA-N 2 2 319.449 0.842 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220271785 774751939 /nfs/dbraw/zinc/75/19/39/774751939.db2.gz HVJJPRAHFWTLGJ-SJORKVTESA-N 2 2 315.417 0.151 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220271785 774751941 /nfs/dbraw/zinc/75/19/41/774751941.db2.gz HVJJPRAHFWTLGJ-SJORKVTESA-N 2 2 315.417 0.151 20 30 DCEDLP N#CC1(NC(=O)[C@@H]2COC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC001220643722 774873543 /nfs/dbraw/zinc/87/35/43/774873543.db2.gz QHDZCKAMXDKEER-HNNXBMFYSA-N 2 2 314.389 0.607 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC ZINC001095556360 775228482 /nfs/dbraw/zinc/22/84/82/775228482.db2.gz NLFQZOPKUHPAAY-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC ZINC001095556360 775228492 /nfs/dbraw/zinc/22/84/92/775228492.db2.gz NLFQZOPKUHPAAY-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOC ZINC001095556360 775228501 /nfs/dbraw/zinc/22/85/01/775228501.db2.gz NLFQZOPKUHPAAY-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOC ZINC001095556360 775228507 /nfs/dbraw/zinc/22/85/07/775228507.db2.gz NLFQZOPKUHPAAY-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001272974252 945164538 /nfs/dbraw/zinc/16/45/38/945164538.db2.gz QRNVUJYAWADYQD-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266477664 939129868 /nfs/dbraw/zinc/12/98/68/939129868.db2.gz SYKYTRVPBHCDCJ-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266477664 939129872 /nfs/dbraw/zinc/12/98/72/939129872.db2.gz SYKYTRVPBHCDCJ-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266477664 939129874 /nfs/dbraw/zinc/12/98/74/939129874.db2.gz SYKYTRVPBHCDCJ-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266477664 939129876 /nfs/dbraw/zinc/12/98/76/939129876.db2.gz SYKYTRVPBHCDCJ-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266531088 939153670 /nfs/dbraw/zinc/15/36/70/939153670.db2.gz RKYIUXWVOZKQED-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266531088 939153673 /nfs/dbraw/zinc/15/36/73/939153673.db2.gz RKYIUXWVOZKQED-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001267715943 939636992 /nfs/dbraw/zinc/63/69/92/939636992.db2.gz FXXWBJWDWMNCDB-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001267715943 939636994 /nfs/dbraw/zinc/63/69/94/939636994.db2.gz FXXWBJWDWMNCDB-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CCn2cc[nH+]c2)C1=O ZINC001268698806 940334292 /nfs/dbraw/zinc/33/42/92/940334292.db2.gz YDJSFNFNOAMTPU-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC#CCOC ZINC001269189267 940642503 /nfs/dbraw/zinc/64/25/03/940642503.db2.gz RCKLMDRBRLIKFY-HZPDHXFCSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269622615 940744616 /nfs/dbraw/zinc/74/46/16/940744616.db2.gz MCDZIQUVIICTTQ-GUYCJALGSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001271072625 941253271 /nfs/dbraw/zinc/25/32/71/941253271.db2.gz GPAZRTUSJZVLER-AWEZNQCLSA-N 2 2 318.421 0.867 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001271072625 941253273 /nfs/dbraw/zinc/25/32/73/941253273.db2.gz GPAZRTUSJZVLER-AWEZNQCLSA-N 2 2 318.421 0.867 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001271202051 941320496 /nfs/dbraw/zinc/32/04/96/941320496.db2.gz ZZSSGLRNJYCOCB-GOEBONIOSA-N 2 2 306.410 0.963 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001271202051 941320500 /nfs/dbraw/zinc/32/05/00/941320500.db2.gz ZZSSGLRNJYCOCB-GOEBONIOSA-N 2 2 306.410 0.963 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001271699653 941425642 /nfs/dbraw/zinc/42/56/42/941425642.db2.gz MOTXDKWFGPAKTB-LSDHHAIUSA-N 2 2 318.421 0.297 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001271892195 941473459 /nfs/dbraw/zinc/47/34/59/941473459.db2.gz PWCLIBURIIJFJW-GASCZTMLSA-N 2 2 316.405 0.301 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001271892195 941473460 /nfs/dbraw/zinc/47/34/60/941473460.db2.gz PWCLIBURIIJFJW-GASCZTMLSA-N 2 2 316.405 0.301 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001271964830 941493581 /nfs/dbraw/zinc/49/35/81/941493581.db2.gz GGPCXFGUGSKDQE-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001271964830 941493582 /nfs/dbraw/zinc/49/35/82/941493582.db2.gz GGPCXFGUGSKDQE-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001482565143 941506965 /nfs/dbraw/zinc/50/69/65/941506965.db2.gz JBXANLYIZCPRFQ-HNNXBMFYSA-N 2 2 306.410 0.343 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001482664072 941614322 /nfs/dbraw/zinc/61/43/22/941614322.db2.gz DBOQWVABSKUHJQ-LSDHHAIUSA-N 2 2 316.405 0.525 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001482664072 941614324 /nfs/dbraw/zinc/61/43/24/941614324.db2.gz DBOQWVABSKUHJQ-LSDHHAIUSA-N 2 2 316.405 0.525 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444060 942457407 /nfs/dbraw/zinc/45/74/07/942457407.db2.gz IZTKLTBBQYUNSM-IAGOWNOFSA-N 2 2 315.417 0.199 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001077444060 942457409 /nfs/dbraw/zinc/45/74/09/942457409.db2.gz IZTKLTBBQYUNSM-IAGOWNOFSA-N 2 2 315.417 0.199 20 30 DCEDLP C=C(Cl)C[NH2+]CCN(CCO)C(=O)Cc1[nH]c[nH+]c1C ZINC001272301408 942674410 /nfs/dbraw/zinc/67/44/10/942674410.db2.gz VJCKPZLZSUYCHP-UHFFFAOYSA-N 2 2 300.790 0.424 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001272333672 942694442 /nfs/dbraw/zinc/69/44/42/942694442.db2.gz YEQHZCUABHOIMX-CABCVRRESA-N 2 2 318.421 0.785 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001490917192 943662366 /nfs/dbraw/zinc/66/23/66/943662366.db2.gz XTCVPVOONPIUIV-MGPQQGTHSA-N 2 2 319.409 0.201 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485040215 943667132 /nfs/dbraw/zinc/66/71/32/943667132.db2.gz LXCOFFZIXHGVIE-HNNXBMFYSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486010066 944495613 /nfs/dbraw/zinc/49/56/13/944495613.db2.gz GEKWVJAKXKFUML-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486010076 944495913 /nfs/dbraw/zinc/49/59/13/944495913.db2.gz GEKWVJAKXKFUML-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001486009803 944496102 /nfs/dbraw/zinc/49/61/02/944496102.db2.gz CQZPGSIONIYPSV-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001316851599 944599623 /nfs/dbraw/zinc/59/96/23/944599623.db2.gz BOQUIPODOORXSZ-OAHLLOKOSA-N 2 2 306.410 0.922 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001316851599 944599631 /nfs/dbraw/zinc/59/96/31/944599631.db2.gz BOQUIPODOORXSZ-OAHLLOKOSA-N 2 2 306.410 0.922 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001486244871 944667364 /nfs/dbraw/zinc/66/73/64/944667364.db2.gz OYESNEKIBYXLFV-CQSZACIVSA-N 2 2 306.410 0.981 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317327228 944924502 /nfs/dbraw/zinc/92/45/02/944924502.db2.gz UYLDCCNTMDHVQI-RBSFLKMASA-N 2 2 316.405 0.601 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317327228 944924513 /nfs/dbraw/zinc/92/45/13/944924513.db2.gz UYLDCCNTMDHVQI-RBSFLKMASA-N 2 2 316.405 0.601 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317482849 944991654 /nfs/dbraw/zinc/99/16/54/944991654.db2.gz WFEHIVMHAPNPLN-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317482849 944991660 /nfs/dbraw/zinc/99/16/60/944991660.db2.gz WFEHIVMHAPNPLN-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001320237762 945783359 /nfs/dbraw/zinc/78/33/59/945783359.db2.gz KUNZGLBFRSVKFG-LSDHHAIUSA-N 2 2 306.410 0.560 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccn1 ZINC001320450971 945883527 /nfs/dbraw/zinc/88/35/27/945883527.db2.gz SLOGONCGMHANLO-CABCVRRESA-N 2 2 315.421 0.559 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ncccn1 ZINC001320450971 945883542 /nfs/dbraw/zinc/88/35/42/945883542.db2.gz SLOGONCGMHANLO-CABCVRRESA-N 2 2 315.421 0.559 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278787942 946396901 /nfs/dbraw/zinc/39/69/01/946396901.db2.gz YADKQDXHHHJPHO-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278787942 946396911 /nfs/dbraw/zinc/39/69/11/946396911.db2.gz YADKQDXHHHJPHO-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278865469 946499777 /nfs/dbraw/zinc/49/97/77/946499777.db2.gz YUZODROSBGLTDR-CABCVRRESA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278865469 946499781 /nfs/dbraw/zinc/49/97/81/946499781.db2.gz YUZODROSBGLTDR-CABCVRRESA-N 2 2 318.421 0.220 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690027 947886999 /nfs/dbraw/zinc/88/69/99/947886999.db2.gz WUFBOMUBILSSJR-UHFFFAOYSA-N 2 2 321.425 0.521 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325861749 947955884 /nfs/dbraw/zinc/95/58/84/947955884.db2.gz VBEYCQMWHJIZGE-HOCLYGCPSA-N 2 2 306.410 0.963 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325861749 947955887 /nfs/dbraw/zinc/95/58/87/947955887.db2.gz VBEYCQMWHJIZGE-HOCLYGCPSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001327003163 948359916 /nfs/dbraw/zinc/35/99/16/948359916.db2.gz GWHDIJBQOCFVHH-ZBFHGGJFSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001327603075 948567335 /nfs/dbraw/zinc/56/73/35/948567335.db2.gz KPLNLPDZICDKKG-QGZVFWFLSA-N 2 2 318.421 0.319 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001327650875 948583663 /nfs/dbraw/zinc/58/36/63/948583663.db2.gz RVHRPCCYYYAMOS-UHFFFAOYSA-N 2 2 304.394 0.241 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001488636717 948992387 /nfs/dbraw/zinc/99/23/87/948992387.db2.gz AMRVLBNXOPVYAH-MRXNPFEDSA-N 2 2 321.465 0.901 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001488636717 948992396 /nfs/dbraw/zinc/99/23/96/948992396.db2.gz AMRVLBNXOPVYAH-MRXNPFEDSA-N 2 2 321.465 0.901 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265436745 949685299 /nfs/dbraw/zinc/68/52/99/949685299.db2.gz NVGRQDFQTPQLBN-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001265491774 949723774 /nfs/dbraw/zinc/72/37/74/949723774.db2.gz CASRABIYNRLLDV-ZOBUZTSGSA-N 2 2 319.449 0.890 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001265491774 949723788 /nfs/dbraw/zinc/72/37/88/949723788.db2.gz CASRABIYNRLLDV-ZOBUZTSGSA-N 2 2 319.449 0.890 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001329625948 949727077 /nfs/dbraw/zinc/72/70/77/949727077.db2.gz ZLFGRSULPKMMMR-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001329625948 949727086 /nfs/dbraw/zinc/72/70/86/949727086.db2.gz ZLFGRSULPKMMMR-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001329625948 949727104 /nfs/dbraw/zinc/72/71/04/949727104.db2.gz ZLFGRSULPKMMMR-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001281185362 951358976 /nfs/dbraw/zinc/35/89/76/951358976.db2.gz SKNAAKWNIRZOJM-KRWDZBQOSA-N 2 2 318.421 0.654 20 30 DCEDLP C#CCN1C[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001274111312 951421546 /nfs/dbraw/zinc/42/15/46/951421546.db2.gz VKJFCWXQTYKZQZ-SFHVURJKSA-N 2 2 324.384 0.771 20 30 DCEDLP C#CCN1C[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)OCC1=O ZINC001274111312 951421549 /nfs/dbraw/zinc/42/15/49/951421549.db2.gz VKJFCWXQTYKZQZ-SFHVURJKSA-N 2 2 324.384 0.771 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001281456107 951507940 /nfs/dbraw/zinc/50/79/40/951507940.db2.gz BQRPNWJUXSKDBU-HIFRSBDPSA-N 2 2 304.394 0.049 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)C1 ZINC001281588160 951552912 /nfs/dbraw/zinc/55/29/12/951552912.db2.gz HVNWNULZJPEYNL-UHFFFAOYSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274656440 951769477 /nfs/dbraw/zinc/76/94/77/951769477.db2.gz PQKYVSGMWXIWHX-FUHWJXTLSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274656440 951769485 /nfs/dbraw/zinc/76/94/85/951769485.db2.gz PQKYVSGMWXIWHX-FUHWJXTLSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001275559268 952262974 /nfs/dbraw/zinc/26/29/74/952262974.db2.gz IVWYNQRVFXDFRQ-SWLSCSKDSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001275559268 952262980 /nfs/dbraw/zinc/26/29/80/952262980.db2.gz IVWYNQRVFXDFRQ-SWLSCSKDSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001275559268 952262984 /nfs/dbraw/zinc/26/29/84/952262984.db2.gz IVWYNQRVFXDFRQ-SWLSCSKDSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001275559268 952262989 /nfs/dbraw/zinc/26/29/89/952262989.db2.gz IVWYNQRVFXDFRQ-SWLSCSKDSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC001336795967 952766028 /nfs/dbraw/zinc/76/60/28/952766028.db2.gz GVBSYFRYLKLLAT-KRWDZBQOSA-N 2 2 313.401 0.985 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(CCn3cc[nH+]c3C)n2C)CC1 ZINC001341266556 953220389 /nfs/dbraw/zinc/22/03/89/953220389.db2.gz WJVANCGBTFELAU-UHFFFAOYSA-N 2 2 313.409 0.318 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001282915535 953757755 /nfs/dbraw/zinc/75/77/55/953757755.db2.gz OYVKRTFFDHOIHA-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522682 954330104 /nfs/dbraw/zinc/33/01/04/954330104.db2.gz NIJWBZLKMVBQJD-INIZCTEOSA-N 2 2 316.405 0.437 20 30 DCEDLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522682 954330119 /nfs/dbraw/zinc/33/01/19/954330119.db2.gz NIJWBZLKMVBQJD-INIZCTEOSA-N 2 2 316.405 0.437 20 30 DCEDLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522682 954330133 /nfs/dbraw/zinc/33/01/33/954330133.db2.gz NIJWBZLKMVBQJD-INIZCTEOSA-N 2 2 316.405 0.437 20 30 DCEDLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522682 954330146 /nfs/dbraw/zinc/33/01/46/954330146.db2.gz NIJWBZLKMVBQJD-INIZCTEOSA-N 2 2 316.405 0.437 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001300686294 956466164 /nfs/dbraw/zinc/46/61/64/956466164.db2.gz ZUGXCZTZMLAGOZ-INIZCTEOSA-N 2 2 316.453 0.826 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001300686294 956466165 /nfs/dbraw/zinc/46/61/65/956466165.db2.gz ZUGXCZTZMLAGOZ-INIZCTEOSA-N 2 2 316.453 0.826 20 30 DCEDLP C#C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001356597299 956906238 /nfs/dbraw/zinc/90/62/38/956906238.db2.gz SSXBUBWIJQYTEE-IRXDYDNUSA-N 2 2 305.397 0.698 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@@H+](C)C(C)C)CC1 ZINC001359030393 957724814 /nfs/dbraw/zinc/72/48/14/957724814.db2.gz VITNSYRVPUVYNV-UHFFFAOYSA-N 2 2 304.442 0.682 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@H+](C)C(C)C)CC1 ZINC001359030393 957724818 /nfs/dbraw/zinc/72/48/18/957724818.db2.gz VITNSYRVPUVYNV-UHFFFAOYSA-N 2 2 304.442 0.682 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001381921677 966780991 /nfs/dbraw/zinc/78/09/91/966780991.db2.gz CGBZNTFXSFASOB-AAEUAGOBSA-N 2 2 312.801 0.910 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001502592558 1015988021 /nfs/dbraw/zinc/98/80/21/1015988021.db2.gz SOXDLVAOAMIKPW-GDBMZVCRSA-N 2 2 306.410 0.963 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507506019 1016431742 /nfs/dbraw/zinc/43/17/42/1016431742.db2.gz DHUPRAXAOKHFHA-QWHCGFSZSA-N 2 2 314.817 0.996 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001506489367 1017315406 /nfs/dbraw/zinc/31/54/06/1017315406.db2.gz QZNXMCIVVYDODP-UHFFFAOYSA-N 2 2 318.421 0.881 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445377632 1011705649 /nfs/dbraw/zinc/70/56/49/1011705649.db2.gz YRWGOXHVOXQSJR-MNOVXSKESA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445377632 1011705664 /nfs/dbraw/zinc/70/56/64/1011705664.db2.gz YRWGOXHVOXQSJR-MNOVXSKESA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(CCC(=O)OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001543234862 1012506550 /nfs/dbraw/zinc/50/65/50/1012506550.db2.gz JWCSRTNUFPQKAR-AWEZNQCLSA-N 2 2 323.437 0.781 20 30 DCEDLP C=C(CCC(=O)OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001543234862 1012506570 /nfs/dbraw/zinc/50/65/70/1012506570.db2.gz JWCSRTNUFPQKAR-AWEZNQCLSA-N 2 2 323.437 0.781 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479580110 1017589255 /nfs/dbraw/zinc/58/92/55/1017589255.db2.gz NMZAVIWXKLJJKC-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001506848655 1017611965 /nfs/dbraw/zinc/61/19/65/1017611965.db2.gz DIAULNWNUTZMIN-UKRRQHHQSA-N 2 2 304.394 0.489 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001506859207 1017620483 /nfs/dbraw/zinc/62/04/83/1017620483.db2.gz VRUBLJGVYHGEKI-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001479859853 1017902415 /nfs/dbraw/zinc/90/24/15/1017902415.db2.gz WAXHBWOXSYWJRP-UHFFFAOYSA-N 2 2 306.410 0.739 20 30 DCEDLP CC[N@H+](CC#CCOC)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001479859853 1017902422 /nfs/dbraw/zinc/90/24/22/1017902422.db2.gz WAXHBWOXSYWJRP-UHFFFAOYSA-N 2 2 306.410 0.739 20 30 DCEDLP COCC#CC[NH+]1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001500006227 1018168722 /nfs/dbraw/zinc/16/87/22/1018168722.db2.gz RMMONWDQHGMCTJ-UHFFFAOYSA-N 2 2 318.421 0.881 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497838080 1018460431 /nfs/dbraw/zinc/46/04/31/1018460431.db2.gz WRQOZPBTUGTZIW-LLVKDONJSA-N 2 2 315.377 0.573 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC001480478985 1018573571 /nfs/dbraw/zinc/57/35/71/1018573571.db2.gz CVMHLQICGMHQDF-HOCLYGCPSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC001480478985 1018573576 /nfs/dbraw/zinc/57/35/76/1018573576.db2.gz CVMHLQICGMHQDF-HOCLYGCPSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001498299157 1018917954 /nfs/dbraw/zinc/91/79/54/1018917954.db2.gz KAEOMRHIWWQKSJ-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001498299157 1018917957 /nfs/dbraw/zinc/91/79/57/1018917957.db2.gz KAEOMRHIWWQKSJ-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001498299157 1018917965 /nfs/dbraw/zinc/91/79/65/1018917965.db2.gz KAEOMRHIWWQKSJ-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001498299157 1018917970 /nfs/dbraw/zinc/91/79/70/1018917970.db2.gz KAEOMRHIWWQKSJ-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnns1 ZINC001496075588 1019040665 /nfs/dbraw/zinc/04/06/65/1019040665.db2.gz AKSRNJLGEZARBE-JSGCOSHPSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnns1 ZINC001496075588 1019040682 /nfs/dbraw/zinc/04/06/82/1019040682.db2.gz AKSRNJLGEZARBE-JSGCOSHPSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCO1 ZINC001502078748 1019689912 /nfs/dbraw/zinc/68/99/12/1019689912.db2.gz DKNNZOUPKXMLOV-HUUCEWRRSA-N 2 2 304.394 0.675 20 30 DCEDLP COCC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001493878979 1019788764 /nfs/dbraw/zinc/78/87/64/1019788764.db2.gz OAMLWYDJHYTSDT-UHFFFAOYSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001493878979 1019788779 /nfs/dbraw/zinc/78/87/79/1019788779.db2.gz OAMLWYDJHYTSDT-UHFFFAOYSA-N 2 2 306.410 0.750 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)c1ccccc1 ZINC001493904887 1019802241 /nfs/dbraw/zinc/80/22/41/1019802241.db2.gz JTLGEPAAMQXYKJ-IAGOWNOFSA-N 2 2 315.417 0.787 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)c1ccccc1 ZINC001493904887 1019802255 /nfs/dbraw/zinc/80/22/55/1019802255.db2.gz JTLGEPAAMQXYKJ-IAGOWNOFSA-N 2 2 315.417 0.787 20 30 DCEDLP C[NH+]=C(NCCCNc1cccc[nH+]1)NCCN1CCOCC1 ZINC000170905310 530039401 /nfs/dbraw/zinc/03/94/01/530039401.db2.gz DRCQRGUJKHDZDB-UHFFFAOYSA-N 2 2 320.441 0.381 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(c2nc(C)[nH+]cc2C)CC1 ZINC000491420536 241123550 /nfs/dbraw/zinc/12/35/50/241123550.db2.gz YJQDRFZWEPETCC-UHFFFAOYSA-N 2 2 301.394 0.355 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)[nH+]cc2C)CC1 ZINC000491420536 241123557 /nfs/dbraw/zinc/12/35/57/241123557.db2.gz YJQDRFZWEPETCC-UHFFFAOYSA-N 2 2 301.394 0.355 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000491700125 241131750 /nfs/dbraw/zinc/13/17/50/241131750.db2.gz VHECQWZJDNYVLO-DLBZAZTESA-N 2 2 318.465 0.322 20 30 DCEDLP C[NH+]1CCC([N@H+](CCO)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567895847 291388893 /nfs/dbraw/zinc/38/88/93/291388893.db2.gz ZSFLIBFLFIKOLH-UHFFFAOYSA-N 2 2 314.393 0.489 20 30 DCEDLP C[NH+]1CCC([N@@H+](CCO)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567895847 291388895 /nfs/dbraw/zinc/38/88/95/291388895.db2.gz ZSFLIBFLFIKOLH-UHFFFAOYSA-N 2 2 314.393 0.489 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264169608 134409453 /nfs/dbraw/zinc/40/94/53/134409453.db2.gz HLYYWKPCSNDFHO-CYBMUJFWSA-N 2 2 302.378 0.350 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596049020 396711875 /nfs/dbraw/zinc/71/18/75/396711875.db2.gz XRXFBKYBDZTVRM-TZMCWYRMSA-N 2 2 324.425 0.230 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000365845171 397324882 /nfs/dbraw/zinc/32/48/82/397324882.db2.gz VISZGASFCKWNQG-CYBMUJFWSA-N 2 2 301.394 0.785 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000365845171 397324888 /nfs/dbraw/zinc/32/48/88/397324888.db2.gz VISZGASFCKWNQG-CYBMUJFWSA-N 2 2 301.394 0.785 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297072103 415950396 /nfs/dbraw/zinc/95/03/96/415950396.db2.gz YVVNLXMONYDZQS-UHFFFAOYSA-N 2 2 315.421 0.868 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000297072103 415950403 /nfs/dbraw/zinc/95/04/03/415950403.db2.gz YVVNLXMONYDZQS-UHFFFAOYSA-N 2 2 315.421 0.868 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438164 416157785 /nfs/dbraw/zinc/15/77/85/416157785.db2.gz ASIXAIRLDWTZGK-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438164 416157788 /nfs/dbraw/zinc/15/77/88/416157788.db2.gz ASIXAIRLDWTZGK-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438164 416157791 /nfs/dbraw/zinc/15/77/91/416157791.db2.gz ASIXAIRLDWTZGK-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438164 416157793 /nfs/dbraw/zinc/15/77/93/416157793.db2.gz ASIXAIRLDWTZGK-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCN(CCOC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000189685673 416268700 /nfs/dbraw/zinc/26/87/00/416268700.db2.gz GBSABCAZYBLNRI-UHFFFAOYSA-N 2 2 312.458 0.856 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000491253287 416593003 /nfs/dbraw/zinc/59/30/03/416593003.db2.gz MPNLRAIWEQYOIN-BBWFWOEESA-N 2 2 319.449 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000491253287 416593006 /nfs/dbraw/zinc/59/30/06/416593006.db2.gz MPNLRAIWEQYOIN-BBWFWOEESA-N 2 2 319.449 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491338359 416596026 /nfs/dbraw/zinc/59/60/26/416596026.db2.gz HZBQTONQJVBVGC-GJZGRUSLSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000491641151 416609607 /nfs/dbraw/zinc/60/96/07/416609607.db2.gz ZKKICLQXXUJNAJ-UHFFFAOYSA-N 2 2 303.410 0.902 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000491641151 416609610 /nfs/dbraw/zinc/60/96/10/416609610.db2.gz ZKKICLQXXUJNAJ-UHFFFAOYSA-N 2 2 303.410 0.902 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000490742758 416574713 /nfs/dbraw/zinc/57/47/13/416574713.db2.gz YWIDBZGLFGCDFP-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000490742758 416574715 /nfs/dbraw/zinc/57/47/15/416574715.db2.gz YWIDBZGLFGCDFP-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000491121380 416587485 /nfs/dbraw/zinc/58/74/85/416587485.db2.gz QNXQYIGZOXPHHP-GOSISDBHSA-N 2 2 321.465 0.494 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000491121380 416587490 /nfs/dbraw/zinc/58/74/90/416587490.db2.gz QNXQYIGZOXPHHP-GOSISDBHSA-N 2 2 321.465 0.494 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424167081 416622594 /nfs/dbraw/zinc/62/25/94/416622594.db2.gz BTWRKOZHOLKUJL-OLZOCXBDSA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424167081 416622598 /nfs/dbraw/zinc/62/25/98/416622598.db2.gz BTWRKOZHOLKUJL-OLZOCXBDSA-N 2 2 310.398 0.103 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294439 416912393 /nfs/dbraw/zinc/91/23/93/416912393.db2.gz KTPDTOPIVBACCC-HRCADAONSA-N 2 2 322.453 0.932 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371294439 416912403 /nfs/dbraw/zinc/91/24/03/416912403.db2.gz KTPDTOPIVBACCC-HRCADAONSA-N 2 2 322.453 0.932 20 30 DCEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1 ZINC000328995633 279256069 /nfs/dbraw/zinc/25/60/69/279256069.db2.gz FIOTZDJQBLVUDJ-KGLIPLIRSA-N 2 2 323.441 0.730 20 30 DCEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C)CC1 ZINC000328995633 279256071 /nfs/dbraw/zinc/25/60/71/279256071.db2.gz FIOTZDJQBLVUDJ-KGLIPLIRSA-N 2 2 323.441 0.730 20 30 DCEDLP COCC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330245413 336129107 /nfs/dbraw/zinc/12/91/07/336129107.db2.gz DSGVLSMGMJUHNA-CYBMUJFWSA-N 2 2 307.398 0.376 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583760829 337330865 /nfs/dbraw/zinc/33/08/65/337330865.db2.gz SJEIYZZOIJUOEO-CJNGLKHVSA-N 2 2 318.425 0.975 20 30 DCEDLP C[NH+]=C(NCC(=O)N(C)C)N1CC[NH+](Cc2cccs2)CC1 ZINC000262575182 526345790 /nfs/dbraw/zinc/34/57/90/526345790.db2.gz OAKWFZKYYFMREH-UHFFFAOYSA-N 2 2 323.466 0.529 20 30 DCEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262451585 526372538 /nfs/dbraw/zinc/37/25/38/526372538.db2.gz JYQHVTWGIDPLLB-DZGCQCFKSA-N 2 2 320.441 0.115 20 30 DCEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262451585 526372542 /nfs/dbraw/zinc/37/25/42/526372542.db2.gz JYQHVTWGIDPLLB-DZGCQCFKSA-N 2 2 320.441 0.115 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000283859877 526419302 /nfs/dbraw/zinc/41/93/02/526419302.db2.gz KOKCIUZQZOKMAG-ZDUSSCGKSA-N 2 2 319.409 0.154 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000357580310 526582135 /nfs/dbraw/zinc/58/21/35/526582135.db2.gz JVLULASBGZCNST-UHFFFAOYSA-N 2 2 324.469 0.600 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000357580310 526582139 /nfs/dbraw/zinc/58/21/39/526582139.db2.gz JVLULASBGZCNST-UHFFFAOYSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159015779 526593751 /nfs/dbraw/zinc/59/37/51/526593751.db2.gz QKGMXHIGZVOCDL-STQMWFEESA-N 2 2 305.382 0.778 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000159015779 526593754 /nfs/dbraw/zinc/59/37/54/526593754.db2.gz QKGMXHIGZVOCDL-STQMWFEESA-N 2 2 305.382 0.778 20 30 DCEDLP C#CCOCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362175739 527062268 /nfs/dbraw/zinc/06/22/68/527062268.db2.gz DIKXYCWVXQARPZ-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCOCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362175739 527062272 /nfs/dbraw/zinc/06/22/72/527062272.db2.gz DIKXYCWVXQARPZ-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329272511 546045773 /nfs/dbraw/zinc/04/57/73/546045773.db2.gz AELFYESKMGPXLB-BFHYXJOUSA-N 2 2 310.442 0.836 20 30 DCEDLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329272511 546045777 /nfs/dbraw/zinc/04/57/77/546045777.db2.gz AELFYESKMGPXLB-BFHYXJOUSA-N 2 2 310.442 0.836 20 30 DCEDLP CC(C)[C@@H](CNC(=O)N1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000329847400 546055422 /nfs/dbraw/zinc/05/54/22/546055422.db2.gz PGWNPTVJAZKZKS-CQSZACIVSA-N 2 2 321.425 0.970 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676245298 547752583 /nfs/dbraw/zinc/75/25/83/547752583.db2.gz GXQBESAZDLRNKD-DZGCQCFKSA-N 2 2 310.442 0.655 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676245298 547752587 /nfs/dbraw/zinc/75/25/87/547752587.db2.gz GXQBESAZDLRNKD-DZGCQCFKSA-N 2 2 310.442 0.655 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978365625 660527279 /nfs/dbraw/zinc/52/72/79/660527279.db2.gz TWZPBAVKINCDQA-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978365625 660527280 /nfs/dbraw/zinc/52/72/80/660527280.db2.gz TWZPBAVKINCDQA-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CC[N@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981909581 661245164 /nfs/dbraw/zinc/24/51/64/661245164.db2.gz KGXWYILSWMJODU-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC000981909581 661245166 /nfs/dbraw/zinc/24/51/66/661245166.db2.gz KGXWYILSWMJODU-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998321615 665436713 /nfs/dbraw/zinc/43/67/13/665436713.db2.gz PMBPHWPXQDVJMG-NEPJUHHUSA-N 2 2 314.311 0.885 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000939237280 665525985 /nfs/dbraw/zinc/52/59/85/665525985.db2.gz UQHLRHFQQYASHY-HZPDHXFCSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969979491 658314316 /nfs/dbraw/zinc/31/43/16/658314316.db2.gz HBCDITNSQBNWFR-KBPBESRZSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972407287 658727320 /nfs/dbraw/zinc/72/73/20/658727320.db2.gz DQRHKUVWBONLTH-KRWDZBQOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972407287 658727325 /nfs/dbraw/zinc/72/73/25/658727325.db2.gz DQRHKUVWBONLTH-KRWDZBQOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972407287 658727327 /nfs/dbraw/zinc/72/73/27/658727327.db2.gz DQRHKUVWBONLTH-KRWDZBQOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972407287 658727331 /nfs/dbraw/zinc/72/73/31/658727331.db2.gz DQRHKUVWBONLTH-KRWDZBQOSA-N 2 2 307.438 0.960 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413070 658738589 /nfs/dbraw/zinc/73/85/89/658738589.db2.gz DJPBFEZFEJWMLU-WMZOPIPTSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413070 658738590 /nfs/dbraw/zinc/73/85/90/658738590.db2.gz DJPBFEZFEJWMLU-WMZOPIPTSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999392674 665640522 /nfs/dbraw/zinc/64/05/22/665640522.db2.gz SFRUEIDNPOILSG-HIFRSBDPSA-N 2 2 317.393 0.248 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000999392674 665640523 /nfs/dbraw/zinc/64/05/23/665640523.db2.gz SFRUEIDNPOILSG-HIFRSBDPSA-N 2 2 317.393 0.248 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C(C)(C)C1 ZINC000974685875 659619000 /nfs/dbraw/zinc/61/90/00/659619000.db2.gz LXHOZFSUXZMGMG-HOTGVXAUSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C(C)(C)C1 ZINC000974685875 659619003 /nfs/dbraw/zinc/61/90/03/659619003.db2.gz LXHOZFSUXZMGMG-HOTGVXAUSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C(C)(C)C1 ZINC000974685875 659619007 /nfs/dbraw/zinc/61/90/07/659619007.db2.gz LXHOZFSUXZMGMG-HOTGVXAUSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C(C)(C)C1 ZINC000974685875 659619009 /nfs/dbraw/zinc/61/90/09/659619009.db2.gz LXHOZFSUXZMGMG-HOTGVXAUSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974750061 659657147 /nfs/dbraw/zinc/65/71/47/659657147.db2.gz HXDGDBGIUCNYDB-ZFWWWQNUSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974750061 659657151 /nfs/dbraw/zinc/65/71/51/659657151.db2.gz HXDGDBGIUCNYDB-ZFWWWQNUSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038345301 659737238 /nfs/dbraw/zinc/73/72/38/659737238.db2.gz KTFGNFLPJXYNQT-IRXDYDNUSA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038345301 659737242 /nfs/dbraw/zinc/73/72/42/659737242.db2.gz KTFGNFLPJXYNQT-IRXDYDNUSA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038345301 659737244 /nfs/dbraw/zinc/73/72/44/659737244.db2.gz KTFGNFLPJXYNQT-IRXDYDNUSA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038345301 659737245 /nfs/dbraw/zinc/73/72/45/659737245.db2.gz KTFGNFLPJXYNQT-IRXDYDNUSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755072 661806680 /nfs/dbraw/zinc/80/66/80/661806680.db2.gz FSMZYUMLQDSDIN-WBVHZDCISA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755072 661806681 /nfs/dbraw/zinc/80/66/81/661806681.db2.gz FSMZYUMLQDSDIN-WBVHZDCISA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001028755072 661806684 /nfs/dbraw/zinc/80/66/84/661806684.db2.gz FSMZYUMLQDSDIN-WBVHZDCISA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001028755072 661806687 /nfs/dbraw/zinc/80/66/87/661806687.db2.gz FSMZYUMLQDSDIN-WBVHZDCISA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000895808974 662217249 /nfs/dbraw/zinc/21/72/49/662217249.db2.gz OYHYWBMXPPKJQA-UHFFFAOYSA-N 2 2 301.394 0.823 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920585 665906703 /nfs/dbraw/zinc/90/67/03/665906703.db2.gz MIOGJHWJXKFWOE-MRXNPFEDSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920585 665906704 /nfs/dbraw/zinc/90/67/04/665906704.db2.gz MIOGJHWJXKFWOE-MRXNPFEDSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000974752 665969175 /nfs/dbraw/zinc/96/91/75/665969175.db2.gz CNDMSLWFRKJQJD-HOTGVXAUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030463672 664553767 /nfs/dbraw/zinc/55/37/67/664553767.db2.gz SXQHYUFOIDDPKO-INIZCTEOSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030463672 664553769 /nfs/dbraw/zinc/55/37/69/664553769.db2.gz SXQHYUFOIDDPKO-INIZCTEOSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000491766643 664716186 /nfs/dbraw/zinc/71/61/86/664716186.db2.gz FWASLJJFGNXMPV-GJZGRUSLSA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000491766643 664716187 /nfs/dbraw/zinc/71/61/87/664716187.db2.gz FWASLJJFGNXMPV-GJZGRUSLSA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000491766643 664716189 /nfs/dbraw/zinc/71/61/89/664716189.db2.gz FWASLJJFGNXMPV-GJZGRUSLSA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC000992853556 664779742 /nfs/dbraw/zinc/77/97/42/664779742.db2.gz JROUYXCHPJVQPP-NUEKZKHPSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000917224931 665122301 /nfs/dbraw/zinc/12/23/01/665122301.db2.gz YTICLHFRDOASND-HNNXBMFYSA-N 2 2 321.469 0.019 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CC[C@@H](C)O3)C2)CC1 ZINC001031435049 665149807 /nfs/dbraw/zinc/14/98/07/665149807.db2.gz OJIYCRSJFGOZFW-RHSMWYFYSA-N 2 2 319.449 0.700 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000941487561 666007039 /nfs/dbraw/zinc/00/70/39/666007039.db2.gz NOBGGDYDDLNKFF-UHFFFAOYSA-N 2 2 303.410 0.206 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CCCOC1 ZINC000865799316 667348403 /nfs/dbraw/zinc/34/84/03/667348403.db2.gz NZXKHWSWFWDWFS-KRWDZBQOSA-N 2 2 322.453 0.791 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CCCOC1 ZINC000865799316 667348406 /nfs/dbraw/zinc/34/84/06/667348406.db2.gz NZXKHWSWFWDWFS-KRWDZBQOSA-N 2 2 322.453 0.791 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035676717 667397994 /nfs/dbraw/zinc/39/79/94/667397994.db2.gz DMQAQYNTRTVVLH-OAHLLOKOSA-N 2 2 307.438 0.818 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035676717 667397995 /nfs/dbraw/zinc/39/79/95/667397995.db2.gz DMQAQYNTRTVVLH-OAHLLOKOSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC[NH+](CCC)CC1 ZINC000884199267 667496269 /nfs/dbraw/zinc/49/62/69/667496269.db2.gz VAJTUKIYWHZANB-AWEZNQCLSA-N 2 2 311.426 0.671 20 30 DCEDLP C=CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000886759907 667799059 /nfs/dbraw/zinc/79/90/59/667799059.db2.gz SVIODVBYLSLIKB-HNNXBMFYSA-N 2 2 309.454 0.942 20 30 DCEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000878867465 668942956 /nfs/dbraw/zinc/94/29/56/668942956.db2.gz FYLCWUMKFITBKA-SJORKVTESA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000878867465 668942962 /nfs/dbraw/zinc/94/29/62/668942962.db2.gz FYLCWUMKFITBKA-SJORKVTESA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)CC1(O)CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000931482224 669209790 /nfs/dbraw/zinc/20/97/90/669209790.db2.gz ZCODHVBWSYMWOQ-HNNXBMFYSA-N 2 2 316.405 0.473 20 30 DCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000883131069 669653680 /nfs/dbraw/zinc/65/36/80/669653680.db2.gz FEOTUPPKZXRSKE-UHFFFAOYSA-N 2 2 301.437 0.440 20 30 DCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000883131069 669653682 /nfs/dbraw/zinc/65/36/82/669653682.db2.gz FEOTUPPKZXRSKE-UHFFFAOYSA-N 2 2 301.437 0.440 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000948825695 670187818 /nfs/dbraw/zinc/18/78/18/670187818.db2.gz NCLSGJSFKXEYCN-SJORKVTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000948825695 670187822 /nfs/dbraw/zinc/18/78/22/670187822.db2.gz NCLSGJSFKXEYCN-SJORKVTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC000949229953 670291298 /nfs/dbraw/zinc/29/12/98/670291298.db2.gz GLFGCUDJULILPZ-UHFFFAOYSA-N 2 2 316.405 0.289 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000949370546 670324527 /nfs/dbraw/zinc/32/45/27/670324527.db2.gz XQYYVJKHTYZTIT-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000949370546 670324528 /nfs/dbraw/zinc/32/45/28/670324528.db2.gz XQYYVJKHTYZTIT-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370546 670324531 /nfs/dbraw/zinc/32/45/31/670324531.db2.gz XQYYVJKHTYZTIT-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370546 670324534 /nfs/dbraw/zinc/32/45/34/670324534.db2.gz XQYYVJKHTYZTIT-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP Cc1nc(N2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000852885727 671185536 /nfs/dbraw/zinc/18/55/36/671185536.db2.gz YRUSWLMFURZYLB-UHFFFAOYSA-N 2 2 313.405 0.437 20 30 DCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000834494158 671765184 /nfs/dbraw/zinc/76/51/84/671765184.db2.gz LAPWLDOMBSITOS-ZQNQSHIBSA-N 2 2 308.426 0.348 20 30 DCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000834494158 671765185 /nfs/dbraw/zinc/76/51/85/671765185.db2.gz LAPWLDOMBSITOS-ZQNQSHIBSA-N 2 2 308.426 0.348 20 30 DCEDLP CC(C)[C@@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000834494157 671765222 /nfs/dbraw/zinc/76/52/22/671765222.db2.gz LAPWLDOMBSITOS-RYPNDVFKSA-N 2 2 308.426 0.348 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000845363750 672242753 /nfs/dbraw/zinc/24/27/53/672242753.db2.gz XDBHEAKXWREKPF-OAHLLOKOSA-N 2 2 300.406 0.921 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000961575859 688658577 /nfs/dbraw/zinc/65/85/77/688658577.db2.gz QWSOMVBQKLCAKL-VVLHAWIVSA-N 2 2 319.449 0.862 20 30 DCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000961575859 688658580 /nfs/dbraw/zinc/65/85/80/688658580.db2.gz QWSOMVBQKLCAKL-VVLHAWIVSA-N 2 2 319.449 0.862 20 30 DCEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000961575859 688658584 /nfs/dbraw/zinc/65/85/84/688658584.db2.gz QWSOMVBQKLCAKL-VVLHAWIVSA-N 2 2 319.449 0.862 20 30 DCEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000961575859 688658587 /nfs/dbraw/zinc/65/85/87/688658587.db2.gz QWSOMVBQKLCAKL-VVLHAWIVSA-N 2 2 319.449 0.862 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018277189 693077136 /nfs/dbraw/zinc/07/71/36/693077136.db2.gz NAVLYINDNFJTJE-ZACQAIPSSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018277189 693077140 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DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001571549065 1162805181 /nfs/dbraw/zinc/80/51/81/1162805181.db2.gz XBVGXMPWCNZGJA-GJZGRUSLSA-N 2 2 318.421 0.785 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001571568326 1162814579 /nfs/dbraw/zinc/81/45/79/1162814579.db2.gz HRDDAZWQKDHGOA-CYBMUJFWSA-N 2 2 319.409 0.012 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001691476351 1157788618 /nfs/dbraw/zinc/78/86/18/1157788618.db2.gz UWFIFZCPRRESIU-GASCZTMLSA-N 2 2 318.421 0.487 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001566652603 1160112464 /nfs/dbraw/zinc/11/24/64/1160112464.db2.gz UELDQJPVPLHIRI-UHFFFAOYSA-N 2 2 320.481 0.475 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001566713598 1160135697 /nfs/dbraw/zinc/13/56/97/1160135697.db2.gz ASQNPAROUNVIAI-CABCVRRESA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567028709 1160214680 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ZINC001701031696 1178885174 /nfs/dbraw/zinc/88/51/74/1178885174.db2.gz VBBYRGBANSGXBG-IYXRBSQSSA-N 2 2 319.409 0.153 20 30 DCEDLP C#CC[NH+]1CCN(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001713074770 1180667720 /nfs/dbraw/zinc/66/77/20/1180667720.db2.gz IBEAFRMSFUJOKX-HNNXBMFYSA-N 2 2 312.433 0.033 20 30 DCEDLP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001713139073 1180693659 /nfs/dbraw/zinc/69/36/59/1180693659.db2.gz GRVJZKDMIPCSTN-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001713139073 1180693661 /nfs/dbraw/zinc/69/36/61/1180693661.db2.gz GRVJZKDMIPCSTN-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001713139073 1180693662 /nfs/dbraw/zinc/69/36/62/1180693662.db2.gz GRVJZKDMIPCSTN-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001713139073 1180693665 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DCEDLP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC#CCOC ZINC001714996151 1181638246 /nfs/dbraw/zinc/63/82/46/1181638246.db2.gz WDBJIUIRNDNTTK-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001714996151 1181638250 /nfs/dbraw/zinc/63/82/50/1181638250.db2.gz WDBJIUIRNDNTTK-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001714996151 1181638253 /nfs/dbraw/zinc/63/82/53/1181638253.db2.gz WDBJIUIRNDNTTK-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001715239438 1181728921 /nfs/dbraw/zinc/72/89/21/1181728921.db2.gz OWNGMSGFKURHMQ-HUUCEWRRSA-N 2 2 318.421 0.437 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001715472172 1181821155 /nfs/dbraw/zinc/82/11/55/1181821155.db2.gz HHIQXULHCAGYHI-CVEARBPZSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccon2)CC1 ZINC001715914967 1182098109 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MDGIFJCTHROLAF-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001725698216 1184949871 /nfs/dbraw/zinc/94/98/71/1184949871.db2.gz RUOMHSQUGJQKDD-HUUCEWRRSA-N 2 2 320.437 0.821 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001733080788 1186127971 /nfs/dbraw/zinc/12/79/71/1186127971.db2.gz WZXVBLAGFULQKG-GOEBONIOSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC001733472564 1186280701 /nfs/dbraw/zinc/28/07/01/1186280701.db2.gz TVMOCQMDRSCATG-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP CC#CC[NH2+]C1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001733583334 1186342320 /nfs/dbraw/zinc/34/23/20/1186342320.db2.gz IMAISQZHVVKZGF-UHFFFAOYSA-N 2 2 317.437 0.156 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001733819714 1186461117 /nfs/dbraw/zinc/46/11/17/1186461117.db2.gz WDFAHAYEQOJYMP-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001733830025 1186466068 /nfs/dbraw/zinc/46/60/68/1186466068.db2.gz IXILXTVVHDQSAY-CHWSQXEVSA-N 2 2 304.394 0.954 20 30 DCEDLP C=CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001733830025 1186466069 /nfs/dbraw/zinc/46/60/69/1186466069.db2.gz IXILXTVVHDQSAY-CHWSQXEVSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC001733832602 1186467316 /nfs/dbraw/zinc/46/73/16/1186467316.db2.gz BMOMVZKCOWYRRP-UHFFFAOYSA-N 2 2 318.421 0.631 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001734063010 1186534989 /nfs/dbraw/zinc/53/49/89/1186534989.db2.gz XUDPMKGHUPJWKZ-OLZOCXBDSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001734063010 1186534990 /nfs/dbraw/zinc/53/49/90/1186534990.db2.gz XUDPMKGHUPJWKZ-OLZOCXBDSA-N 2 2 321.425 0.090 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001734332485 1186616131 /nfs/dbraw/zinc/61/61/31/1186616131.db2.gz ISFUXGIVOPQTLJ-LSDHHAIUSA-N 2 2 318.421 0.532 20 30 DCEDLP C=C(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734545372 1186686820 /nfs/dbraw/zinc/68/68/20/1186686820.db2.gz QXBUDJDYEXWGDL-HNNXBMFYSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734545372 1186686826 /nfs/dbraw/zinc/68/68/26/1186686826.db2.gz QXBUDJDYEXWGDL-HNNXBMFYSA-N 2 2 308.426 0.680 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001752949912 1188466510 /nfs/dbraw/zinc/46/65/10/1188466510.db2.gz PYUYSRKKEPCBIK-WBVHZDCISA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001752949912 1188466511 /nfs/dbraw/zinc/46/65/11/1188466511.db2.gz PYUYSRKKEPCBIK-WBVHZDCISA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001753112123 1188502765 /nfs/dbraw/zinc/50/27/65/1188502765.db2.gz WGHSANHGHLIMKP-CABCVRRESA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001753112123 1188502766 /nfs/dbraw/zinc/50/27/66/1188502766.db2.gz WGHSANHGHLIMKP-CABCVRRESA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001753112123 1188502768 /nfs/dbraw/zinc/50/27/68/1188502768.db2.gz WGHSANHGHLIMKP-CABCVRRESA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001753112123 1188502770 /nfs/dbraw/zinc/50/27/70/1188502770.db2.gz WGHSANHGHLIMKP-CABCVRRESA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001753448590 1188599487 /nfs/dbraw/zinc/59/94/87/1188599487.db2.gz XLUIFOQJQDTXJO-AWEZNQCLSA-N 2 2 306.410 0.698 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001753448590 1188599491 /nfs/dbraw/zinc/59/94/91/1188599491.db2.gz XLUIFOQJQDTXJO-AWEZNQCLSA-N 2 2 306.410 0.698 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1coc(C)n1 ZINC001754270950 1188804024 /nfs/dbraw/zinc/80/40/24/1188804024.db2.gz WPWWTFKPCDBVEE-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1coc(C)n1 ZINC001754270950 1188804033 /nfs/dbraw/zinc/80/40/33/1188804033.db2.gz WPWWTFKPCDBVEE-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752794 1188922158 /nfs/dbraw/zinc/92/21/58/1188922158.db2.gz QDUBPFATRJMGEW-XJKSGUPXSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752794 1188922163 /nfs/dbraw/zinc/92/21/63/1188922163.db2.gz QDUBPFATRJMGEW-XJKSGUPXSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001755005415 1188993608 /nfs/dbraw/zinc/99/36/08/1188993608.db2.gz OVZFINDLXLSXDB-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001755662748 1189178103 /nfs/dbraw/zinc/17/81/03/1189178103.db2.gz GKNUMDJMOJURRV-GOEBONIOSA-N 2 2 318.421 0.582 20 30 DCEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC001771874181 1190538524 /nfs/dbraw/zinc/53/85/24/1190538524.db2.gz ZWOFWOZAOCWWDE-GYMHETDLSA-N 2 2 318.421 0.059 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089623405 751490544 /nfs/dbraw/zinc/49/05/44/751490544.db2.gz BNOVAOBKBCEBEN-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089623405 751490549 /nfs/dbraw/zinc/49/05/49/751490549.db2.gz BNOVAOBKBCEBEN-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089623405 751490557 /nfs/dbraw/zinc/49/05/57/751490557.db2.gz BNOVAOBKBCEBEN-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089623405 751490563 /nfs/dbraw/zinc/49/05/63/751490563.db2.gz BNOVAOBKBCEBEN-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089734906 751543844 /nfs/dbraw/zinc/54/38/44/751543844.db2.gz DDRVBJQHOSOPEY-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001089734906 751543847 /nfs/dbraw/zinc/54/38/47/751543847.db2.gz DDRVBJQHOSOPEY-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001089734906 751543849 /nfs/dbraw/zinc/54/38/49/751543849.db2.gz DDRVBJQHOSOPEY-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001089734906 751543851 /nfs/dbraw/zinc/54/38/51/751543851.db2.gz DDRVBJQHOSOPEY-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107236513 751968370 /nfs/dbraw/zinc/96/83/70/751968370.db2.gz ZMHWBELRKNJABS-UHFFFAOYSA-N 2 2 318.425 0.423 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CCOC2)C1 ZINC001042960360 752007462 /nfs/dbraw/zinc/00/74/62/752007462.db2.gz NSZNHTHMESXKOA-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CCOC2)C1 ZINC001042960360 752007472 /nfs/dbraw/zinc/00/74/72/752007472.db2.gz NSZNHTHMESXKOA-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167436012 747201510 /nfs/dbraw/zinc/20/15/10/747201510.db2.gz YUVAQELBSGLOGN-ZIAGYGMSSA-N 2 2 321.425 0.621 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)[NH+](C)C)C2)nn1 ZINC001105268600 748093985 /nfs/dbraw/zinc/09/39/85/748093985.db2.gz USQFOIIZQJIXMN-OAHLLOKOSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001077465554 748713385 /nfs/dbraw/zinc/71/33/85/748713385.db2.gz DDJGZSFEXMBMGZ-IAGOWNOFSA-N 2 2 324.384 0.671 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001077465554 748713391 /nfs/dbraw/zinc/71/33/91/748713391.db2.gz DDJGZSFEXMBMGZ-IAGOWNOFSA-N 2 2 324.384 0.671 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088018721 749194805 /nfs/dbraw/zinc/19/48/05/749194805.db2.gz IOUIPLFQSLWXPM-PMPSAXMXSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088018721 749194807 /nfs/dbraw/zinc/19/48/07/749194807.db2.gz IOUIPLFQSLWXPM-PMPSAXMXSA-N 2 2 312.417 0.859 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001112868253 761985140 /nfs/dbraw/zinc/98/51/40/761985140.db2.gz KHTIUPKWDBJRPC-CVEARBPZSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001112868253 761985144 /nfs/dbraw/zinc/98/51/44/761985144.db2.gz KHTIUPKWDBJRPC-CVEARBPZSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259109 750300604 /nfs/dbraw/zinc/30/06/04/750300604.db2.gz IFZRXUROLVHEDI-MGPQQGTHSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259109 750300614 /nfs/dbraw/zinc/30/06/14/750300614.db2.gz IFZRXUROLVHEDI-MGPQQGTHSA-N 2 2 304.394 0.183 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106065272 750703105 /nfs/dbraw/zinc/70/31/05/750703105.db2.gz UTJYXUOHQCGUMF-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP C#CC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001045482595 753212120 /nfs/dbraw/zinc/21/21/20/753212120.db2.gz OMVYKABCMZVHQL-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP CC(C)[C@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)[NH+](C)C ZINC001046062581 753456363 /nfs/dbraw/zinc/45/63/63/753456363.db2.gz WAHULQGHUXGZBO-JKSUJKDBSA-N 2 2 321.469 0.315 20 30 DCEDLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064820 753458580 /nfs/dbraw/zinc/45/85/80/753458580.db2.gz VOZDXKZWHVTJSO-CVEARBPZSA-N 2 2 319.453 0.070 20 30 DCEDLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064820 753458582 /nfs/dbraw/zinc/45/85/82/753458582.db2.gz VOZDXKZWHVTJSO-CVEARBPZSA-N 2 2 319.453 0.070 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074315 753985859 /nfs/dbraw/zinc/98/58/59/753985859.db2.gz GROBQRUHELIOGS-MRXNPFEDSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108074315 753985863 /nfs/dbraw/zinc/98/58/63/753985863.db2.gz GROBQRUHELIOGS-MRXNPFEDSA-N 2 2 306.410 0.975 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC(C)C)C[C@@H]1O ZINC001047415232 754261591 /nfs/dbraw/zinc/26/15/91/754261591.db2.gz OLRDBDZJXAXQQW-JYJNAYRXSA-N 2 2 307.438 0.244 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC(C)C)C[C@@H]1O ZINC001047415232 754261594 /nfs/dbraw/zinc/26/15/94/754261594.db2.gz OLRDBDZJXAXQQW-JYJNAYRXSA-N 2 2 307.438 0.244 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC(C)C)C[C@@H]1O ZINC001047415232 754261599 /nfs/dbraw/zinc/26/15/99/754261599.db2.gz OLRDBDZJXAXQQW-JYJNAYRXSA-N 2 2 307.438 0.244 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC(C)C)C[C@@H]1O ZINC001047415232 754261601 /nfs/dbraw/zinc/26/16/01/754261601.db2.gz OLRDBDZJXAXQQW-JYJNAYRXSA-N 2 2 307.438 0.244 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501879 754338957 /nfs/dbraw/zinc/33/89/57/754338957.db2.gz HNZCIVFBMJQKNG-BPUTZDHNSA-N 2 2 318.421 0.443 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501879 754338963 /nfs/dbraw/zinc/33/89/63/754338963.db2.gz HNZCIVFBMJQKNG-BPUTZDHNSA-N 2 2 318.421 0.443 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001090279467 754931212 /nfs/dbraw/zinc/93/12/12/754931212.db2.gz LRNJEVXPMSYHRK-CABCVRRESA-N 2 2 318.421 0.499 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001090279467 754931214 /nfs/dbraw/zinc/93/12/14/754931214.db2.gz LRNJEVXPMSYHRK-CABCVRRESA-N 2 2 318.421 0.499 20 30 DCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097712858 755715557 /nfs/dbraw/zinc/71/55/57/755715557.db2.gz NIKSQIIMMGHMIT-LVQVYYBASA-N 2 2 305.422 0.450 20 30 DCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097712858 755715562 /nfs/dbraw/zinc/71/55/62/755715562.db2.gz NIKSQIIMMGHMIT-LVQVYYBASA-N 2 2 305.422 0.450 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097712858 755715565 /nfs/dbraw/zinc/71/55/65/755715565.db2.gz NIKSQIIMMGHMIT-LVQVYYBASA-N 2 2 305.422 0.450 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097712858 755715568 /nfs/dbraw/zinc/71/55/68/755715568.db2.gz NIKSQIIMMGHMIT-LVQVYYBASA-N 2 2 305.422 0.450 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)O2 ZINC001053584965 756104791 /nfs/dbraw/zinc/10/47/91/756104791.db2.gz AOGJQNSNJLMYET-HUUCEWRRSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)O2 ZINC001053584965 756104796 /nfs/dbraw/zinc/10/47/96/756104796.db2.gz AOGJQNSNJLMYET-HUUCEWRRSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080099311 756104812 /nfs/dbraw/zinc/10/48/12/756104812.db2.gz DIZGGWLTKOYDGD-CZUORRHYSA-N 2 2 309.373 0.951 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080099311 756104817 /nfs/dbraw/zinc/10/48/17/756104817.db2.gz DIZGGWLTKOYDGD-CZUORRHYSA-N 2 2 309.373 0.951 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053802978 756213559 /nfs/dbraw/zinc/21/35/59/756213559.db2.gz HXQNBJIVCOENKK-JKSUJKDBSA-N 2 2 317.433 0.311 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063772 756915478 /nfs/dbraw/zinc/91/54/78/756915478.db2.gz GGTJNDHONCIZCH-KFWWJZLASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063772 756915480 /nfs/dbraw/zinc/91/54/80/756915480.db2.gz GGTJNDHONCIZCH-KFWWJZLASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063772 756915482 /nfs/dbraw/zinc/91/54/82/756915482.db2.gz GGTJNDHONCIZCH-KFWWJZLASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063772 756915483 /nfs/dbraw/zinc/91/54/83/756915483.db2.gz GGTJNDHONCIZCH-KFWWJZLASA-N 2 2 311.426 0.097 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377278 757083818 /nfs/dbraw/zinc/08/38/18/757083818.db2.gz KCJDJHQZUNYELW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](OC)C1 ZINC001082377278 757083826 /nfs/dbraw/zinc/08/38/26/757083826.db2.gz KCJDJHQZUNYELW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377278 757083833 /nfs/dbraw/zinc/08/38/33/757083833.db2.gz KCJDJHQZUNYELW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](OC)C1 ZINC001082377278 757083844 /nfs/dbraw/zinc/08/38/44/757083844.db2.gz KCJDJHQZUNYELW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001082664132 757219018 /nfs/dbraw/zinc/21/90/18/757219018.db2.gz XDWIWFWBJIWBJV-BZUAXINKSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001082664132 757219024 /nfs/dbraw/zinc/21/90/24/757219024.db2.gz XDWIWFWBJIWBJV-BZUAXINKSA-N 2 2 307.438 0.557 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132855 763338100 /nfs/dbraw/zinc/33/81/00/763338100.db2.gz ZYWZWVPPBPREIR-CHWSQXEVSA-N 2 2 303.834 0.631 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132855 763338112 /nfs/dbraw/zinc/33/81/12/763338112.db2.gz ZYWZWVPPBPREIR-CHWSQXEVSA-N 2 2 303.834 0.631 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995976 759098178 /nfs/dbraw/zinc/09/81/78/759098178.db2.gz IBISDZBXAMNPPZ-JKSUJKDBSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995976 759098185 /nfs/dbraw/zinc/09/81/85/759098185.db2.gz IBISDZBXAMNPPZ-JKSUJKDBSA-N 2 2 306.454 0.485 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098388362 759113435 /nfs/dbraw/zinc/11/34/35/759113435.db2.gz LHCSMPJCOYYWMT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098388362 759113439 /nfs/dbraw/zinc/11/34/39/759113439.db2.gz LHCSMPJCOYYWMT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098388362 759113444 /nfs/dbraw/zinc/11/34/44/759113444.db2.gz LHCSMPJCOYYWMT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098388362 759113447 /nfs/dbraw/zinc/11/34/47/759113447.db2.gz LHCSMPJCOYYWMT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CCC1 ZINC001052036302 759131657 /nfs/dbraw/zinc/13/16/57/759131657.db2.gz KRWHCCBCRPKUHA-HNNXBMFYSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052512121 759461615 /nfs/dbraw/zinc/46/16/15/759461615.db2.gz HBKFVZRXDSRFFT-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052512121 759461620 /nfs/dbraw/zinc/46/16/20/759461620.db2.gz HBKFVZRXDSRFFT-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871942 767867775 /nfs/dbraw/zinc/86/77/75/767867775.db2.gz SUBJRPICURCSRC-UHFFFAOYSA-N 2 2 321.425 0.093 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001086109747 759722390 /nfs/dbraw/zinc/72/23/90/759722390.db2.gz CDIUYNWYOUJPOT-GUTXKFCHSA-N 2 2 317.393 0.152 20 30 DCEDLP 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20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159546957 771926952 /nfs/dbraw/zinc/92/69/52/771926952.db2.gz FXVDGVKATXZXRH-GFCCVEGCSA-N 2 2 307.398 0.129 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159546957 771926956 /nfs/dbraw/zinc/92/69/56/771926956.db2.gz FXVDGVKATXZXRH-GFCCVEGCSA-N 2 2 307.398 0.129 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1csnn1 ZINC001160209462 772009165 /nfs/dbraw/zinc/00/91/65/772009165.db2.gz LJEIEKXGXWNMSW-OCCSQVGLSA-N 2 2 321.450 0.793 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1csnn1 ZINC001160209462 772009168 /nfs/dbraw/zinc/00/91/68/772009168.db2.gz LJEIEKXGXWNMSW-OCCSQVGLSA-N 2 2 321.450 0.793 20 30 DCEDLP COc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c(F)cc1C#N ZINC001160512939 772054635 /nfs/dbraw/zinc/05/46/35/772054635.db2.gz GRDOTUDPJHQORZ-HNNXBMFYSA-N 2 2 305.357 0.936 20 30 DCEDLP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161537595 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C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149586 773339805 /nfs/dbraw/zinc/33/98/05/773339805.db2.gz UVBZFQOTRVJJBA-RRFJBIMHSA-N 2 2 306.410 0.789 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149586 773339815 /nfs/dbraw/zinc/33/98/15/773339815.db2.gz UVBZFQOTRVJJBA-RRFJBIMHSA-N 2 2 306.410 0.789 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049852 773671141 /nfs/dbraw/zinc/67/11/41/773671141.db2.gz AIKNMMLAFDCAGW-GJZGRUSLSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049852 773671145 /nfs/dbraw/zinc/67/11/45/773671145.db2.gz AIKNMMLAFDCAGW-GJZGRUSLSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2nc(C)no2)CC1 ZINC001152330820 773730763 /nfs/dbraw/zinc/73/07/63/773730763.db2.gz WIEKFMKKTHXGGD-GFCCVEGCSA-N 2 2 319.409 0.490 20 30 DCEDLP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219107625 774373443 /nfs/dbraw/zinc/37/34/43/774373443.db2.gz NYBYZROEYLJQQU-LBPRGKRZSA-N 2 2 317.324 0.948 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC001200842699 774415275 /nfs/dbraw/zinc/41/52/75/774415275.db2.gz UOWBXUKRPSVAIK-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219544078 774531660 /nfs/dbraw/zinc/53/16/60/774531660.db2.gz ZKRFFGWKGLSKDZ-MJBXVCDLSA-N 2 2 306.410 0.858 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219544078 774531662 /nfs/dbraw/zinc/53/16/62/774531662.db2.gz ZKRFFGWKGLSKDZ-MJBXVCDLSA-N 2 2 306.410 0.858 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219663109 774574435 /nfs/dbraw/zinc/57/44/35/774574435.db2.gz SYVJQFNNIRBXFF-MCIONIFRSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219663109 774574438 /nfs/dbraw/zinc/57/44/38/774574438.db2.gz SYVJQFNNIRBXFF-MCIONIFRSA-N 2 2 304.394 0.191 20 30 DCEDLP C=C[C@@H]1C[C@@]1(NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)OCC ZINC001220573267 774849415 /nfs/dbraw/zinc/84/94/15/774849415.db2.gz JOVBNYYAFJZSGD-KEYYUXOJSA-N 2 2 317.389 0.883 20 30 DCEDLP COCC#CC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225167850 775652679 /nfs/dbraw/zinc/65/26/79/775652679.db2.gz DCHBIDNQFBVULV-UHFFFAOYSA-N 2 2 318.421 0.441 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266859917 939257177 /nfs/dbraw/zinc/25/71/77/939257177.db2.gz SERSDAGPPQUWCJ-OAHLLOKOSA-N 2 2 322.453 0.355 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266859917 939257180 /nfs/dbraw/zinc/25/71/80/939257180.db2.gz SERSDAGPPQUWCJ-OAHLLOKOSA-N 2 2 322.453 0.355 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001267310330 939421929 /nfs/dbraw/zinc/42/19/29/939421929.db2.gz VUCNXPXWCCAFLD-MRXNPFEDSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267741864 939654169 /nfs/dbraw/zinc/65/41/69/939654169.db2.gz PRPSXEVESGLKPP-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267741864 939654170 /nfs/dbraw/zinc/65/41/70/939654170.db2.gz PRPSXEVESGLKPP-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267741864 939654171 /nfs/dbraw/zinc/65/41/71/939654171.db2.gz PRPSXEVESGLKPP-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267741864 939654172 /nfs/dbraw/zinc/65/41/72/939654172.db2.gz PRPSXEVESGLKPP-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481474082 939887508 /nfs/dbraw/zinc/88/75/08/939887508.db2.gz LUHIZFLRVVUQSM-IYBDPMFKSA-N 2 2 321.469 0.459 20 30 DCEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481474082 939887513 /nfs/dbraw/zinc/88/75/13/939887513.db2.gz LUHIZFLRVVUQSM-IYBDPMFKSA-N 2 2 321.469 0.459 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268095008 939945103 /nfs/dbraw/zinc/94/51/03/939945103.db2.gz XJXWQPHBPSVBMZ-RYUDHWBXSA-N 2 2 307.398 0.079 20 30 DCEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269200364 940645643 /nfs/dbraw/zinc/64/56/43/940645643.db2.gz VGAYZZGIRUPYAV-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269200364 940645646 /nfs/dbraw/zinc/64/56/46/940645646.db2.gz VGAYZZGIRUPYAV-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001269200364 940645648 /nfs/dbraw/zinc/64/56/48/940645648.db2.gz VGAYZZGIRUPYAV-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269200364 940645651 /nfs/dbraw/zinc/64/56/51/940645651.db2.gz VGAYZZGIRUPYAV-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001269321593 940682267 /nfs/dbraw/zinc/68/22/67/940682267.db2.gz YZGCGAMYGCHYPK-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001269321593 940682268 /nfs/dbraw/zinc/68/22/68/940682268.db2.gz YZGCGAMYGCHYPK-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001483448240 942362688 /nfs/dbraw/zinc/36/26/88/942362688.db2.gz ULDWCWGZZVWEKU-JKSUJKDBSA-N 2 2 318.421 0.798 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001483448238 942363196 /nfs/dbraw/zinc/36/31/96/942363196.db2.gz ULDWCWGZZVWEKU-HOTGVXAUSA-N 2 2 318.421 0.798 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272414712 942743005 /nfs/dbraw/zinc/74/30/05/942743005.db2.gz RUCZZOLUKPPVMB-CQSZACIVSA-N 2 2 302.378 0.899 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001484682077 943513987 /nfs/dbraw/zinc/51/39/87/943513987.db2.gz HELLKIDOKFFDCI-GJZGRUSLSA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CO2 ZINC001484805668 943583632 /nfs/dbraw/zinc/58/36/32/943583632.db2.gz UHLBZFLVPGEFTI-GJZGRUSLSA-N 2 2 323.437 0.100 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)CO2 ZINC001484805668 943583635 /nfs/dbraw/zinc/58/36/35/943583635.db2.gz UHLBZFLVPGEFTI-GJZGRUSLSA-N 2 2 323.437 0.100 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485559224 943993428 /nfs/dbraw/zinc/99/34/28/943993428.db2.gz WICSINZSXOIYHS-KRWDZBQOSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485559224 943993438 /nfs/dbraw/zinc/99/34/38/943993438.db2.gz WICSINZSXOIYHS-KRWDZBQOSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485559224 943993443 /nfs/dbraw/zinc/99/34/43/943993443.db2.gz WICSINZSXOIYHS-KRWDZBQOSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485559224 943993451 /nfs/dbraw/zinc/99/34/51/943993451.db2.gz WICSINZSXOIYHS-KRWDZBQOSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317081722 944782493 /nfs/dbraw/zinc/78/24/93/944782493.db2.gz SOQOGSWDGMHTBE-KKUMJFAQSA-N 2 2 318.421 0.885 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317081723 944782591 /nfs/dbraw/zinc/78/25/91/944782591.db2.gz SOQOGSWDGMHTBE-RBSFLKMASA-N 2 2 318.421 0.885 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+](CC)[C@@H]2CCOC2)CC1 ZINC001251851298 945797571 /nfs/dbraw/zinc/79/75/71/945797571.db2.gz IJTSGZPNFWDXCZ-IAGOWNOFSA-N 2 2 310.438 0.572 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001251851298 945797576 /nfs/dbraw/zinc/79/75/76/945797576.db2.gz IJTSGZPNFWDXCZ-IAGOWNOFSA-N 2 2 310.438 0.572 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273277390 946414308 /nfs/dbraw/zinc/41/43/08/946414308.db2.gz SXTYZKFMGOYFTO-CVEARBPZSA-N 2 2 318.421 0.921 20 30 DCEDLP C=CCN1CCN(C)C2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001256204615 946593735 /nfs/dbraw/zinc/59/37/35/946593735.db2.gz JBOYLLUOWADTHD-UHFFFAOYSA-N 2 2 320.481 0.875 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457241 947300090 /nfs/dbraw/zinc/30/00/90/947300090.db2.gz BWDJYSFAEBLQRB-HIFRSBDPSA-N 3 2 307.442 0.292 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457241 947300096 /nfs/dbraw/zinc/30/00/96/947300096.db2.gz BWDJYSFAEBLQRB-HIFRSBDPSA-N 3 2 307.442 0.292 20 30 DCEDLP C[NH+](C)CC1(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001324559415 947455791 /nfs/dbraw/zinc/45/57/91/947455791.db2.gz HHTHXPZWLVTRDU-OAHLLOKOSA-N 2 2 319.453 0.070 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273864309 948640751 /nfs/dbraw/zinc/64/07/51/948640751.db2.gz UOGVEWDRNTZWOM-QAPCUYQASA-N 2 2 321.465 0.826 20 30 DCEDLP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273864309 948640755 /nfs/dbraw/zinc/64/07/55/948640755.db2.gz UOGVEWDRNTZWOM-QAPCUYQASA-N 2 2 321.465 0.826 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001273883942 948658319 /nfs/dbraw/zinc/65/83/19/948658319.db2.gz FUPKRNAMYRQLJM-XJKCOSOUSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001273883942 948658325 /nfs/dbraw/zinc/65/83/25/948658325.db2.gz FUPKRNAMYRQLJM-XJKCOSOUSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001264364858 948937861 /nfs/dbraw/zinc/93/78/61/948937861.db2.gz LQVSZFBNNAAMLZ-OAHLLOKOSA-N 2 2 306.410 0.927 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001264364858 948937876 /nfs/dbraw/zinc/93/78/76/948937876.db2.gz LQVSZFBNNAAMLZ-OAHLLOKOSA-N 2 2 306.410 0.927 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001279403499 950564999 /nfs/dbraw/zinc/56/49/99/950564999.db2.gz QHQCHNJXKNUACP-OKILXGFUSA-N 2 2 304.394 0.545 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001279403499 950565019 /nfs/dbraw/zinc/56/50/19/950565019.db2.gz QHQCHNJXKNUACP-OKILXGFUSA-N 2 2 304.394 0.545 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001280601862 950978689 /nfs/dbraw/zinc/97/86/89/950978689.db2.gz VZASWXUVEIMDMK-KBPBESRZSA-N 2 2 304.394 0.449 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC001331449789 951124836 /nfs/dbraw/zinc/12/48/36/951124836.db2.gz OGUGLEIDZOIHPJ-AWEZNQCLSA-N 2 2 323.437 0.910 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001332528709 951681522 /nfs/dbraw/zinc/68/15/22/951681522.db2.gz KNOOFRRSASZZKN-UKRRQHHQSA-N 2 2 306.410 0.431 20 30 DCEDLP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274617343 951743404 /nfs/dbraw/zinc/74/34/04/951743404.db2.gz XKINGXLYOFBQJR-IRXDYDNUSA-N 2 2 318.421 0.887 20 30 DCEDLP C=C[C@](C)(O)C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274617343 951743413 /nfs/dbraw/zinc/74/34/13/951743413.db2.gz XKINGXLYOFBQJR-IRXDYDNUSA-N 2 2 318.421 0.887 20 30 DCEDLP C#CC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001275559270 952262793 /nfs/dbraw/zinc/26/27/93/952262793.db2.gz IVWYNQRVFXDFRQ-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001275559270 952262798 /nfs/dbraw/zinc/26/27/98/952262798.db2.gz IVWYNQRVFXDFRQ-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001275559270 952262802 /nfs/dbraw/zinc/26/28/02/952262802.db2.gz IVWYNQRVFXDFRQ-WFASDCNBSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001275559270 952262808 /nfs/dbraw/zinc/26/28/08/952262808.db2.gz IVWYNQRVFXDFRQ-WFASDCNBSA-N 2 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/nfs/dbraw/zinc/58/65/23/416586523.db2.gz MSLWBHAABALAFB-SFHVURJKSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000491120695 416586529 /nfs/dbraw/zinc/58/65/29/416586529.db2.gz MSLWBHAABALAFB-SFHVURJKSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000491120695 416586534 /nfs/dbraw/zinc/58/65/34/416586534.db2.gz MSLWBHAABALAFB-SFHVURJKSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000491120695 416586539 /nfs/dbraw/zinc/58/65/39/416586539.db2.gz MSLWBHAABALAFB-SFHVURJKSA-N 2 2 318.465 0.182 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424164339 416620240 /nfs/dbraw/zinc/62/02/40/416620240.db2.gz CCZUAXONLFVYMG-OLZOCXBDSA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424164339 416620242 /nfs/dbraw/zinc/62/02/42/416620242.db2.gz CCZUAXONLFVYMG-OLZOCXBDSA-N 2 2 310.398 0.103 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491741354 416622323 /nfs/dbraw/zinc/62/23/23/416622323.db2.gz ZKIGZZBSOJZEHZ-GJZGRUSLSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491741354 416622325 /nfs/dbraw/zinc/62/23/25/416622325.db2.gz ZKIGZZBSOJZEHZ-GJZGRUSLSA-N 2 2 310.442 0.350 20 30 DCEDLP N#CCC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000564853265 416897644 /nfs/dbraw/zinc/89/76/44/416897644.db2.gz AOONMPZCCJFDIR-AWEZNQCLSA-N 2 2 316.409 0.785 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294437 416912631 /nfs/dbraw/zinc/91/26/31/416912631.db2.gz KTPDTOPIVBACCC-ARFHVFGLSA-N 2 2 322.453 0.932 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371294437 416912638 /nfs/dbraw/zinc/91/26/38/416912638.db2.gz KTPDTOPIVBACCC-ARFHVFGLSA-N 2 2 322.453 0.932 20 30 DCEDLP C=CCCn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000657345979 417851713 /nfs/dbraw/zinc/85/17/13/417851713.db2.gz CHMKFDGHUTYPAY-UHFFFAOYSA-N 2 2 306.414 0.108 20 30 DCEDLP C=CC[C@]1(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCC[NH2+]1 ZINC000662758155 417893808 /nfs/dbraw/zinc/89/38/08/417893808.db2.gz PLRTVELFRLCVFA-QGZVFWFLSA-N 2 2 317.437 0.763 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316288 418126280 /nfs/dbraw/zinc/12/62/80/418126280.db2.gz YMVDHVDPPGRMCO-IMJJTQAJSA-N 2 2 307.438 0.862 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316288 418126283 /nfs/dbraw/zinc/12/62/83/418126283.db2.gz YMVDHVDPPGRMCO-IMJJTQAJSA-N 2 2 307.438 0.862 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659809640 418182531 /nfs/dbraw/zinc/18/25/31/418182531.db2.gz HQRVJIHQJPMBOG-HOTGVXAUSA-N 2 2 324.469 0.015 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000491375109 277687508 /nfs/dbraw/zinc/68/75/08/277687508.db2.gz UMWPHLQRWQSYDW-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2ncccn2)CC1 ZINC000261828831 278167097 /nfs/dbraw/zinc/16/70/97/278167097.db2.gz YOTIHHOEQOGBCI-UHFFFAOYSA-N 2 2 317.441 0.270 20 30 DCEDLP C=C(C)COCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000151553271 332587147 /nfs/dbraw/zinc/58/71/47/332587147.db2.gz VDOSPUPXICRBQC-UHFFFAOYSA-N 2 2 312.458 0.904 20 30 DCEDLP C[C@H](O)[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000330821630 334813836 /nfs/dbraw/zinc/81/38/36/334813836.db2.gz NNUVQZDWPVWEIJ-UONOGXRCSA-N 2 2 312.458 0.629 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329964115 336100474 /nfs/dbraw/zinc/10/04/74/336100474.db2.gz QHCNIPZOKTWGLQ-YUELXQCFSA-N 2 2 321.425 0.756 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329964115 336100475 /nfs/dbraw/zinc/10/04/75/336100475.db2.gz QHCNIPZOKTWGLQ-YUELXQCFSA-N 2 2 321.425 0.756 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C 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BJEJSDBSVDDNSZ-STQMWFEESA-N 2 2 306.435 0.835 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nccs1 ZINC001569061397 1160931422 /nfs/dbraw/zinc/93/14/22/1160931422.db2.gz BJEJSDBSVDDNSZ-STQMWFEESA-N 2 2 306.435 0.835 20 30 DCEDLP C=C(CC)C[NH+]1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000358627383 526852500 /nfs/dbraw/zinc/85/25/00/526852500.db2.gz WNLSHIDWEHDUGQ-UHFFFAOYSA-N 2 2 316.471 0.062 20 30 DCEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645241 528688945 /nfs/dbraw/zinc/68/89/45/528688945.db2.gz JFVFZEMNUQITKN-CQSZACIVSA-N 2 2 310.442 0.383 20 30 DCEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357645241 528688951 /nfs/dbraw/zinc/68/89/51/528688951.db2.gz JFVFZEMNUQITKN-CQSZACIVSA-N 2 2 310.442 0.383 20 30 DCEDLP C#CCC[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981514503 661163642 /nfs/dbraw/zinc/16/36/42/661163642.db2.gz ZHUCRAJPFQITLI-UHFFFAOYSA-N 2 2 304.394 0.907 20 30 DCEDLP C#CCC[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000981514503 661163645 /nfs/dbraw/zinc/16/36/45/661163645.db2.gz ZHUCRAJPFQITLI-UHFFFAOYSA-N 2 2 304.394 0.907 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420511 657486700 /nfs/dbraw/zinc/48/67/00/657486700.db2.gz PJHBIVYPLKYVCB-OCCSQVGLSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972538920 657676405 /nfs/dbraw/zinc/67/64/05/657676405.db2.gz ZWKXSEHLWLKSMV-NVXWUHKLSA-N 2 2 307.438 0.509 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972637728 658137885 /nfs/dbraw/zinc/13/78/85/658137885.db2.gz DORVPMIAXGZHTE-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972637728 658137891 /nfs/dbraw/zinc/13/78/91/658137891.db2.gz DORVPMIAXGZHTE-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637728 658137895 /nfs/dbraw/zinc/13/78/95/658137895.db2.gz DORVPMIAXGZHTE-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637728 658137897 /nfs/dbraw/zinc/13/78/97/658137897.db2.gz DORVPMIAXGZHTE-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969979503 658313719 /nfs/dbraw/zinc/31/37/19/658313719.db2.gz HBCDITNSQBNWFR-ZIAGYGMSSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972407288 658727573 /nfs/dbraw/zinc/72/75/73/658727573.db2.gz DQRHKUVWBONLTH-QGZVFWFLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972407288 658727577 /nfs/dbraw/zinc/72/75/77/658727577.db2.gz DQRHKUVWBONLTH-QGZVFWFLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972407288 658727579 /nfs/dbraw/zinc/72/75/79/658727579.db2.gz DQRHKUVWBONLTH-QGZVFWFLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972407288 658727583 /nfs/dbraw/zinc/72/75/83/658727583.db2.gz DQRHKUVWBONLTH-QGZVFWFLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021081050 658754102 /nfs/dbraw/zinc/75/41/02/658754102.db2.gz URUHHUBYEJSHOJ-BZUAXINKSA-N 2 2 307.438 0.910 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920473 665905331 /nfs/dbraw/zinc/90/53/31/665905331.db2.gz GXTROYZLTVFFPY-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920473 665905334 /nfs/dbraw/zinc/90/53/34/665905334.db2.gz GXTROYZLTVFFPY-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC001030024709 664178781 /nfs/dbraw/zinc/17/87/81/664178781.db2.gz KTWYCKRCGYXTDB-ZACQAIPSSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCOC2)C1 ZINC001030024709 664178782 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ZINC001107236089 751968769 /nfs/dbraw/zinc/96/87/69/751968769.db2.gz PDWZIBNGLRPEHG-UHFFFAOYSA-N 2 2 318.425 0.423 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)[C@@H]1CC ZINC001087608019 748995899 /nfs/dbraw/zinc/99/58/99/748995899.db2.gz KZRUDBGKYBRARW-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H]1CC ZINC001087608019 748995903 /nfs/dbraw/zinc/99/59/03/748995903.db2.gz KZRUDBGKYBRARW-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)[C@@H]1CC ZINC001087608019 748995907 /nfs/dbraw/zinc/99/59/07/748995907.db2.gz KZRUDBGKYBRARW-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)[C@@H]1CC ZINC001087608019 748995911 /nfs/dbraw/zinc/99/59/11/748995911.db2.gz KZRUDBGKYBRARW-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100143334 761933921 /nfs/dbraw/zinc/93/39/21/761933921.db2.gz RKUOGVSSSJVXJW-IRXDYDNUSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100143334 761933927 /nfs/dbraw/zinc/93/39/27/761933927.db2.gz RKUOGVSSSJVXJW-IRXDYDNUSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100143334 761933935 /nfs/dbraw/zinc/93/39/35/761933935.db2.gz RKUOGVSSSJVXJW-IRXDYDNUSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001100143334 761933941 /nfs/dbraw/zinc/93/39/41/761933941.db2.gz RKUOGVSSSJVXJW-IRXDYDNUSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132539 750218093 /nfs/dbraw/zinc/21/80/93/750218093.db2.gz YANSMKSUPQNZNP-BZUAXINKSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132539 750218096 /nfs/dbraw/zinc/21/80/96/750218096.db2.gz YANSMKSUPQNZNP-BZUAXINKSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132539 750218099 /nfs/dbraw/zinc/21/80/99/750218099.db2.gz YANSMKSUPQNZNP-BZUAXINKSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132539 750218103 /nfs/dbraw/zinc/21/81/03/750218103.db2.gz YANSMKSUPQNZNP-BZUAXINKSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@H+](CC(C)C)CCO1 ZINC001108004555 752900006 /nfs/dbraw/zinc/90/00/06/752900006.db2.gz XDSASCJSXAAZKX-WMZOPIPTSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CC(C)C)CCO1 ZINC001108004555 752900008 /nfs/dbraw/zinc/90/00/08/752900008.db2.gz XDSASCJSXAAZKX-WMZOPIPTSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)C[NH+](CC(C)C)CCO1 ZINC001108004555 752900013 /nfs/dbraw/zinc/90/00/13/752900013.db2.gz XDSASCJSXAAZKX-WMZOPIPTSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048900 753482048 /nfs/dbraw/zinc/48/20/48/753482048.db2.gz FVSXFILZTAJALL-KRWDZBQOSA-N 2 2 319.449 0.845 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048900 753482056 /nfs/dbraw/zinc/48/20/56/753482056.db2.gz FVSXFILZTAJALL-KRWDZBQOSA-N 2 2 319.449 0.845 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431857 754274436 /nfs/dbraw/zinc/27/44/36/754274436.db2.gz IZCOFCNRXRDTQY-BPUTZDHNSA-N 2 2 318.421 0.525 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431857 754274441 /nfs/dbraw/zinc/27/44/41/754274441.db2.gz IZCOFCNRXRDTQY-BPUTZDHNSA-N 2 2 318.421 0.525 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047533000 754367750 /nfs/dbraw/zinc/36/77/50/754367750.db2.gz VDYMOOHYZAAFJY-UXOAXIEHSA-N 2 2 304.394 0.213 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047533000 754367757 /nfs/dbraw/zinc/36/77/57/754367757.db2.gz VDYMOOHYZAAFJY-UXOAXIEHSA-N 2 2 304.394 0.213 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048901377 755006456 /nfs/dbraw/zinc/00/64/56/755006456.db2.gz YAAOFLSEQJAEHY-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048901377 755006460 /nfs/dbraw/zinc/00/64/60/755006460.db2.gz YAAOFLSEQJAEHY-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001096585993 755436829 /nfs/dbraw/zinc/43/68/29/755436829.db2.gz GKRJRCYRYJAQKW-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001096585993 755436832 /nfs/dbraw/zinc/43/68/32/755436832.db2.gz GKRJRCYRYJAQKW-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096585993 755436835 /nfs/dbraw/zinc/43/68/35/755436835.db2.gz GKRJRCYRYJAQKW-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096585993 755436839 /nfs/dbraw/zinc/43/68/39/755436839.db2.gz GKRJRCYRYJAQKW-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052987352 755898557 /nfs/dbraw/zinc/89/85/57/755898557.db2.gz JYIJJODMCSXBGV-CWRNSKLLSA-N 2 2 320.437 0.278 20 30 DCEDLP C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052987352 755898563 /nfs/dbraw/zinc/89/85/63/755898563.db2.gz JYIJJODMCSXBGV-CWRNSKLLSA-N 2 2 320.437 0.278 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981860 756070695 /nfs/dbraw/zinc/07/06/95/756070695.db2.gz DYYGMNWWYRXIII-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981860 756070701 /nfs/dbraw/zinc/07/07/01/756070701.db2.gz DYYGMNWWYRXIII-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080012240 756072054 /nfs/dbraw/zinc/07/20/54/756072054.db2.gz UGAOLPRFAMCYAG-IUODEOHRSA-N 2 2 304.394 0.810 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080012240 756072059 /nfs/dbraw/zinc/07/20/59/756072059.db2.gz UGAOLPRFAMCYAG-IUODEOHRSA-N 2 2 304.394 0.810 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318235 756173082 /nfs/dbraw/zinc/17/30/82/756173082.db2.gz LFQIWTLOVHTNPN-OAGGEKHMSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318235 756173085 /nfs/dbraw/zinc/17/30/85/756173085.db2.gz LFQIWTLOVHTNPN-OAGGEKHMSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080318235 756173087 /nfs/dbraw/zinc/17/30/87/756173087.db2.gz LFQIWTLOVHTNPN-OAGGEKHMSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080318235 756173090 /nfs/dbraw/zinc/17/30/90/756173090.db2.gz LFQIWTLOVHTNPN-OAGGEKHMSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053871449 756252921 /nfs/dbraw/zinc/25/29/21/756252921.db2.gz GHEZZMWMNZWKBV-CQSZACIVSA-N 2 2 302.378 0.174 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CO2 ZINC001054015036 756333960 /nfs/dbraw/zinc/33/39/60/756333960.db2.gz WYBAYWGHCZHAMM-LSDHHAIUSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054015036 756333965 /nfs/dbraw/zinc/33/39/65/756333965.db2.gz WYBAYWGHCZHAMM-LSDHHAIUSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)CC1 ZINC001054015705 756334353 /nfs/dbraw/zinc/33/43/53/756334353.db2.gz NIADAIIUNWINTQ-HNNXBMFYSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001054693634 756609439 /nfs/dbraw/zinc/60/94/39/756609439.db2.gz SHHNNDTUVYSYMF-DZGCQCFKSA-N 2 2 300.406 0.832 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880326 756833655 /nfs/dbraw/zinc/83/36/55/756833655.db2.gz WTMHOOQEOUTQDE-HUUCEWRRSA-N 2 2 322.409 0.741 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880326 756833659 /nfs/dbraw/zinc/83/36/59/756833659.db2.gz WTMHOOQEOUTQDE-HUUCEWRRSA-N 2 2 322.409 0.741 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880218 756834046 /nfs/dbraw/zinc/83/40/46/756834046.db2.gz PZHTVJOEYNASLT-HUUCEWRRSA-N 2 2 322.409 0.741 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880218 756834052 /nfs/dbraw/zinc/83/40/52/756834052.db2.gz PZHTVJOEYNASLT-HUUCEWRRSA-N 2 2 322.409 0.741 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001082070407 756918109 /nfs/dbraw/zinc/91/81/09/756918109.db2.gz BVXNBHWNIDGMME-NUEKZKHPSA-N 2 2 318.421 0.755 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](OC)C1 ZINC001082070407 756918114 /nfs/dbraw/zinc/91/81/14/756918114.db2.gz BVXNBHWNIDGMME-NUEKZKHPSA-N 2 2 318.421 0.755 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198811 756954143 /nfs/dbraw/zinc/95/41/43/756954143.db2.gz NWUSUBPOEWPWPN-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198811 756954147 /nfs/dbraw/zinc/95/41/47/756954147.db2.gz NWUSUBPOEWPWPN-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082198811 756954150 /nfs/dbraw/zinc/95/41/50/756954150.db2.gz NWUSUBPOEWPWPN-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082198811 756954153 /nfs/dbraw/zinc/95/41/53/756954153.db2.gz NWUSUBPOEWPWPN-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001082663952 757217821 /nfs/dbraw/zinc/21/78/21/757217821.db2.gz ODOHKTFLGOOKSK-OIISXLGYSA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001082663952 757217832 /nfs/dbraw/zinc/21/78/32/757217832.db2.gz ODOHKTFLGOOKSK-OIISXLGYSA-N 2 2 319.449 0.557 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006922 757271024 /nfs/dbraw/zinc/27/10/24/757271024.db2.gz RTHDMTMAFWNRBM-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006922 757271032 /nfs/dbraw/zinc/27/10/32/757271032.db2.gz RTHDMTMAFWNRBM-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006922 757271036 /nfs/dbraw/zinc/27/10/36/757271036.db2.gz RTHDMTMAFWNRBM-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006922 757271041 /nfs/dbraw/zinc/27/10/41/757271041.db2.gz RTHDMTMAFWNRBM-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083066217 757466443 /nfs/dbraw/zinc/46/64/43/757466443.db2.gz QLSNPVSNNGZRDM-UONOGXRCSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083066217 757466448 /nfs/dbraw/zinc/46/64/48/757466448.db2.gz QLSNPVSNNGZRDM-UONOGXRCSA-N 2 2 304.394 0.830 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110620 757470520 /nfs/dbraw/zinc/47/05/20/757470520.db2.gz MMFOKCNWSXGQNH-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110620 757470526 /nfs/dbraw/zinc/47/05/26/757470526.db2.gz MMFOKCNWSXGQNH-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110620 757470529 /nfs/dbraw/zinc/47/05/29/757470529.db2.gz MMFOKCNWSXGQNH-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110620 757470537 /nfs/dbraw/zinc/47/05/37/757470537.db2.gz MMFOKCNWSXGQNH-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168938 757541880 /nfs/dbraw/zinc/54/18/80/757541880.db2.gz VATVLCGZVNMFAO-HRCADAONSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168938 757541887 /nfs/dbraw/zinc/54/18/87/757541887.db2.gz VATVLCGZVNMFAO-HRCADAONSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168938 757541895 /nfs/dbraw/zinc/54/18/95/757541895.db2.gz VATVLCGZVNMFAO-HRCADAONSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168938 757541904 /nfs/dbraw/zinc/54/19/04/757541904.db2.gz 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20 30 DCEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000295108679 275380548 /nfs/dbraw/zinc/38/05/48/275380548.db2.gz XAFIMQWJQYIPBL-CYBMUJFWSA-N 2 2 309.435 0.940 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201519 332311130 /nfs/dbraw/zinc/31/11/30/332311130.db2.gz SFOHEZYMTOLLRC-JKSUJKDBSA-N 2 2 322.453 0.791 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000491761218 333193892 /nfs/dbraw/zinc/19/38/92/333193892.db2.gz VDGUOLKDISQVMQ-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000491761218 333193894 /nfs/dbraw/zinc/19/38/94/333193894.db2.gz VDGUOLKDISQVMQ-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000491761218 333193895 /nfs/dbraw/zinc/19/38/95/333193895.db2.gz VDGUOLKDISQVMQ-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C=CCC[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000458603675 339001630 /nfs/dbraw/zinc/00/16/30/339001630.db2.gz UWYMNMAKVSMLOM-AWEZNQCLSA-N 2 2 312.458 0.639 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)CC1 ZINC000490779114 339839981 /nfs/dbraw/zinc/83/99/81/339839981.db2.gz RFBIBMNTUOHPFX-SFHVURJKSA-N 2 2 321.465 0.685 20 30 DCEDLP CC(C)(C)NC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000262023003 526283477 /nfs/dbraw/zinc/28/34/77/526283477.db2.gz YPWKLUDACSMROH-CQSZACIVSA-N 2 2 300.472 0.897 20 30 DCEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCOC1 ZINC000262686920 526365262 /nfs/dbraw/zinc/36/52/62/526365262.db2.gz AUPLSRGCDNFBQL-CYBMUJFWSA-N 2 2 305.426 0.963 20 30 DCEDLP C=CCNC(=[NH2+])NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000264128922 526387671 /nfs/dbraw/zinc/38/76/71/526387671.db2.gz XFFMCBCCUYEXMP-UHFFFAOYSA-N 2 2 318.421 0.988 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000357122855 526537146 /nfs/dbraw/zinc/53/71/46/526537146.db2.gz BTNYUEDJFLEVGW-INIZCTEOSA-N 2 2 308.470 0.781 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000357122855 526537150 /nfs/dbraw/zinc/53/71/50/526537150.db2.gz BTNYUEDJFLEVGW-INIZCTEOSA-N 2 2 308.470 0.781 20 30 DCEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCCn2cc[nH+]c2)CC1 ZINC000264080706 528950599 /nfs/dbraw/zinc/95/05/99/528950599.db2.gz IIYCUSAEPHUBSV-UHFFFAOYSA-N 2 2 308.386 0.408 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS(=O)(=O)C1 ZINC000262325098 529100352 /nfs/dbraw/zinc/10/03/52/529100352.db2.gz STMXXKPZILRICC-OLZOCXBDSA-N 2 2 316.471 0.200 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCS(=O)(=O)C1 ZINC000262325098 529100357 /nfs/dbraw/zinc/10/03/57/529100357.db2.gz STMXXKPZILRICC-OLZOCXBDSA-N 2 2 316.471 0.200 20 30 DCEDLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329272513 546045117 /nfs/dbraw/zinc/04/51/17/546045117.db2.gz AELFYESKMGPXLB-MELADBBJSA-N 2 2 310.442 0.836 20 30 DCEDLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000329272513 546045122 /nfs/dbraw/zinc/04/51/22/546045122.db2.gz AELFYESKMGPXLB-MELADBBJSA-N 2 2 310.442 0.836 20 30 DCEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329398763 546049216 /nfs/dbraw/zinc/04/92/16/546049216.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 2 311.474 0.468 20 30 DCEDLP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329398763 546049219 /nfs/dbraw/zinc/04/92/19/546049219.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 2 311.474 0.468 20 30 DCEDLP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000329398763 546049223 /nfs/dbraw/zinc/04/92/23/546049223.db2.gz YFVBUNOZMJAARD-HUUCEWRRSA-N 2 2 311.474 0.468 20 30 DCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329466341 546049838 /nfs/dbraw/zinc/04/98/38/546049838.db2.gz RXXYZNIMOCUBSI-ZIAGYGMSSA-N 2 2 309.458 0.363 20 30 DCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329466341 546049840 /nfs/dbraw/zinc/04/98/40/546049840.db2.gz RXXYZNIMOCUBSI-ZIAGYGMSSA-N 2 2 309.458 0.363 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454774 660945524 /nfs/dbraw/zinc/94/55/24/660945524.db2.gz YVXSJLCINMIURG-HZPDHXFCSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984900 661016980 /nfs/dbraw/zinc/01/69/80/661016980.db2.gz WEMYZZDWJVRVFX-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984900 661016983 /nfs/dbraw/zinc/01/69/83/661016983.db2.gz WEMYZZDWJVRVFX-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028136030 661230601 /nfs/dbraw/zinc/23/06/01/661230601.db2.gz ABEMSBMBWUFDBK-LSDHHAIUSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028136030 661230602 /nfs/dbraw/zinc/23/06/02/661230602.db2.gz ABEMSBMBWUFDBK-LSDHHAIUSA-N 2 2 300.406 0.968 20 30 DCEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970764013 657893903 /nfs/dbraw/zinc/89/39/03/657893903.db2.gz XFWGAGAWERXUGR-HZPDHXFCSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001022495594 657997786 /nfs/dbraw/zinc/99/77/86/657997786.db2.gz HAPBEZUIJWMZGT-XHSDSOJGSA-N 2 2 307.438 0.910 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001022495594 657997790 /nfs/dbraw/zinc/99/77/90/657997790.db2.gz HAPBEZUIJWMZGT-XHSDSOJGSA-N 2 2 307.438 0.910 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccon2)C1 ZINC000998922095 665550372 /nfs/dbraw/zinc/55/03/72/665550372.db2.gz FPNUWVJKEMBGAD-GPANFISMSA-N 2 2 316.405 0.851 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccon2)C1 ZINC000998922095 665550373 /nfs/dbraw/zinc/55/03/73/665550373.db2.gz FPNUWVJKEMBGAD-GPANFISMSA-N 2 2 316.405 0.851 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000999213483 665602593 /nfs/dbraw/zinc/60/25/93/665602593.db2.gz DSZJXGLVRNYKAX-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CC)CCO2 ZINC000972416963 658740112 /nfs/dbraw/zinc/74/01/12/658740112.db2.gz OFNGPEPVOOECGX-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CC)CCO2 ZINC000972416963 658740114 /nfs/dbraw/zinc/74/01/14/658740114.db2.gz OFNGPEPVOOECGX-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CC)CCO2 ZINC000972416963 658740118 /nfs/dbraw/zinc/74/01/18/658740118.db2.gz OFNGPEPVOOECGX-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CC)CCO2 ZINC000972416963 658740121 /nfs/dbraw/zinc/74/01/21/658740121.db2.gz OFNGPEPVOOECGX-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027472342 659560017 /nfs/dbraw/zinc/56/00/17/659560017.db2.gz PMKGKQFJAGTLJY-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027472342 659560020 /nfs/dbraw/zinc/56/00/20/659560020.db2.gz PMKGKQFJAGTLJY-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969332 659743898 /nfs/dbraw/zinc/74/38/98/659743898.db2.gz IWGZOQSXWOPHFD-CVEARBPZSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969332 659743900 /nfs/dbraw/zinc/74/39/00/659743900.db2.gz IWGZOQSXWOPHFD-CVEARBPZSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969332 659743905 /nfs/dbraw/zinc/74/39/05/659743905.db2.gz IWGZOQSXWOPHFD-CVEARBPZSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969332 659743908 /nfs/dbraw/zinc/74/39/08/659743908.db2.gz IWGZOQSXWOPHFD-CVEARBPZSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975037678 659770068 /nfs/dbraw/zinc/77/00/68/659770068.db2.gz BOXRMEXWYJEJBL-NFAWXSAZSA-N 2 2 300.406 0.983 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975037678 659770073 /nfs/dbraw/zinc/77/00/73/659770073.db2.gz BOXRMEXWYJEJBL-NFAWXSAZSA-N 2 2 300.406 0.983 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641344 661713633 /nfs/dbraw/zinc/71/36/33/661713633.db2.gz DWUDHPLNYQLXTD-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641344 661713635 /nfs/dbraw/zinc/71/36/35/661713635.db2.gz DWUDHPLNYQLXTD-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755071 661806545 /nfs/dbraw/zinc/80/65/45/661806545.db2.gz FSMZYUMLQDSDIN-RDJZCZTQSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755071 661806547 /nfs/dbraw/zinc/80/65/47/661806547.db2.gz FSMZYUMLQDSDIN-RDJZCZTQSA-N 2 2 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316.405 0.286 20 30 DCEDLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001771873411 1190538305 /nfs/dbraw/zinc/53/83/05/1190538305.db2.gz NSOPJUMMHYSJHG-GWUWNPHMSA-N 2 2 320.437 0.353 20 30 DCEDLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001771873411 1190538307 /nfs/dbraw/zinc/53/83/07/1190538307.db2.gz NSOPJUMMHYSJHG-GWUWNPHMSA-N 2 2 320.437 0.353 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192535 746970372 /nfs/dbraw/zinc/97/03/72/746970372.db2.gz FKUDMJHXUJIMDL-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192535 746970378 /nfs/dbraw/zinc/97/03/78/746970378.db2.gz FKUDMJHXUJIMDL-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192535 746970384 /nfs/dbraw/zinc/97/03/84/746970384.db2.gz FKUDMJHXUJIMDL-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192535 746970386 /nfs/dbraw/zinc/97/03/86/746970386.db2.gz FKUDMJHXUJIMDL-OWCLPIDISA-N 2 2 305.422 0.263 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203443441 749121851 /nfs/dbraw/zinc/12/18/51/749121851.db2.gz NTXHEFBCVNBAIQ-HUUCEWRRSA-N 2 2 316.405 0.619 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212070912 749764048 /nfs/dbraw/zinc/76/40/48/749764048.db2.gz CKGVWCHKGHQJJW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001212070912 749764052 /nfs/dbraw/zinc/76/40/52/749764052.db2.gz CKGVWCHKGHQJJW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001212070912 749764056 /nfs/dbraw/zinc/76/40/56/749764056.db2.gz CKGVWCHKGHQJJW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001212070912 749764061 /nfs/dbraw/zinc/76/40/61/749764061.db2.gz CKGVWCHKGHQJJW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083525073 750097465 /nfs/dbraw/zinc/09/74/65/750097465.db2.gz YANSMKSUPQNZNP-OAGGEKHMSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083525073 750097470 /nfs/dbraw/zinc/09/74/70/750097470.db2.gz YANSMKSUPQNZNP-OAGGEKHMSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525073 750097472 /nfs/dbraw/zinc/09/74/72/750097472.db2.gz YANSMKSUPQNZNP-OAGGEKHMSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083525073 750097476 /nfs/dbraw/zinc/09/74/76/750097476.db2.gz YANSMKSUPQNZNP-OAGGEKHMSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001077159080 750235741 /nfs/dbraw/zinc/23/57/41/750235741.db2.gz NINSRYBKPKCVNL-OWCLPIDISA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001077159080 750235743 /nfs/dbraw/zinc/23/57/43/750235743.db2.gz NINSRYBKPKCVNL-OWCLPIDISA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@H]1O ZINC001077159080 750235747 /nfs/dbraw/zinc/23/57/47/750235747.db2.gz NINSRYBKPKCVNL-OWCLPIDISA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@H]1O ZINC001077159080 750235752 /nfs/dbraw/zinc/23/57/52/750235752.db2.gz NINSRYBKPKCVNL-OWCLPIDISA-N 2 2 305.422 0.045 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583403 750414797 /nfs/dbraw/zinc/41/47/97/750414797.db2.gz FPUYDMKUGYJJIE-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583403 750414800 /nfs/dbraw/zinc/41/48/00/750414800.db2.gz FPUYDMKUGYJJIE-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439260 754283365 /nfs/dbraw/zinc/28/33/65/754283365.db2.gz BOOSBYMAHRWZMK-HOTGVXAUSA-N 2 2 312.373 0.393 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001047439260 754283369 /nfs/dbraw/zinc/28/33/69/754283369.db2.gz BOOSBYMAHRWZMK-HOTGVXAUSA-N 2 2 312.373 0.393 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047551884 754383089 /nfs/dbraw/zinc/38/30/89/754383089.db2.gz WMLLEFGTAAZJFW-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090355476 755666612 /nfs/dbraw/zinc/66/66/12/755666612.db2.gz PLRUFKLUDYTWIN-HUUCEWRRSA-N 2 2 318.421 0.501 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090355476 755666613 /nfs/dbraw/zinc/66/66/13/755666613.db2.gz PLRUFKLUDYTWIN-HUUCEWRRSA-N 2 2 318.421 0.501 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090359796 755687578 /nfs/dbraw/zinc/68/75/78/755687578.db2.gz FSLCBKQDVLEASY-GOEBONIOSA-N 2 2 312.373 0.751 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090359796 755687583 /nfs/dbraw/zinc/68/75/83/755687583.db2.gz FSLCBKQDVLEASY-GOEBONIOSA-N 2 2 312.373 0.751 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990621 756063910 /nfs/dbraw/zinc/06/39/10/756063910.db2.gz JKQNRLVLVKFZBG-QLFBSQMISA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990621 756063915 /nfs/dbraw/zinc/06/39/15/756063915.db2.gz JKQNRLVLVKFZBG-QLFBSQMISA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981796 756070497 /nfs/dbraw/zinc/07/04/97/756070497.db2.gz BXXNYLPHSNWVOJ-IJEWVQPXSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981796 756070500 /nfs/dbraw/zinc/07/05/00/756070500.db2.gz BXXNYLPHSNWVOJ-IJEWVQPXSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053832105 756229290 /nfs/dbraw/zinc/22/92/90/756229290.db2.gz AHWDYEMEMXBOJB-CVEARBPZSA-N 2 2 317.433 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001053832105 756229293 /nfs/dbraw/zinc/22/92/93/756229293.db2.gz AHWDYEMEMXBOJB-CVEARBPZSA-N 2 2 317.433 0.454 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053926173 756282280 /nfs/dbraw/zinc/28/22/80/756282280.db2.gz XUPGMDVAYLTOCK-CABCVRRESA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053926173 756282285 /nfs/dbraw/zinc/28/22/85/756282285.db2.gz XUPGMDVAYLTOCK-CABCVRRESA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100280771 756491434 /nfs/dbraw/zinc/49/14/34/756491434.db2.gz MKJISDXSKJPJIG-UHFFFAOYSA-N 2 2 319.409 0.129 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC=C)C[C@H]1OC ZINC001081811364 756818628 /nfs/dbraw/zinc/81/86/28/756818628.db2.gz UZAYYOPMZDKSCW-OWCLPIDISA-N 2 2 305.422 0.476 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC=C)C[C@H]1OC ZINC001081811364 756818633 /nfs/dbraw/zinc/81/86/33/756818633.db2.gz UZAYYOPMZDKSCW-OWCLPIDISA-N 2 2 305.422 0.476 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@H]1OC ZINC001081811364 756818641 /nfs/dbraw/zinc/81/86/41/756818641.db2.gz UZAYYOPMZDKSCW-OWCLPIDISA-N 2 2 305.422 0.476 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC=C)C[C@H]1OC ZINC001081811364 756818648 /nfs/dbraw/zinc/81/86/48/756818648.db2.gz UZAYYOPMZDKSCW-OWCLPIDISA-N 2 2 305.422 0.476 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106683 757497960 /nfs/dbraw/zinc/49/79/60/757497960.db2.gz PYEQJBGSLRIJHM-JKSUJKDBSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106683 757497961 /nfs/dbraw/zinc/49/79/61/757497961.db2.gz PYEQJBGSLRIJHM-JKSUJKDBSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106683 757497965 /nfs/dbraw/zinc/49/79/65/757497965.db2.gz PYEQJBGSLRIJHM-JKSUJKDBSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C1 ZINC001083106683 757497967 /nfs/dbraw/zinc/49/79/67/757497967.db2.gz PYEQJBGSLRIJHM-JKSUJKDBSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084612908 757931686 /nfs/dbraw/zinc/93/16/86/757931686.db2.gz SUCSGSNAXFSLNJ-HLLBOEOZSA-N 2 2 312.417 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084612908 757931694 /nfs/dbraw/zinc/93/16/94/757931694.db2.gz SUCSGSNAXFSLNJ-HLLBOEOZSA-N 2 2 312.417 0.920 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 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LREMCNVDZVUILX-INIZCTEOSA-N 2 2 317.437 0.747 20 30 DCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001147900512 767879253 /nfs/dbraw/zinc/87/92/53/767879253.db2.gz PBGDVKMAOXAQOT-UHFFFAOYSA-N 2 2 315.352 0.879 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139461 761668395 /nfs/dbraw/zinc/66/83/95/761668395.db2.gz RASKPXXCTQEPIW-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139461 761668399 /nfs/dbraw/zinc/66/83/99/761668399.db2.gz RASKPXXCTQEPIW-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034199 763240171 /nfs/dbraw/zinc/24/01/71/763240171.db2.gz PDMYBHVFJXRYMM-HOTGVXAUSA-N 2 2 318.421 0.546 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034199 763240180 /nfs/dbraw/zinc/24/01/80/763240180.db2.gz PDMYBHVFJXRYMM-HOTGVXAUSA-N 2 2 318.421 0.546 20 30 DCEDLP C=CCOCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551759 763649089 /nfs/dbraw/zinc/64/90/89/763649089.db2.gz RTCQMRWQKZIGDR-UHFFFAOYSA-N 2 2 306.410 0.960 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485861 764478694 /nfs/dbraw/zinc/47/86/94/764478694.db2.gz KUNMGEJQRQTFEM-HOCLYGCPSA-N 2 2 318.421 0.810 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485861 764478697 /nfs/dbraw/zinc/47/86/97/764478697.db2.gz KUNMGEJQRQTFEM-HOCLYGCPSA-N 2 2 318.421 0.810 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490258 764483815 /nfs/dbraw/zinc/48/38/15/764483815.db2.gz SHEMPNAWGDLGRA-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490258 764483823 /nfs/dbraw/zinc/48/38/23/764483823.db2.gz SHEMPNAWGDLGRA-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775129 766097588 /nfs/dbraw/zinc/09/75/88/766097588.db2.gz UGKHXSZWKIPNCH-NWDGAFQWSA-N 2 2 307.398 0.127 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]cc1C(=O)OC ZINC001171072670 766618600 /nfs/dbraw/zinc/61/86/00/766618600.db2.gz QRWFMROXLYSODI-ZDUSSCGKSA-N 2 2 321.377 0.929 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001091106706 766932788 /nfs/dbraw/zinc/93/27/88/766932788.db2.gz SRXSNZRRZCIMKV-MOKVOYLWSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001091106706 766932791 /nfs/dbraw/zinc/93/27/91/766932791.db2.gz SRXSNZRRZCIMKV-MOKVOYLWSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098355596 769105947 /nfs/dbraw/zinc/10/59/47/769105947.db2.gz WUOJCRFFJDDGKX-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098355596 769105951 /nfs/dbraw/zinc/10/59/51/769105951.db2.gz WUOJCRFFJDDGKX-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CC[NH+]1CCC(CCOC)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001151236796 769296795 /nfs/dbraw/zinc/29/67/95/769296795.db2.gz JVEDMNGCBRBRTJ-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2ncccn2)CC1 ZINC001152329917 769528725 /nfs/dbraw/zinc/52/87/25/769528725.db2.gz FEQLOWYPYAKCCI-CQSZACIVSA-N 2 2 315.421 0.589 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235333470 769816332 /nfs/dbraw/zinc/81/63/32/769816332.db2.gz CZUVVFBEWPHZSD-CVEARBPZSA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235333470 769816344 /nfs/dbraw/zinc/81/63/44/769816344.db2.gz CZUVVFBEWPHZSD-CVEARBPZSA-N 2 2 307.438 0.509 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157338 770362405 /nfs/dbraw/zinc/36/24/05/770362405.db2.gz QXIIAOZMVOFCMG-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157338 770362415 /nfs/dbraw/zinc/36/24/15/770362415.db2.gz QXIIAOZMVOFCMG-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157338 770362426 /nfs/dbraw/zinc/36/24/26/770362426.db2.gz QXIIAOZMVOFCMG-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157338 770362436 /nfs/dbraw/zinc/36/24/36/770362436.db2.gz QXIIAOZMVOFCMG-HZPDHXFCSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471995 771780021 /nfs/dbraw/zinc/78/00/21/771780021.db2.gz QTFAILDTNFNGIN-OAHLLOKOSA-N 2 2 303.410 0.909 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471995 771780024 /nfs/dbraw/zinc/78/00/24/771780024.db2.gz QTFAILDTNFNGIN-OAHLLOKOSA-N 2 2 303.410 0.909 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160983840 772146286 /nfs/dbraw/zinc/14/62/86/772146286.db2.gz APFJNCDUPSYWHC-UHFFFAOYSA-N 2 2 315.377 0.575 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001188187720 772275831 /nfs/dbraw/zinc/27/58/31/772275831.db2.gz LTBOOXUCFDYSGN-CVEARBPZSA-N 2 2 300.406 0.898 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188315564 772287169 /nfs/dbraw/zinc/28/71/69/772287169.db2.gz ZEEYCIIRZGCMBW-RRFJBIMHSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188315564 772287174 /nfs/dbraw/zinc/28/71/74/772287174.db2.gz ZEEYCIIRZGCMBW-RRFJBIMHSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163051064 772451400 /nfs/dbraw/zinc/45/14/00/772451400.db2.gz RQZUBSNYQDUAKV-CYBMUJFWSA-N 2 2 321.425 0.139 20 30 DCEDLP C#CCC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001203807652 772925021 /nfs/dbraw/zinc/92/50/21/772925021.db2.gz YGPMKVXQNLJTPW-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 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/nfs/dbraw/zinc/50/36/96/773503696.db2.gz DWZOCBQGJGWFIP-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208590171 773503701 /nfs/dbraw/zinc/50/37/01/773503701.db2.gz DWZOCBQGJGWFIP-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208590171 773503705 /nfs/dbraw/zinc/50/37/05/773503705.db2.gz DWZOCBQGJGWFIP-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049854 773671294 /nfs/dbraw/zinc/67/12/94/773671294.db2.gz AIKNMMLAFDCAGW-HUUCEWRRSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049854 773671296 /nfs/dbraw/zinc/67/12/96/773671296.db2.gz AIKNMMLAFDCAGW-HUUCEWRRSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001197150498 773705059 /nfs/dbraw/zinc/70/50/59/773705059.db2.gz PXWZCJWBACGRGJ-HNNXBMFYSA-N 2 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ZINC001223043346 775456821 /nfs/dbraw/zinc/45/68/21/775456821.db2.gz MQGPKZWOAUINFV-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408073 775844633 /nfs/dbraw/zinc/84/46/33/775844633.db2.gz HNIRVVSZUVCEBL-OAGGEKHMSA-N 2 2 316.405 0.563 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408073 775844638 /nfs/dbraw/zinc/84/46/38/775844638.db2.gz HNIRVVSZUVCEBL-OAGGEKHMSA-N 2 2 316.405 0.563 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001317597004 945098475 /nfs/dbraw/zinc/09/84/75/945098475.db2.gz PUKLHKPMOJWAIM-ZDUSSCGKSA-N 2 2 305.382 0.024 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C)o1 ZINC001317597004 945098481 /nfs/dbraw/zinc/09/84/81/945098481.db2.gz PUKLHKPMOJWAIM-ZDUSSCGKSA-N 2 2 305.382 0.024 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266290611 939052974 /nfs/dbraw/zinc/05/29/74/939052974.db2.gz FXQMCRNHDXXNAO-CQSZACIVSA-N 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DCEDLP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268694120 940333969 /nfs/dbraw/zinc/33/39/69/940333969.db2.gz VKHDNEGRRQSENG-UONOGXRCSA-N 2 2 306.410 0.742 20 30 DCEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083612 940613418 /nfs/dbraw/zinc/61/34/18/940613418.db2.gz FWNBICXYIAIGCW-CABCVRRESA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269138187 940629162 /nfs/dbraw/zinc/62/91/62/940629162.db2.gz APAIBVHTCUNQLI-HIFRSBDPSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269138187 940629163 /nfs/dbraw/zinc/62/91/63/940629163.db2.gz APAIBVHTCUNQLI-HIFRSBDPSA-N 2 2 310.442 0.065 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001270443730 940902052 /nfs/dbraw/zinc/90/20/52/940902052.db2.gz WFDFLHWWSWMDGG-INIZCTEOSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482301349 940938179 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318.421 0.676 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001271616071 941412736 /nfs/dbraw/zinc/41/27/36/941412736.db2.gz HZYOQQJCUZPAHO-GJZGRUSLSA-N 2 2 318.421 0.676 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001272599571 942859780 /nfs/dbraw/zinc/85/97/80/942859780.db2.gz VMNMXQLXPBMBKD-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254026 943257021 /nfs/dbraw/zinc/25/70/21/943257021.db2.gz DNKKNZOSCOXOCN-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254026 943257024 /nfs/dbraw/zinc/25/70/24/943257024.db2.gz DNKKNZOSCOXOCN-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485828450 944214388 /nfs/dbraw/zinc/21/43/88/944214388.db2.gz VHSIFBCMOZTDMY-RBSFLKMASA-N 2 2 300.406 0.983 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001486093397 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2 306.410 0.651 20 30 DCEDLP C=CC[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200055 947599155 /nfs/dbraw/zinc/59/91/55/947599155.db2.gz IWXTWWBDTAVQHM-KBPBESRZSA-N 2 2 306.410 0.651 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001327570023 948556279 /nfs/dbraw/zinc/55/62/79/948556279.db2.gz TWNJJZBLLMBYRU-IOASZLSFSA-N 2 2 302.378 0.090 20 30 DCEDLP C=CC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC001327646055 948582029 /nfs/dbraw/zinc/58/20/29/948582029.db2.gz UADLUPUPFIFPDQ-AWEZNQCLSA-N 2 2 318.421 0.887 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001273893568 948665116 /nfs/dbraw/zinc/66/51/16/948665116.db2.gz HXVBODYJVDCQEA-KRWDZBQOSA-N 2 2 312.373 0.524 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265593159 949800334 /nfs/dbraw/zinc/80/03/34/949800334.db2.gz QNPXZKOKTFLGGN-CQSZACIVSA-N 2 2 304.394 0.430 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265593159 949800358 /nfs/dbraw/zinc/80/03/58/949800358.db2.gz QNPXZKOKTFLGGN-CQSZACIVSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnon2)CC1 ZINC001265870324 950067136 /nfs/dbraw/zinc/06/71/36/950067136.db2.gz NMSHAHXYSVBYBE-LBPRGKRZSA-N 2 2 305.382 0.009 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001490264079 950524704 /nfs/dbraw/zinc/52/47/04/950524704.db2.gz KSUUFEHFIZIXMH-CYBMUJFWSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001490264079 950524721 /nfs/dbraw/zinc/52/47/21/950524721.db2.gz KSUUFEHFIZIXMH-CYBMUJFWSA-N 2 2 319.409 0.177 20 30 DCEDLP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001330621983 950554175 /nfs/dbraw/zinc/55/41/75/950554175.db2.gz NBKFQDIKOGIAQC-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001281185598 951357944 /nfs/dbraw/zinc/35/79/44/951357944.db2.gz WKZWYRUGRDIOJW-KRWDZBQOSA-N 2 2 318.421 0.654 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332646066 951742448 /nfs/dbraw/zinc/74/24/48/951742448.db2.gz GRFWHQYZGIKMAG-HNNXBMFYSA-N 2 2 320.437 0.701 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332646066 951742455 /nfs/dbraw/zinc/74/24/55/951742455.db2.gz GRFWHQYZGIKMAG-HNNXBMFYSA-N 2 2 320.437 0.701 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001275295676 952050209 /nfs/dbraw/zinc/05/02/09/952050209.db2.gz UQAVVQZIBHDHHY-WLYUNCDWSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001275295676 952050217 /nfs/dbraw/zinc/05/02/17/952050217.db2.gz UQAVVQZIBHDHHY-WLYUNCDWSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275579946 952284943 /nfs/dbraw/zinc/28/49/43/952284943.db2.gz HYTMTHKOAJLITE-GJZGRUSLSA-N 2 2 306.410 0.796 20 30 DCEDLP COCC#CC[N@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001284937035 955332857 /nfs/dbraw/zinc/33/28/57/955332857.db2.gz OLGUNAFXALYPIA-UHFFFAOYSA-N 2 2 316.405 0.590 20 30 DCEDLP COCC#CC[N@@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001284937035 955332870 /nfs/dbraw/zinc/33/28/70/955332870.db2.gz OLGUNAFXALYPIA-UHFFFAOYSA-N 2 2 316.405 0.590 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001369482748 965053410 /nfs/dbraw/zinc/05/34/10/965053410.db2.gz WEIMVFIDHNNNKF-NSHDSACASA-N 2 2 314.817 0.849 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001376044572 965130652 /nfs/dbraw/zinc/13/06/52/965130652.db2.gz PNKYMWKWBZXUMG-OAHLLOKOSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001376044572 965130658 /nfs/dbraw/zinc/13/06/58/965130658.db2.gz PNKYMWKWBZXUMG-OAHLLOKOSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376044572 965130667 /nfs/dbraw/zinc/13/06/67/965130667.db2.gz PNKYMWKWBZXUMG-OAHLLOKOSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001376044572 965130671 /nfs/dbraw/zinc/13/06/71/965130671.db2.gz PNKYMWKWBZXUMG-OAHLLOKOSA-N 2 2 315.845 0.776 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001392405357 991882425 /nfs/dbraw/zinc/88/24/25/991882425.db2.gz KJRGEKVXZPHUGR-HNNXBMFYSA-N 2 2 313.361 0.091 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001394604192 993897115 /nfs/dbraw/zinc/89/71/15/993897115.db2.gz ASPRVNJNPYBEJZ-NSHDSACASA-N 2 2 308.769 0.996 20 30 DCEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001473590208 1016949012 /nfs/dbraw/zinc/94/90/12/1016949012.db2.gz QVFSDJBWLSTJKQ-IRXDYDNUSA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001473590208 1016949019 /nfs/dbraw/zinc/94/90/19/1016949019.db2.gz QVFSDJBWLSTJKQ-IRXDYDNUSA-N 2 2 303.406 0.980 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]([NH3+])CC)CC1 ZINC001574707190 1163740285 /nfs/dbraw/zinc/74/02/85/1163740285.db2.gz OCLLPCQVTMVCDN-AWEZNQCLSA-N 2 2 304.442 0.894 20 30 DCEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC001521283811 1017346203 /nfs/dbraw/zinc/34/62/03/1017346203.db2.gz VRHVSFTYHZMVSV-UHFFFAOYSA-N 2 2 321.343 0.322 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001479557855 1017586838 /nfs/dbraw/zinc/58/68/38/1017586838.db2.gz IHFRZNMOZDUCGC-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001479557855 1017586844 /nfs/dbraw/zinc/58/68/44/1017586844.db2.gz IHFRZNMOZDUCGC-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001506845328 1017608124 /nfs/dbraw/zinc/60/81/24/1017608124.db2.gz RQKMQCQSUBNZBS-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCOCC)C1 ZINC001494271556 1020109916 /nfs/dbraw/zinc/10/99/16/1020109916.db2.gz BUBHWHPLUVVFNR-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCOCC)C1 ZINC001494271556 1020109912 /nfs/dbraw/zinc/10/99/12/1020109912.db2.gz BUBHWHPLUVVFNR-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOCC)C1 ZINC001494271556 1020109930 /nfs/dbraw/zinc/10/99/30/1020109930.db2.gz BUBHWHPLUVVFNR-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCOCC)C1 ZINC001494271556 1020109952 /nfs/dbraw/zinc/10/99/52/1020109952.db2.gz BUBHWHPLUVVFNR-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000272822017 210220616 /nfs/dbraw/zinc/22/06/16/210220616.db2.gz FHNXNVRTIQVIIT-UHFFFAOYSA-N 2 2 315.421 0.609 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC000272822017 210220621 /nfs/dbraw/zinc/22/06/21/210220621.db2.gz FHNXNVRTIQVIIT-UHFFFAOYSA-N 2 2 315.421 0.609 20 30 DCEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N(CCC#N)CCC#N ZINC000269182058 529898982 /nfs/dbraw/zinc/89/89/82/529898982.db2.gz HTDVQLZOCUXIFJ-UHFFFAOYSA-N 2 2 302.382 0.861 20 30 DCEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(CCC#N)CCC#N ZINC000269182058 529898983 /nfs/dbraw/zinc/89/89/83/529898983.db2.gz HTDVQLZOCUXIFJ-UHFFFAOYSA-N 2 2 302.382 0.861 20 30 DCEDLP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCOCC1 ZINC000264109115 238191371 /nfs/dbraw/zinc/19/13/71/238191371.db2.gz OHBDSLVHFCBCQD-MRXNPFEDSA-N 2 2 318.421 0.534 20 30 DCEDLP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCOCC1 ZINC000264109115 238191373 /nfs/dbraw/zinc/19/13/73/238191373.db2.gz OHBDSLVHFCBCQD-MRXNPFEDSA-N 2 2 318.421 0.534 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000491374118 241121886 /nfs/dbraw/zinc/12/18/86/241121886.db2.gz PXNFSCYCAVATKE-NTDBWNAOSA-N 2 2 313.445 0.908 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000491374118 241121877 /nfs/dbraw/zinc/12/18/77/241121877.db2.gz PXNFSCYCAVATKE-NTDBWNAOSA-N 2 2 313.445 0.908 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073228441 396144163 /nfs/dbraw/zinc/14/41/63/396144163.db2.gz LNCJQEDNXQMAOH-UHFFFAOYSA-N 2 2 319.449 0.799 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(OC)c2)CC1 ZINC000081644344 396305836 /nfs/dbraw/zinc/30/58/36/396305836.db2.gz XRVPZNCHCZCNST-UHFFFAOYSA-N 2 2 315.417 0.904 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(OC)c2)CC1 ZINC000081644344 396305840 /nfs/dbraw/zinc/30/58/40/396305840.db2.gz XRVPZNCHCZCNST-UHFFFAOYSA-N 2 2 315.417 0.904 20 30 DCEDLP C[N@@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000562765888 396678584 /nfs/dbraw/zinc/67/85/84/396678584.db2.gz UEGXSXAVHDRLEN-SNVBAGLBSA-N 2 2 308.773 0.713 20 30 DCEDLP C[N@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000562765888 396678587 /nfs/dbraw/zinc/67/85/87/396678587.db2.gz UEGXSXAVHDRLEN-SNVBAGLBSA-N 2 2 308.773 0.713 20 30 DCEDLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223552 397148294 /nfs/dbraw/zinc/14/82/94/397148294.db2.gz HOAWBFCOOGOVPE-IUODEOHRSA-N 2 2 301.394 0.904 20 30 DCEDLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223552 397148297 /nfs/dbraw/zinc/14/82/97/397148297.db2.gz HOAWBFCOOGOVPE-IUODEOHRSA-N 2 2 301.394 0.904 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000573667965 397193214 /nfs/dbraw/zinc/19/32/14/397193214.db2.gz GSYZKIVBKJPBQR-HNNXBMFYSA-N 2 2 301.394 0.385 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000573667965 397193218 /nfs/dbraw/zinc/19/32/18/397193218.db2.gz GSYZKIVBKJPBQR-HNNXBMFYSA-N 2 2 301.394 0.385 20 30 DCEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@](O)(CC#N)C3)cn2)CC1 ZINC000592523387 397201854 /nfs/dbraw/zinc/20/18/54/397201854.db2.gz ZKPXGBVIWQJMEE-MRXNPFEDSA-N 2 2 316.409 0.079 20 30 DCEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@](O)(CC#N)C3)cn2)CC1 ZINC000592523387 397201860 /nfs/dbraw/zinc/20/18/60/397201860.db2.gz ZKPXGBVIWQJMEE-MRXNPFEDSA-N 2 2 316.409 0.079 20 30 DCEDLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590382 397252688 /nfs/dbraw/zinc/25/26/88/397252688.db2.gz XHGJUTNURCGSOF-CQSZACIVSA-N 2 2 305.426 0.838 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754415 415682189 /nfs/dbraw/zinc/68/21/89/415682189.db2.gz XAUDSVVCCPGVHQ-JKSUJKDBSA-N 2 2 306.454 0.226 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754415 415682193 /nfs/dbraw/zinc/68/21/93/415682193.db2.gz XAUDSVVCCPGVHQ-JKSUJKDBSA-N 2 2 306.454 0.226 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1=O ZINC000337201926 415926017 /nfs/dbraw/zinc/92/60/17/415926017.db2.gz DNCLDRKCYRMLQM-GJZGRUSLSA-N 2 2 322.453 0.258 20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1=O ZINC000337201926 415926022 /nfs/dbraw/zinc/92/60/22/415926022.db2.gz DNCLDRKCYRMLQM-GJZGRUSLSA-N 2 2 322.453 0.258 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000153882981 415987737 /nfs/dbraw/zinc/98/77/37/415987737.db2.gz AIJFPNFMCQXELQ-QGZVFWFLSA-N 2 2 312.417 0.996 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000153882981 415987741 /nfs/dbraw/zinc/98/77/41/415987741.db2.gz AIJFPNFMCQXELQ-QGZVFWFLSA-N 2 2 312.417 0.996 20 30 DCEDLP C[C@](O)(CNC(=O)c1ccc2c[nH+]cn2c1)C[NH+]1CCOCC1 ZINC000328797800 416133276 /nfs/dbraw/zinc/13/32/76/416133276.db2.gz FLSQKSOVFIOSGT-INIZCTEOSA-N 2 2 318.377 0.722 20 30 DCEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2CO)CC1 ZINC000329651167 416182232 /nfs/dbraw/zinc/18/22/32/416182232.db2.gz KTPNQFHGCLGQAQ-CYBMUJFWSA-N 2 2 301.456 0.837 20 30 DCEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2CO)CC1 ZINC000329651167 416182236 /nfs/dbraw/zinc/18/22/36/416182236.db2.gz KTPNQFHGCLGQAQ-CYBMUJFWSA-N 2 2 301.456 0.837 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000329735391 416187601 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0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC)C[NH+]2CCOCC2)C1 ZINC000924034930 661390229 /nfs/dbraw/zinc/39/02/29/661390229.db2.gz GFDHOCNKCWLAKW-JKSUJKDBSA-N 2 2 322.453 0.494 20 30 DCEDLP C[NH+]=C(NC[C@@H]1COCCO1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262022601 661965142 /nfs/dbraw/zinc/96/51/42/661965142.db2.gz ZCSHTOIPJDJZTN-ZNMIVQPWSA-N 2 2 321.425 0.757 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032785022 665823822 /nfs/dbraw/zinc/82/38/22/665823822.db2.gz SVTKONGWMXBHLW-PMPSAXMXSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032785022 665823824 /nfs/dbraw/zinc/82/38/24/665823824.db2.gz SVTKONGWMXBHLW-PMPSAXMXSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000986294388 662580753 /nfs/dbraw/zinc/58/07/53/662580753.db2.gz LWWHTNBDROYDFD-DZGCQCFKSA-N 2 2 300.406 0.974 20 30 DCEDLP C=CCC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941586102 666025752 /nfs/dbraw/zinc/02/57/52/666025752.db2.gz SWVLXOBDJWXRDV-UHFFFAOYSA-N 2 2 303.410 0.357 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362836 667003461 /nfs/dbraw/zinc/00/34/61/667003461.db2.gz IZITTWNUFRBIQW-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362836 667003466 /nfs/dbraw/zinc/00/34/66/667003466.db2.gz IZITTWNUFRBIQW-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362836 667003470 /nfs/dbraw/zinc/00/34/70/667003470.db2.gz IZITTWNUFRBIQW-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362836 667003474 /nfs/dbraw/zinc/00/34/74/667003474.db2.gz IZITTWNUFRBIQW-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001035421989 667329051 /nfs/dbraw/zinc/32/90/51/667329051.db2.gz 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20 30 DCEDLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877018596 668552719 /nfs/dbraw/zinc/55/27/19/668552719.db2.gz YNGBJJUHHYQFPI-UHFFFAOYSA-N 2 2 321.812 0.860 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000948825394 670188111 /nfs/dbraw/zinc/18/81/11/670188111.db2.gz CSJQNFYUUKYYRZ-IRXDYDNUSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036883012 670261595 /nfs/dbraw/zinc/26/15/95/670261595.db2.gz VRAORZBJNXFNRL-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036883012 670261596 /nfs/dbraw/zinc/26/15/96/670261596.db2.gz VRAORZBJNXFNRL-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000949253737 670296843 /nfs/dbraw/zinc/29/68/43/670296843.db2.gz MZFVQSATAQYMLS-UHFFFAOYSA-N 2 2 304.394 0.763 20 30 DCEDLP C#CCNC(=S)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817566879 670924993 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C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001498299159 1018917585 /nfs/dbraw/zinc/91/75/85/1018917585.db2.gz KAEOMRHIWWQKSJ-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001498299159 1018917600 /nfs/dbraw/zinc/91/76/00/1018917600.db2.gz KAEOMRHIWWQKSJ-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001498299159 1018917614 /nfs/dbraw/zinc/91/76/14/1018917614.db2.gz KAEOMRHIWWQKSJ-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001498299159 1018917626 /nfs/dbraw/zinc/91/76/26/1018917626.db2.gz KAEOMRHIWWQKSJ-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001502062488 1019674411 /nfs/dbraw/zinc/67/44/11/1019674411.db2.gz PIIUPHLAEQVBRL-GOEBONIOSA-N 2 2 316.405 0.286 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000178298850 198844542 /nfs/dbraw/zinc/84/45/42/198844542.db2.gz NPUOQMVJFGERPR-INIZCTEOSA-N 2 2 316.405 0.297 20 30 DCEDLP CN(C)C(=[NH+]C[C@]1([NH+]2CCOCC2)CCSC1)N(C)C ZINC000261990909 238169958 /nfs/dbraw/zinc/16/99/58/238169958.db2.gz LXQMCCOBAOZHKM-CQSZACIVSA-N 2 2 300.472 0.674 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(CCC)CC[NH+]2CCCC2)CC1 ZINC000491210473 241109268 /nfs/dbraw/zinc/10/92/68/241109268.db2.gz VAOMKJPVGCHBJK-UHFFFAOYSA-N 2 2 320.481 0.572 20 30 DCEDLP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595978006 396702096 /nfs/dbraw/zinc/70/20/96/396702096.db2.gz RPMXPKWSYYDYKU-HOTGVXAUSA-N 3 2 321.469 0.634 20 30 DCEDLP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595978006 396702099 /nfs/dbraw/zinc/70/20/99/396702099.db2.gz RPMXPKWSYYDYKU-HOTGVXAUSA-N 3 2 321.469 0.634 20 30 DCEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC1(C#N)CCC1 ZINC000596046752 396711500 /nfs/dbraw/zinc/71/15/00/396711500.db2.gz LZIXXNBBPSIHEG-UKRRQHHQSA-N 2 2 320.437 0.780 20 30 DCEDLP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000321668653 396817955 /nfs/dbraw/zinc/81/79/55/396817955.db2.gz UDGHOPPYPPQQKY-INIZCTEOSA-N 2 2 319.405 0.610 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000611031888 396810273 /nfs/dbraw/zinc/81/02/73/396810273.db2.gz XCFFERHXNDVIBK-CYBMUJFWSA-N 2 2 301.394 0.785 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C#N)[nH]3)C2)CC1 ZINC000611031888 396810277 /nfs/dbraw/zinc/81/02/77/396810277.db2.gz XCFFERHXNDVIBK-CYBMUJFWSA-N 2 2 301.394 0.785 20 30 DCEDLP CN(c1ccc(C#N)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611571854 396889368 /nfs/dbraw/zinc/88/93/68/396889368.db2.gz UKPPKTWDGQXUCR-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1ccc(C#N)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611571854 396889375 /nfs/dbraw/zinc/88/93/75/396889375.db2.gz UKPPKTWDGQXUCR-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP C[C@H](C#N)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862801 397338550 /nfs/dbraw/zinc/33/85/50/397338550.db2.gz WBWYNYXPOHUWGO-UKRRQHHQSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@H](C#N)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862801 397338551 /nfs/dbraw/zinc/33/85/51/397338551.db2.gz WBWYNYXPOHUWGO-UKRRQHHQSA-N 2 2 307.442 0.956 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442652 397552941 /nfs/dbraw/zinc/55/29/41/397552941.db2.gz HFKFTOIUZKBLHQ-ZIAGYGMSSA-N 2 2 324.425 0.493 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442652 397552943 /nfs/dbraw/zinc/55/29/43/397552943.db2.gz HFKFTOIUZKBLHQ-ZIAGYGMSSA-N 2 2 324.425 0.493 20 30 DCEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858250 415414581 /nfs/dbraw/zinc/41/45/81/415414581.db2.gz FXBILVQZCKIELU-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858250 415414588 /nfs/dbraw/zinc/41/45/88/415414588.db2.gz FXBILVQZCKIELU-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858250 415414596 /nfs/dbraw/zinc/41/45/96/415414596.db2.gz FXBILVQZCKIELU-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858250 415414601 /nfs/dbraw/zinc/41/46/01/415414601.db2.gz FXBILVQZCKIELU-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2ccccn2)CC1 ZINC000073470032 415417501 /nfs/dbraw/zinc/41/75/01/415417501.db2.gz MFBCTAQETFLNTE-UHFFFAOYSA-N 2 2 313.409 0.676 20 30 DCEDLP C[N@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000083218505 415488585 /nfs/dbraw/zinc/48/85/85/415488585.db2.gz NPOHZACWXJCTMX-UHFFFAOYSA-N 2 2 301.394 0.966 20 30 DCEDLP C[N@@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000083218505 415488589 /nfs/dbraw/zinc/48/85/89/415488589.db2.gz NPOHZACWXJCTMX-UHFFFAOYSA-N 2 2 301.394 0.966 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919882 415957429 /nfs/dbraw/zinc/95/74/29/415957429.db2.gz PJAHYFSSDRXORC-HIFRSBDPSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134919882 415957433 /nfs/dbraw/zinc/95/74/33/415957433.db2.gz PJAHYFSSDRXORC-HIFRSBDPSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134919882 415957438 /nfs/dbraw/zinc/95/74/38/415957438.db2.gz PJAHYFSSDRXORC-HIFRSBDPSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134919882 415957441 /nfs/dbraw/zinc/95/74/41/415957441.db2.gz PJAHYFSSDRXORC-HIFRSBDPSA-N 2 2 320.437 0.947 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299401458 416061133 /nfs/dbraw/zinc/06/11/33/416061133.db2.gz SFLFROOMSUHRAG-UHFFFAOYSA-N 2 2 313.361 0.344 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000299401458 416061136 /nfs/dbraw/zinc/06/11/36/416061136.db2.gz SFLFROOMSUHRAG-UHFFFAOYSA-N 2 2 313.361 0.344 20 30 DCEDLP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)C2)CC1 ZINC000329202313 416156480 /nfs/dbraw/zinc/15/64/80/416156480.db2.gz YBCCGVLWAKCYPQ-OAHLLOKOSA-N 2 2 320.441 0.509 20 30 DCEDLP COCC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000330709450 416233639 /nfs/dbraw/zinc/23/36/39/416233639.db2.gz SBACQIMUPMKMQC-UHFFFAOYSA-N 2 2 309.414 0.877 20 30 DCEDLP CC(C)CNC(=O)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330516662 416213057 /nfs/dbraw/zinc/21/30/57/416213057.db2.gz MBOPPXRBZHUVQW-UHFFFAOYSA-N 2 2 322.413 0.228 20 30 DCEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262451588 416336738 /nfs/dbraw/zinc/33/67/38/416336738.db2.gz JYQHVTWGIDPLLB-UKRRQHHQSA-N 2 2 320.441 0.115 20 30 DCEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262451588 416336739 /nfs/dbraw/zinc/33/67/39/416336739.db2.gz JYQHVTWGIDPLLB-UKRRQHHQSA-N 2 2 320.441 0.115 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000491440308 416599505 /nfs/dbraw/zinc/59/95/05/416599505.db2.gz OKZRDODOMJXZLS-CVEARBPZSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000491440308 416599507 /nfs/dbraw/zinc/59/95/07/416599507.db2.gz OKZRDODOMJXZLS-CVEARBPZSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000491440308 416599510 /nfs/dbraw/zinc/59/95/10/416599510.db2.gz OKZRDODOMJXZLS-CVEARBPZSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000491440308 416599513 /nfs/dbraw/zinc/59/95/13/416599513.db2.gz OKZRDODOMJXZLS-CVEARBPZSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H](C(C)C)C2)CC1 ZINC000490779197 416574732 /nfs/dbraw/zinc/57/47/32/416574732.db2.gz SHWKJNUTFMNLJD-OAHLLOKOSA-N 2 2 309.479 0.837 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H](C(C)C)C2)CC1 ZINC000490779197 416574737 /nfs/dbraw/zinc/57/47/37/416574737.db2.gz SHWKJNUTFMNLJD-OAHLLOKOSA-N 2 2 309.479 0.837 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000490951478 416580547 /nfs/dbraw/zinc/58/05/47/416580547.db2.gz YMFBRCOCOMCQOQ-SJORKVTESA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000491041235 416583997 /nfs/dbraw/zinc/58/39/97/416583997.db2.gz YGFIMBUADIYEMG-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000491707794 416616347 /nfs/dbraw/zinc/61/63/47/416616347.db2.gz NYKQXVJPLWSMLU-MRXNPFEDSA-N 2 2 306.454 0.036 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000491707794 416616352 /nfs/dbraw/zinc/61/63/52/416616352.db2.gz NYKQXVJPLWSMLU-MRXNPFEDSA-N 2 2 306.454 0.036 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000491733167 416620472 /nfs/dbraw/zinc/62/04/72/416620472.db2.gz BFSRUSDAKNFLRP-OAHLLOKOSA-N 2 2 307.463 0.591 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000491733167 416620475 /nfs/dbraw/zinc/62/04/75/416620475.db2.gz BFSRUSDAKNFLRP-OAHLLOKOSA-N 2 2 307.463 0.591 20 30 DCEDLP CN(CCC#N)C[C@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000564848321 416897878 /nfs/dbraw/zinc/89/78/78/416897878.db2.gz LQPLRFHLJXHFGX-ZIAGYGMSSA-N 2 2 300.472 0.220 20 30 DCEDLP C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261988146 277749593 /nfs/dbraw/zinc/74/95/93/277749593.db2.gz QPPVBYJUFKZPIJ-JSGCOSHPSA-N 2 2 318.425 0.620 20 30 DCEDLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424172512 337793418 /nfs/dbraw/zinc/79/34/18/337793418.db2.gz NADVGHSVGWFHMS-OLZOCXBDSA-N 2 2 310.398 0.103 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000491645718 339870848 /nfs/dbraw/zinc/87/08/48/339870848.db2.gz QFUCRBYRMUDFHS-PBHICJAKSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000305769676 340388498 /nfs/dbraw/zinc/38/84/98/340388498.db2.gz JHBRXRVVXIFRSJ-QGZVFWFLSA-N 2 2 315.417 0.477 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001700700660 1178712239 /nfs/dbraw/zinc/71/22/39/1178712239.db2.gz YHCNPOOIPUSGDO-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001700700660 1178712243 /nfs/dbraw/zinc/71/22/43/1178712243.db2.gz YHCNPOOIPUSGDO-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700700660 1178712246 /nfs/dbraw/zinc/71/22/46/1178712246.db2.gz YHCNPOOIPUSGDO-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001700700660 1178712249 /nfs/dbraw/zinc/71/22/49/1178712249.db2.gz YHCNPOOIPUSGDO-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1C#N ZINC000266214449 524070508 /nfs/dbraw/zinc/07/05/08/524070508.db2.gz PEFVVCWQLWVLFZ-HNNXBMFYSA-N 2 2 316.405 0.996 20 30 DCEDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1C#N ZINC000266214449 524070510 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312.417 0.750 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978379944 660527857 /nfs/dbraw/zinc/52/78/57/660527857.db2.gz ZQCVJPYAFAPKFF-ZQDZILKHSA-N 2 2 312.417 0.750 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)[C@@H]2C1 ZINC000978379944 660527859 /nfs/dbraw/zinc/52/78/59/660527859.db2.gz ZQCVJPYAFAPKFF-ZQDZILKHSA-N 2 2 312.417 0.750 20 30 DCEDLP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027983946 661016242 /nfs/dbraw/zinc/01/62/42/661016242.db2.gz GQAGHMOAJSDMGU-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027983946 661016243 /nfs/dbraw/zinc/01/62/43/661016243.db2.gz GQAGHMOAJSDMGU-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327646 661133130 /nfs/dbraw/zinc/13/31/30/661133130.db2.gz VCQDQNAOIBVTAY-MRXNPFEDSA-N 2 2 319.453 0.924 20 30 DCEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327646 661133133 /nfs/dbraw/zinc/13/31/33/661133133.db2.gz VCQDQNAOIBVTAY-MRXNPFEDSA-N 2 2 319.453 0.924 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834125 661228045 /nfs/dbraw/zinc/22/80/45/661228045.db2.gz RAJNZWKPBLWZSC-HNNXBMFYSA-N 2 2 300.406 0.921 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834125 661228046 /nfs/dbraw/zinc/22/80/46/661228046.db2.gz RAJNZWKPBLWZSC-HNNXBMFYSA-N 2 2 300.406 0.921 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC000998321619 665436840 /nfs/dbraw/zinc/43/68/40/665436840.db2.gz PMBPHWPXQDVJMG-VXGBXAGGSA-N 2 2 314.311 0.885 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001022220769 657567366 /nfs/dbraw/zinc/56/73/66/657567366.db2.gz OGKOGLHQCCIMHV-MJBXVCDLSA-N 2 2 317.393 0.212 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001022220769 657567371 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BWYCUPVSZMKRNO-RBSFLKMASA-N 2 2 320.437 0.851 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700966739 1178846203 /nfs/dbraw/zinc/84/62/03/1178846203.db2.gz BWYCUPVSZMKRNO-RBSFLKMASA-N 2 2 320.437 0.851 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001713148494 1180696682 /nfs/dbraw/zinc/69/66/82/1180696682.db2.gz ZGWXLGYAZXSOBR-GJZGRUSLSA-N 2 2 316.405 0.286 20 30 DCEDLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001714049037 1181225022 /nfs/dbraw/zinc/22/50/22/1181225022.db2.gz GGPYWUPJHWZBIS-OAHLLOKOSA-N 2 2 318.421 0.535 20 30 DCEDLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001714049037 1181225027 /nfs/dbraw/zinc/22/50/27/1181225027.db2.gz GGPYWUPJHWZBIS-OAHLLOKOSA-N 2 2 318.421 0.535 20 30 DCEDLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC#CCOC ZINC001714083352 1181237821 /nfs/dbraw/zinc/23/78/21/1181237821.db2.gz ZKVWDLCFOZNEJZ-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001714249909 1181295343 /nfs/dbraw/zinc/29/53/43/1181295343.db2.gz ZSKHWPLNWOWEKP-KGLIPLIRSA-N 2 2 304.394 0.190 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001714558639 1181415855 /nfs/dbraw/zinc/41/58/55/1181415855.db2.gz RXIABDXFWVXHNM-OAHLLOKOSA-N 2 2 318.421 0.452 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001714558639 1181415859 /nfs/dbraw/zinc/41/58/59/1181415859.db2.gz RXIABDXFWVXHNM-OAHLLOKOSA-N 2 2 318.421 0.452 20 30 DCEDLP C=CCOCC[NH+]1CC(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001714950269 1181614613 /nfs/dbraw/zinc/61/46/13/1181614613.db2.gz WYAIJXJRKGQEIJ-UHFFFAOYSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnon1)C(C)C ZINC001715489202 1181826186 /nfs/dbraw/zinc/82/61/86/1181826186.db2.gz FFQFTWAZZIAIHT-GJZGRUSLSA-N 2 2 319.409 0.398 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnon1)C(C)C ZINC001715489202 1181826188 /nfs/dbraw/zinc/82/61/88/1181826188.db2.gz FFQFTWAZZIAIHT-GJZGRUSLSA-N 2 2 319.409 0.398 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnn(C)c2)CC1 ZINC001716685390 1182496202 /nfs/dbraw/zinc/49/62/02/1182496202.db2.gz ZVLVOEUQEDHJME-HNNXBMFYSA-N 2 2 315.421 0.256 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnn(C)c2)CC1 ZINC001716685390 1182496206 /nfs/dbraw/zinc/49/62/06/1182496206.db2.gz ZVLVOEUQEDHJME-HNNXBMFYSA-N 2 2 315.421 0.256 20 30 DCEDLP C=CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001717266027 1182758323 /nfs/dbraw/zinc/75/83/23/1182758323.db2.gz LRINZJVSKWEPOD-AWEZNQCLSA-N 2 2 318.421 0.887 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001717284172 1182766421 /nfs/dbraw/zinc/76/64/21/1182766421.db2.gz QZQDXNVAXOBVPG-CABCVRRESA-N 2 2 318.421 0.439 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(CC)n2CC[N@H+](C)C(C)C)CC1 ZINC001722439020 1184225383 /nfs/dbraw/zinc/22/53/83/1184225383.db2.gz LAEWGBXFNBFKDG-UHFFFAOYSA-N 2 2 318.469 0.936 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(CC)n2CC[N@@H+](C)C(C)C)CC1 ZINC001722439020 1184225388 /nfs/dbraw/zinc/22/53/88/1184225388.db2.gz LAEWGBXFNBFKDG-UHFFFAOYSA-N 2 2 318.469 0.936 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCOC)CC1 ZINC001724057860 1184373800 /nfs/dbraw/zinc/37/38/00/1184373800.db2.gz AKLBEMRUBCZEKG-UHFFFAOYSA-N 2 2 304.394 0.525 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001724170529 1184394954 /nfs/dbraw/zinc/39/49/54/1184394954.db2.gz WFWNBJYHXGDKBI-YOEHRIQHSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001724170529 1184394958 /nfs/dbraw/zinc/39/49/58/1184394958.db2.gz WFWNBJYHXGDKBI-YOEHRIQHSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001724170529 1184394965 /nfs/dbraw/zinc/39/49/65/1184394965.db2.gz WFWNBJYHXGDKBI-YOEHRIQHSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001724170529 1184394969 /nfs/dbraw/zinc/39/49/69/1184394969.db2.gz WFWNBJYHXGDKBI-YOEHRIQHSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001724627470 1184479889 /nfs/dbraw/zinc/47/98/89/1184479889.db2.gz AWTMNPVAICYCLF-GASCZTMLSA-N 2 2 304.394 0.476 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001724627470 1184479893 /nfs/dbraw/zinc/47/98/93/1184479893.db2.gz AWTMNPVAICYCLF-GASCZTMLSA-N 2 2 304.394 0.476 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001724902293 1184611982 /nfs/dbraw/zinc/61/19/82/1184611982.db2.gz APKQVYNIHTZWNX-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP C=C(C)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001724984945 1184645233 /nfs/dbraw/zinc/64/52/33/1184645233.db2.gz CSEOOKNADWOACE-UHFFFAOYSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725169257 1184703760 /nfs/dbraw/zinc/70/37/60/1184703760.db2.gz JUUUUSGWRURCIT-JSGCOSHPSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725169257 1184703765 /nfs/dbraw/zinc/70/37/65/1184703765.db2.gz JUUUUSGWRURCIT-JSGCOSHPSA-N 2 2 321.425 0.319 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nonc1C ZINC001731729980 1185461330 /nfs/dbraw/zinc/46/13/30/1185461330.db2.gz WIPVBQWOZFWDNJ-DOMZBBRYSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nonc1C ZINC001731729980 1185461336 /nfs/dbraw/zinc/46/13/36/1185461336.db2.gz WIPVBQWOZFWDNJ-DOMZBBRYSA-N 2 2 319.409 0.460 20 30 DCEDLP C=CCOCC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001731775151 1185481189 /nfs/dbraw/zinc/48/11/89/1185481189.db2.gz IFGRZMADWQHRMB-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001731775151 1185481195 /nfs/dbraw/zinc/48/11/95/1185481195.db2.gz IFGRZMADWQHRMB-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCCC[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001732064890 1185655467 /nfs/dbraw/zinc/65/54/67/1185655467.db2.gz GBVOWDXLRJZWGX-UHFFFAOYSA-N 2 2 319.453 0.994 20 30 DCEDLP COCC#CC[NH2+]C[C@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001732243383 1185746382 /nfs/dbraw/zinc/74/63/82/1185746382.db2.gz BNKZVMRDDHJBDP-KRWDZBQOSA-N 2 2 318.421 0.798 20 30 DCEDLP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001733050357 1186118220 /nfs/dbraw/zinc/11/82/20/1186118220.db2.gz RFFVPBFIRPMNAX-HOCLYGCPSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001733050357 1186118224 /nfs/dbraw/zinc/11/82/24/1186118224.db2.gz RFFVPBFIRPMNAX-HOCLYGCPSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001733050357 1186118227 /nfs/dbraw/zinc/11/82/27/1186118227.db2.gz RFFVPBFIRPMNAX-HOCLYGCPSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001733050357 1186118231 /nfs/dbraw/zinc/11/82/31/1186118231.db2.gz RFFVPBFIRPMNAX-HOCLYGCPSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001733486877 1186296263 /nfs/dbraw/zinc/29/62/63/1186296263.db2.gz BYCCTEHXWHVXLM-MRXNPFEDSA-N 2 2 300.362 0.687 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001733486877 1186296269 /nfs/dbraw/zinc/29/62/69/1186296269.db2.gz BYCCTEHXWHVXLM-MRXNPFEDSA-N 2 2 300.362 0.687 20 30 DCEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001733620740 1186373771 /nfs/dbraw/zinc/37/37/71/1186373771.db2.gz RWEXELIYYCHECE-OAHLLOKOSA-N 2 2 320.437 0.822 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001733830892 1186466384 /nfs/dbraw/zinc/46/63/84/1186466384.db2.gz OWSPZLSPAAUANF-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001734183171 1186572018 /nfs/dbraw/zinc/57/20/18/1186572018.db2.gz NAFKSMVTWJYQLO-OLZOCXBDSA-N 2 2 304.394 0.526 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC2([NH+](C)C)CCC2)CC1 ZINC001740690942 1187955969 /nfs/dbraw/zinc/95/59/69/1187955969.db2.gz QUBBAQFPOBRVRN-UHFFFAOYSA-N 2 2 316.453 0.826 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001752471423 1188424569 /nfs/dbraw/zinc/42/45/69/1188424569.db2.gz OFERTUGOJOMESG-ZBFHGGJFSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001752895030 1188457492 /nfs/dbraw/zinc/45/74/92/1188457492.db2.gz NRRZYPFNOVVJCS-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001752895030 1188457495 /nfs/dbraw/zinc/45/74/95/1188457495.db2.gz NRRZYPFNOVVJCS-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2csnn2)CC1 ZINC001752920689 1188462109 /nfs/dbraw/zinc/46/21/09/1188462109.db2.gz DYRSYVVPYRDRKT-LBPRGKRZSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001752949909 1188466548 /nfs/dbraw/zinc/46/65/48/1188466548.db2.gz PYUYSRKKEPCBIK-DOTOQJQBSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001752949909 1188466549 /nfs/dbraw/zinc/46/65/49/1188466549.db2.gz PYUYSRKKEPCBIK-DOTOQJQBSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753235602 1188543864 /nfs/dbraw/zinc/54/38/64/1188543864.db2.gz HHURAOBQHXBGGK-KBPBESRZSA-N 2 2 319.409 0.020 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001753892865 1188673570 /nfs/dbraw/zinc/67/35/70/1188673570.db2.gz CZZPPZGXMJANLC-GXTWGEPZSA-N 2 2 319.409 0.129 20 30 DCEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC)[NH+](CC)CC ZINC001754493470 1188866962 /nfs/dbraw/zinc/86/69/62/1188866962.db2.gz BJIXRZYZCWAIFQ-HOTGVXAUSA-N 2 2 309.454 0.947 20 30 DCEDLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)[NH+](CC)CC ZINC001754493470 1188866963 /nfs/dbraw/zinc/86/69/63/1188866963.db2.gz BJIXRZYZCWAIFQ-HOTGVXAUSA-N 2 2 309.454 0.947 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001755113153 1189026445 /nfs/dbraw/zinc/02/64/45/1189026445.db2.gz DZFPOTUYGFDZMC-UONOGXRCSA-N 2 2 319.409 0.012 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001755793141 1189216840 /nfs/dbraw/zinc/21/68/40/1189216840.db2.gz OMFJSUQLJJDYRN-DZGCQCFKSA-N 2 2 306.410 0.431 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555358 751465482 /nfs/dbraw/zinc/46/54/82/751465482.db2.gz LGMYDRTVKAKVAM-IXDOHACOSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555358 751465486 /nfs/dbraw/zinc/46/54/86/751465486.db2.gz LGMYDRTVKAKVAM-IXDOHACOSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555358 751465491 /nfs/dbraw/zinc/46/54/91/751465491.db2.gz LGMYDRTVKAKVAM-IXDOHACOSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555358 751465498 /nfs/dbraw/zinc/46/54/98/751465498.db2.gz LGMYDRTVKAKVAM-IXDOHACOSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167508720 747346310 /nfs/dbraw/zinc/34/63/10/747346310.db2.gz JZJZWONQQNUHQF-UHFFFAOYSA-N 2 2 307.438 0.751 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083238740 747349127 /nfs/dbraw/zinc/34/91/27/747349127.db2.gz YHXDCGQUJFLWKS-DLBZAZTESA-N 2 2 319.449 0.652 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083238740 747349131 /nfs/dbraw/zinc/34/91/31/747349131.db2.gz YHXDCGQUJFLWKS-DLBZAZTESA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001105357419 748428764 /nfs/dbraw/zinc/42/87/64/748428764.db2.gz CDDWLCCBDPNDDL-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CC)C2)nn1 ZINC001105357419 748428768 /nfs/dbraw/zinc/42/87/68/748428768.db2.gz CDDWLCCBDPNDDL-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436487 748752196 /nfs/dbraw/zinc/75/21/96/748752196.db2.gz CEOBMWHCRUETTC-UHFFFAOYSA-N 2 2 321.425 0.473 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403551 749276120 /nfs/dbraw/zinc/27/61/20/749276120.db2.gz LDNHQSOJLGMLQW-PBHICJAKSA-N 2 2 316.405 0.382 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101403551 749276124 /nfs/dbraw/zinc/27/61/24/749276124.db2.gz LDNHQSOJLGMLQW-PBHICJAKSA-N 2 2 316.405 0.382 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949689 752584479 /nfs/dbraw/zinc/58/44/79/752584479.db2.gz PPTLXBFDAUFTFG-WMZOPIPTSA-N 2 2 319.449 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107949689 752584480 /nfs/dbraw/zinc/58/44/80/752584480.db2.gz PPTLXBFDAUFTFG-WMZOPIPTSA-N 2 2 319.449 0.559 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212352837 752645633 /nfs/dbraw/zinc/64/56/33/752645633.db2.gz BCWKRSWQVFRJJE-RRFJBIMHSA-N 2 2 313.417 0.505 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212352837 752645637 /nfs/dbraw/zinc/64/56/37/752645637.db2.gz BCWKRSWQVFRJJE-RRFJBIMHSA-N 2 2 313.417 0.505 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001077980410 752939870 /nfs/dbraw/zinc/93/98/70/752939870.db2.gz VKAORCMBZLSTOY-BZUAXINKSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980410 752939876 /nfs/dbraw/zinc/93/98/76/752939876.db2.gz VKAORCMBZLSTOY-BZUAXINKSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077980410 752939880 /nfs/dbraw/zinc/93/98/80/752939880.db2.gz VKAORCMBZLSTOY-BZUAXINKSA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047407483 754255010 /nfs/dbraw/zinc/25/50/10/754255010.db2.gz IGVRVRBBQOBTTB-KKUMJFAQSA-N 2 2 316.405 0.287 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047407483 754255012 /nfs/dbraw/zinc/25/50/12/754255012.db2.gz IGVRVRBBQOBTTB-KKUMJFAQSA-N 2 2 316.405 0.287 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900170 755005520 /nfs/dbraw/zinc/00/55/20/755005520.db2.gz YEIFCWRMVSUACP-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900170 755005523 /nfs/dbraw/zinc/00/55/23/755005523.db2.gz YEIFCWRMVSUACP-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOC ZINC001097247935 755631185 /nfs/dbraw/zinc/63/11/85/755631185.db2.gz NLFQZOPKUHPAAY-WCVJEAGWSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC ZINC001097247935 755631179 /nfs/dbraw/zinc/63/11/79/755631179.db2.gz NLFQZOPKUHPAAY-WCVJEAGWSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC ZINC001097247935 755631182 /nfs/dbraw/zinc/63/11/82/755631182.db2.gz NLFQZOPKUHPAAY-WCVJEAGWSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCOC ZINC001097247935 755631188 /nfs/dbraw/zinc/63/11/88/755631188.db2.gz NLFQZOPKUHPAAY-WCVJEAGWSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097708281 755713261 /nfs/dbraw/zinc/71/32/61/755713261.db2.gz ZBYABTLCXOKCGK-WCXIOVBPSA-N 2 2 319.449 0.840 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097708281 755713267 /nfs/dbraw/zinc/71/32/67/755713267.db2.gz ZBYABTLCXOKCGK-WCXIOVBPSA-N 2 2 319.449 0.840 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097708281 755713273 /nfs/dbraw/zinc/71/32/73/755713273.db2.gz ZBYABTLCXOKCGK-WCXIOVBPSA-N 2 2 319.449 0.840 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097708281 755713276 /nfs/dbraw/zinc/71/32/76/755713276.db2.gz ZBYABTLCXOKCGK-WCXIOVBPSA-N 2 2 319.449 0.840 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001053287021 755988957 /nfs/dbraw/zinc/98/89/57/755988957.db2.gz IVXDRHQOTOCYPN-UHFFFAOYSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429702 756041179 /nfs/dbraw/zinc/04/11/79/756041179.db2.gz UNLDEECTKTZNDO-HUUCEWRRSA-N 2 2 307.438 0.673 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429702 756041184 /nfs/dbraw/zinc/04/11/84/756041184.db2.gz UNLDEECTKTZNDO-HUUCEWRRSA-N 2 2 307.438 0.673 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C13CC[NH+](CC1)C3)O2 ZINC001053686773 756147307 /nfs/dbraw/zinc/14/73/07/756147307.db2.gz ZHCVWKAYKKRRBL-CQSZACIVSA-N 2 2 305.422 0.618 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053846503 756237004 /nfs/dbraw/zinc/23/70/04/756237004.db2.gz HIBRPTGRIMNDEX-HUUCEWRRSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053846503 756237009 /nfs/dbraw/zinc/23/70/09/756237009.db2.gz HIBRPTGRIMNDEX-HUUCEWRRSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053983713 756315385 /nfs/dbraw/zinc/31/53/85/756315385.db2.gz HNTGHDBFXNITBT-CQSZACIVSA-N 2 2 303.406 0.065 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H](OC)C1 ZINC001082385094 757092300 /nfs/dbraw/zinc/09/23/00/757092300.db2.gz XWJBMPWPGWVIBP-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082385094 757092313 /nfs/dbraw/zinc/09/23/13/757092313.db2.gz XWJBMPWPGWVIBP-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082385094 757092321 /nfs/dbraw/zinc/09/23/21/757092321.db2.gz XWJBMPWPGWVIBP-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082385094 757092330 /nfs/dbraw/zinc/09/23/30/757092330.db2.gz XWJBMPWPGWVIBP-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102460 757365847 /nfs/dbraw/zinc/36/58/47/757365847.db2.gz XHBWCKIBDYXVLV-LSDHHAIUSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001050102460 757365859 /nfs/dbraw/zinc/36/58/59/757365859.db2.gz XHBWCKIBDYXVLV-LSDHHAIUSA-N 2 2 300.406 0.909 20 30 DCEDLP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001083034774 757441489 /nfs/dbraw/zinc/44/14/89/757441489.db2.gz RQOIATPLKXWBAD-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001083034774 757441491 /nfs/dbraw/zinc/44/14/91/757441491.db2.gz RQOIATPLKXWBAD-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034774 757441495 /nfs/dbraw/zinc/44/14/95/757441495.db2.gz RQOIATPLKXWBAD-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001083034774 757441497 /nfs/dbraw/zinc/44/14/97/757441497.db2.gz RQOIATPLKXWBAD-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001083101686 757495003 /nfs/dbraw/zinc/49/50/03/757495003.db2.gz RCUXRZHGYDBIOT-LSDHHAIUSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001083101686 757495009 /nfs/dbraw/zinc/49/50/09/757495009.db2.gz RCUXRZHGYDBIOT-LSDHHAIUSA-N 2 2 304.394 0.830 20 30 DCEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001072579442 762584438 /nfs/dbraw/zinc/58/44/38/762584438.db2.gz YCYCVEHZHLXFHV-CYBMUJFWSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001072579442 762584443 /nfs/dbraw/zinc/58/44/43/762584443.db2.gz YCYCVEHZHLXFHV-CYBMUJFWSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579442 762584448 /nfs/dbraw/zinc/58/44/48/762584448.db2.gz YCYCVEHZHLXFHV-CYBMUJFWSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001072579442 762584452 /nfs/dbraw/zinc/58/44/52/762584452.db2.gz YCYCVEHZHLXFHV-CYBMUJFWSA-N 2 2 313.829 0.604 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094626 760245567 /nfs/dbraw/zinc/24/55/67/760245567.db2.gz PQQCMKNMQHQHRP-HOTGVXAUSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094626 760245575 /nfs/dbraw/zinc/24/55/75/760245575.db2.gz PQQCMKNMQHQHRP-HOTGVXAUSA-N 2 2 320.437 0.870 20 30 DCEDLP CCc1nc(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1Cl ZINC001169071180 760570745 /nfs/dbraw/zinc/57/07/45/760570745.db2.gz GKPMKEYJPDCLKL-MRVPVSSYSA-N 2 2 306.757 0.612 20 30 DCEDLP CN(C)/C=[NH+]/c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C#N ZINC001169073751 760573102 /nfs/dbraw/zinc/57/31/02/760573102.db2.gz BTURRDLUVYLKRB-AYPRBGQRSA-N 3 2 312.377 0.827 20 30 DCEDLP CO/N=C/c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc(F)c1F ZINC001169074983 760574255 /nfs/dbraw/zinc/57/42/55/760574255.db2.gz CXLKJVBEMJLQGO-YNHJEANRSA-N 2 2 310.304 0.993 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108799073 761053927 /nfs/dbraw/zinc/05/39/27/761053927.db2.gz LNOZOTFKUCWNOZ-KKUMJFAQSA-N 2 2 300.406 0.955 20 30 DCEDLP C=CCOCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672822 768031110 /nfs/dbraw/zinc/03/11/10/768031110.db2.gz MWVAVKFMAGJTIS-UHFFFAOYSA-N 2 2 318.421 0.998 20 30 DCEDLP C=CCOCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001148672822 768031114 /nfs/dbraw/zinc/03/11/14/768031114.db2.gz MWVAVKFMAGJTIS-UHFFFAOYSA-N 2 2 318.421 0.998 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070946198 761524123 /nfs/dbraw/zinc/52/41/23/761524123.db2.gz XGYFRJAVZSIHMW-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070946198 761524127 /nfs/dbraw/zinc/52/41/27/761524127.db2.gz XGYFRJAVZSIHMW-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946198 761524133 /nfs/dbraw/zinc/52/41/33/761524133.db2.gz XGYFRJAVZSIHMW-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001070946198 761524137 /nfs/dbraw/zinc/52/41/37/761524137.db2.gz XGYFRJAVZSIHMW-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929298 763135203 /nfs/dbraw/zinc/13/52/03/763135203.db2.gz WHBOUQUKCHZIDZ-GJZGRUSLSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929298 763135204 /nfs/dbraw/zinc/13/52/04/763135204.db2.gz WHBOUQUKCHZIDZ-GJZGRUSLSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939773 763145758 /nfs/dbraw/zinc/14/57/58/763145758.db2.gz LVTJCGORFJNCDO-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939773 763145768 /nfs/dbraw/zinc/14/57/68/763145768.db2.gz LVTJCGORFJNCDO-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710271 763739037 /nfs/dbraw/zinc/73/90/37/763739037.db2.gz KQCWHNWONALJKF-PNESKVBLSA-N 2 2 319.409 0.127 20 30 DCEDLP C=CCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613856 763892585 /nfs/dbraw/zinc/89/25/85/763892585.db2.gz PPSMHHWKWOHJAV-CABCVRRESA-N 2 2 311.426 0.148 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227409 765424697 /nfs/dbraw/zinc/42/46/97/765424697.db2.gz GQUDLMRYOQLIMB-KBPBESRZSA-N 2 2 306.410 0.865 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737489 765949994 /nfs/dbraw/zinc/94/99/94/765949994.db2.gz MALIYZIIYRPKLW-RRFJBIMHSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136055060 766225286 /nfs/dbraw/zinc/22/52/86/766225286.db2.gz MMQVXXKNMQWYEP-CABCVRRESA-N 2 2 320.437 0.875 20 30 DCEDLP C#CC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC001121912513 767664007 /nfs/dbraw/zinc/66/40/07/767664007.db2.gz VFTOCWWYVSGCOO-UHFFFAOYSA-N 2 2 315.417 0.952 20 30 DCEDLP C#CC[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC001121912513 767664010 /nfs/dbraw/zinc/66/40/10/767664010.db2.gz VFTOCWWYVSGCOO-UHFFFAOYSA-N 2 2 315.417 0.952 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC001094278428 768945709 /nfs/dbraw/zinc/94/57/09/768945709.db2.gz HAPUVFGTSDOVIM-OAHLLOKOSA-N 2 2 318.425 0.421 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278428 768945711 /nfs/dbraw/zinc/94/57/11/768945711.db2.gz HAPUVFGTSDOVIM-OAHLLOKOSA-N 2 2 318.425 0.421 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150652843 769151085 /nfs/dbraw/zinc/15/10/85/769151085.db2.gz FHKXODJLZRESPZ-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150652843 769151094 /nfs/dbraw/zinc/15/10/94/769151094.db2.gz FHKXODJLZRESPZ-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2=O)C1 ZINC001094713744 769170878 /nfs/dbraw/zinc/17/08/78/769170878.db2.gz HBMISGGAGPMXPP-HIFRSBDPSA-N 2 2 320.437 0.058 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2=O)C1 ZINC001094713744 769170879 /nfs/dbraw/zinc/17/08/79/769170879.db2.gz HBMISGGAGPMXPP-HIFRSBDPSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618493 769612183 /nfs/dbraw/zinc/61/21/83/769612183.db2.gz ONYWYTCIKICOMF-OAHLLOKOSA-N 2 2 306.410 0.593 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177080964 770324439 /nfs/dbraw/zinc/32/44/39/770324439.db2.gz ORDKYABQINSADE-HOTGVXAUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177080964 770324450 /nfs/dbraw/zinc/32/44/50/770324450.db2.gz ORDKYABQINSADE-HOTGVXAUSA-N 2 2 319.449 0.653 20 30 DCEDLP COc1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1C#N ZINC001156176389 770739619 /nfs/dbraw/zinc/73/96/19/770739619.db2.gz LKPMRPSQXNAPDX-UHFFFAOYSA-N 2 2 304.398 0.795 20 30 DCEDLP COc1cc(C#N)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158259999 771749246 /nfs/dbraw/zinc/74/92/46/771749246.db2.gz BSBFRHXLTVNOTO-GFCCVEGCSA-N 2 2 301.394 0.964 20 30 DCEDLP COc1cc(C#N)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158259999 771749248 /nfs/dbraw/zinc/74/92/48/771749248.db2.gz BSBFRHXLTVNOTO-GFCCVEGCSA-N 2 2 301.394 0.964 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001158697790 771808599 /nfs/dbraw/zinc/80/85/99/771808599.db2.gz HHXHANWLFIKNJY-KRWDZBQOSA-N 2 2 317.437 0.761 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184720445 771817339 /nfs/dbraw/zinc/81/73/39/771817339.db2.gz OYBKJKGVXXFVNA-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)cc1 ZINC001161323615 772204454 /nfs/dbraw/zinc/20/44/54/772204454.db2.gz AEBRDZKQNFPQTD-BMFZPTHFSA-N 2 2 314.389 0.617 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187988681 772254872 /nfs/dbraw/zinc/25/48/72/772254872.db2.gz PIVYBKUMOBBPAL-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163274853 772497552 /nfs/dbraw/zinc/49/75/52/772497552.db2.gz IJMUJEFKPBWEJA-INIZCTEOSA-N 2 2 307.438 0.607 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163274853 772497556 /nfs/dbraw/zinc/49/75/56/772497556.db2.gz IJMUJEFKPBWEJA-INIZCTEOSA-N 2 2 307.438 0.607 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205806181 773022200 /nfs/dbraw/zinc/02/22/00/773022200.db2.gz YLJACVHTFLTYGO-UHFFFAOYSA-N 2 2 318.421 0.751 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194917632 773281018 /nfs/dbraw/zinc/28/10/18/773281018.db2.gz QTMDNWSYFXWUHC-ZIAGYGMSSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194917632 773281021 /nfs/dbraw/zinc/28/10/21/773281021.db2.gz QTMDNWSYFXWUHC-ZIAGYGMSSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575976 773862996 /nfs/dbraw/zinc/86/29/96/773862996.db2.gz CRQLMOAYMDAMKJ-HUUCEWRRSA-N 2 2 306.410 0.973 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213575976 773863003 /nfs/dbraw/zinc/86/30/03/773863003.db2.gz CRQLMOAYMDAMKJ-HUUCEWRRSA-N 2 2 306.410 0.973 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215005626 774032880 /nfs/dbraw/zinc/03/28/80/774032880.db2.gz BSIUANDSNFXENB-RBSFLKMASA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524219 774523011 /nfs/dbraw/zinc/52/30/11/774523011.db2.gz GNIDWARQTQNMGP-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757437 774909632 /nfs/dbraw/zinc/90/96/32/774909632.db2.gz FVDJJHOPPNMGED-YUELXQCFSA-N 2 2 306.410 0.479 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757437 774909635 /nfs/dbraw/zinc/90/96/35/774909635.db2.gz FVDJJHOPPNMGED-YUELXQCFSA-N 2 2 306.410 0.479 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162945 775013265 /nfs/dbraw/zinc/01/32/65/775013265.db2.gz NZIZQFPFQPZLBE-CVEARBPZSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162945 775013274 /nfs/dbraw/zinc/01/32/74/775013274.db2.gz NZIZQFPFQPZLBE-CVEARBPZSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162945 775013282 /nfs/dbraw/zinc/01/32/82/775013282.db2.gz NZIZQFPFQPZLBE-CVEARBPZSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162945 775013289 /nfs/dbraw/zinc/01/32/89/775013289.db2.gz NZIZQFPFQPZLBE-CVEARBPZSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CCOC(=O)N1CCC(CNC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001221298539 775058996 /nfs/dbraw/zinc/05/89/96/775058996.db2.gz RVEXMSQSCJZIJL-UHFFFAOYSA-N 2 2 324.425 0.218 20 30 DCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(C#N)Cc2ccccc2C1 ZINC001221365681 775078179 /nfs/dbraw/zinc/07/81/79/775078179.db2.gz AZZWPUUVOMIASK-HNNXBMFYSA-N 2 2 309.373 0.467 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001221461374 775111929 /nfs/dbraw/zinc/11/19/29/775111929.db2.gz HQBZLUYOZZQXSN-BZUAXINKSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001221461374 775111940 /nfs/dbraw/zinc/11/19/40/775111940.db2.gz HQBZLUYOZZQXSN-BZUAXINKSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461374 775111947 /nfs/dbraw/zinc/11/19/47/775111947.db2.gz HQBZLUYOZZQXSN-BZUAXINKSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001221461374 775111955 /nfs/dbraw/zinc/11/19/55/775111955.db2.gz HQBZLUYOZZQXSN-BZUAXINKSA-N 2 2 323.437 0.052 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411229 775848158 /nfs/dbraw/zinc/84/81/58/775848158.db2.gz JOTULDGCZYCHCU-FPCVCCKLSA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411229 775848165 /nfs/dbraw/zinc/84/81/65/775848165.db2.gz JOTULDGCZYCHCU-FPCVCCKLSA-N 2 2 305.422 0.309 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347670 776283923 /nfs/dbraw/zinc/28/39/23/776283923.db2.gz GUEVHJHYARWZTQ-ZIAGYGMSSA-N 2 2 319.409 0.202 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042124412 777713021 /nfs/dbraw/zinc/71/30/21/777713021.db2.gz FXPFROKBGKOQHP-CJNGLKHVSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001042124412 777713031 /nfs/dbraw/zinc/71/30/31/777713031.db2.gz FXPFROKBGKOQHP-CJNGLKHVSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042160290 777748666 /nfs/dbraw/zinc/74/86/66/777748666.db2.gz OCRQDRRFJXFNLX-LSDHHAIUSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001042160290 777748679 /nfs/dbraw/zinc/74/86/79/777748679.db2.gz OCRQDRRFJXFNLX-LSDHHAIUSA-N 2 2 300.406 0.909 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317680832 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30 DCEDLP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485715617 944094400 /nfs/dbraw/zinc/09/44/00/944094400.db2.gz CIRKBXOHKIKPMG-OLZOCXBDSA-N 2 2 303.834 0.944 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276874456 944336063 /nfs/dbraw/zinc/33/60/63/944336063.db2.gz FBZFAMIOMASSPJ-HOCLYGCPSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276874456 944336073 /nfs/dbraw/zinc/33/60/73/944336073.db2.gz FBZFAMIOMASSPJ-HOCLYGCPSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001486115000 944573697 /nfs/dbraw/zinc/57/36/97/944573697.db2.gz PUCRKWHVUXBZIE-TZMCWYRMSA-N 2 2 319.409 0.224 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001486480404 944916067 /nfs/dbraw/zinc/91/60/67/944916067.db2.gz FUPIJRSENXAKOV-UHFFFAOYSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320069507 945732861 /nfs/dbraw/zinc/73/28/61/945732861.db2.gz XBVIINLNUXNLNJ-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320069507 945732866 /nfs/dbraw/zinc/73/28/66/945732866.db2.gz XBVIINLNUXNLNJ-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320069507 945732873 /nfs/dbraw/zinc/73/28/73/945732873.db2.gz XBVIINLNUXNLNJ-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320069507 945732878 /nfs/dbraw/zinc/73/28/78/945732878.db2.gz XBVIINLNUXNLNJ-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=C[C@@](C)(O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001252551004 945962358 /nfs/dbraw/zinc/96/23/58/945962358.db2.gz ROSVTGSMDPJFQR-IAGOWNOFSA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@@](C)(O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001252551004 945962367 /nfs/dbraw/zinc/96/23/67/945962367.db2.gz ROSVTGSMDPJFQR-IAGOWNOFSA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001252551004 945962372 /nfs/dbraw/zinc/96/23/72/945962372.db2.gz ROSVTGSMDPJFQR-IAGOWNOFSA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001252551004 945962383 /nfs/dbraw/zinc/96/23/83/945962383.db2.gz ROSVTGSMDPJFQR-IAGOWNOFSA-N 2 2 312.454 0.984 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001278704683 946099696 /nfs/dbraw/zinc/09/96/96/946099696.db2.gz SUBZRTJUTYXNPD-CMPLNLGQSA-N 2 2 314.311 0.812 20 30 DCEDLP CC[C@@H](CC#N)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170878 946475588 /nfs/dbraw/zinc/47/55/88/946475588.db2.gz ZCMJLZZMSBWUHT-OWCLPIDISA-N 2 2 322.453 0.790 20 30 DCEDLP CC[C@@H](CC#N)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170878 946475599 /nfs/dbraw/zinc/47/55/99/946475599.db2.gz ZCMJLZZMSBWUHT-OWCLPIDISA-N 2 2 322.453 0.790 20 30 DCEDLP CC[C@@H](CC#N)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170878 946475607 /nfs/dbraw/zinc/47/56/07/946475607.db2.gz ZCMJLZZMSBWUHT-OWCLPIDISA-N 2 2 322.453 0.790 20 30 DCEDLP CC[C@@H](CC#N)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001255170878 946475615 /nfs/dbraw/zinc/47/56/15/946475615.db2.gz ZCMJLZZMSBWUHT-OWCLPIDISA-N 2 2 322.453 0.790 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001278877138 946536227 /nfs/dbraw/zinc/53/62/27/946536227.db2.gz DLZVYEPTBORKQG-UHFFFAOYSA-N 2 2 305.422 0.049 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001322300150 946644042 /nfs/dbraw/zinc/64/40/42/946644042.db2.gz ZNIIKKKPKQVBAA-STQMWFEESA-N 2 2 321.425 0.319 20 30 DCEDLP N#Cc1cccc(C[NH2+][C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001410716197 946825733 /nfs/dbraw/zinc/82/57/33/946825733.db2.gz CCLQWUNLUCDMDQ-OAHLLOKOSA-N 2 2 313.361 0.091 20 30 DCEDLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001324559998 947457492 /nfs/dbraw/zinc/45/74/92/947457492.db2.gz KZJMJLVUTLYOOA-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001324559998 947457507 /nfs/dbraw/zinc/45/75/07/947457507.db2.gz KZJMJLVUTLYOOA-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP C=CC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200058 947599785 /nfs/dbraw/zinc/59/97/85/947599785.db2.gz IWXTWWBDTAVQHM-ZIAGYGMSSA-N 2 2 306.410 0.651 20 30 DCEDLP C=CC[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200058 947599792 /nfs/dbraw/zinc/59/97/92/947599792.db2.gz IWXTWWBDTAVQHM-ZIAGYGMSSA-N 2 2 306.410 0.651 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325450988 947799448 /nfs/dbraw/zinc/79/94/48/947799448.db2.gz TUBKQAFVRJQAAC-KBPBESRZSA-N 2 2 306.410 0.981 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001327143554 948407082 /nfs/dbraw/zinc/40/70/82/948407082.db2.gz SAZBRAKYHLBJOF-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001327143554 948407086 /nfs/dbraw/zinc/40/70/86/948407086.db2.gz SAZBRAKYHLBJOF-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001327570025 948556241 /nfs/dbraw/zinc/55/62/41/948556241.db2.gz TWNJJZBLLMBYRU-XJKCOSOUSA-N 2 2 302.378 0.090 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001327570055 948556303 /nfs/dbraw/zinc/55/63/03/948556303.db2.gz UCZVTJXGMKOFGZ-KRWDZBQOSA-N 2 2 318.421 0.503 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001328222209 948754282 /nfs/dbraw/zinc/75/42/82/948754282.db2.gz IAYAARYBEWBTIZ-UHFFFAOYSA-N 2 2 304.394 0.240 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001488748747 949196698 /nfs/dbraw/zinc/19/66/98/949196698.db2.gz VEYIUWKGFCDHPB-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001265231241 949469549 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318.421 0.983 20 30 DCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001330621498 950552149 /nfs/dbraw/zinc/55/21/49/950552149.db2.gz KFHFSIFERCOZKJ-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP N#CCNC1CC[NH+](CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001279453798 950580180 /nfs/dbraw/zinc/58/01/80/950580180.db2.gz PLXUTWHQUMXNND-UHFFFAOYSA-N 2 2 318.425 0.357 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551356 950853643 /nfs/dbraw/zinc/85/36/43/950853643.db2.gz SGKQBRVPGOJNHB-KBPBESRZSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551356 950853660 /nfs/dbraw/zinc/85/36/60/950853660.db2.gz SGKQBRVPGOJNHB-KBPBESRZSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001280601865 950981586 /nfs/dbraw/zinc/98/15/86/950981586.db2.gz VZASWXUVEIMDMK-ZIAGYGMSSA-N 2 2 304.394 0.449 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1coc(C)n1 ZINC001274096541 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320.437 0.851 20 30 DCEDLP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001332662559 951749160 /nfs/dbraw/zinc/74/91/60/951749160.db2.gz GKBSDWBKIXDLQK-RBSFLKMASA-N 2 2 320.437 0.851 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)C1=O ZINC001274871283 951865010 /nfs/dbraw/zinc/86/50/10/951865010.db2.gz YDJSFNFNOAMTPU-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCN(CC[NH+]1CC2(CCN2CC[NH+](C)C)C1)C(=O)OCC ZINC001274929252 951897298 /nfs/dbraw/zinc/89/72/98/951897298.db2.gz JBTQUGUULBTSCK-UHFFFAOYSA-N 2 2 324.469 0.953 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001282924413 953773040 /nfs/dbraw/zinc/77/30/40/953773040.db2.gz JMFJZTJOVOWCGU-HIFRSBDPSA-N 2 2 322.409 0.360 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001283334531 954263835 /nfs/dbraw/zinc/26/38/35/954263835.db2.gz KWTHSXHKEFZHLC-UHFFFAOYSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001283334531 954263845 /nfs/dbraw/zinc/26/38/45/954263845.db2.gz KWTHSXHKEFZHLC-UHFFFAOYSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317472160 960155983 /nfs/dbraw/zinc/15/59/83/960155983.db2.gz WAJOMBJTRXBLMC-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317472160 960155992 /nfs/dbraw/zinc/15/59/92/960155992.db2.gz WAJOMBJTRXBLMC-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001317472160 960155997 /nfs/dbraw/zinc/15/59/97/960155997.db2.gz WAJOMBJTRXBLMC-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001317472160 960156003 /nfs/dbraw/zinc/15/60/03/960156003.db2.gz WAJOMBJTRXBLMC-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001378387748 960685099 /nfs/dbraw/zinc/68/50/99/960685099.db2.gz PJKMHAQQUSRPNR-UKRRQHHQSA-N 2 2 315.845 0.944 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001378387748 960685106 /nfs/dbraw/zinc/68/51/06/960685106.db2.gz PJKMHAQQUSRPNR-UKRRQHHQSA-N 2 2 315.845 0.944 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001373159421 968770904 /nfs/dbraw/zinc/77/09/04/968770904.db2.gz YJYHXCUHTWQTKJ-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001373159421 968770913 /nfs/dbraw/zinc/77/09/13/968770913.db2.gz YJYHXCUHTWQTKJ-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373159421 968770918 /nfs/dbraw/zinc/77/09/18/968770918.db2.gz YJYHXCUHTWQTKJ-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001373159421 968770927 /nfs/dbraw/zinc/77/09/27/968770927.db2.gz YJYHXCUHTWQTKJ-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001394604191 993897867 /nfs/dbraw/zinc/89/78/67/993897867.db2.gz ASPRVNJNPYBEJZ-LLVKDONJSA-N 2 2 308.769 0.996 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001502592560 1015987607 /nfs/dbraw/zinc/98/76/07/1015987607.db2.gz SOXDLVAOAMIKPW-HOCLYGCPSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001507488145 1016399626 /nfs/dbraw/zinc/39/96/26/1016399626.db2.gz YVDOGVLQHTWDBL-AWEZNQCLSA-N 2 2 306.410 0.359 20 30 DCEDLP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001508181076 1016690669 /nfs/dbraw/zinc/69/06/69/1016690669.db2.gz XWDLPYUKDFQHRG-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001423785117 1011544186 /nfs/dbraw/zinc/54/41/86/1011544186.db2.gz JPADLYVQFAQTHO-WFASDCNBSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001423785117 1011544194 /nfs/dbraw/zinc/54/41/94/1011544194.db2.gz JPADLYVQFAQTHO-WFASDCNBSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001423785117 1011544207 /nfs/dbraw/zinc/54/42/07/1011544207.db2.gz JPADLYVQFAQTHO-WFASDCNBSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001423785117 1011544221 /nfs/dbraw/zinc/54/42/21/1011544221.db2.gz JPADLYVQFAQTHO-WFASDCNBSA-N 2 2 315.845 0.634 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001506657755 1017443640 /nfs/dbraw/zinc/44/36/40/1017443640.db2.gz HLIHBUYIGLAWTR-MRXNPFEDSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001506888079 1017644926 /nfs/dbraw/zinc/64/49/26/1017644926.db2.gz GFKNPHAAVNPBJO-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001506943069 1017688829 /nfs/dbraw/zinc/68/88/29/1017688829.db2.gz BPJWRJZLLKUETD-ZDUSSCGKSA-N 2 2 306.410 0.785 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)CC)C1 ZINC001500855205 1018692926 /nfs/dbraw/zinc/69/29/26/1018692926.db2.gz WEGQMTFBCXXNBO-CABCVRRESA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](C[C@H](C)CC)C1 ZINC001500855205 1018692932 /nfs/dbraw/zinc/69/29/32/1018692932.db2.gz WEGQMTFBCXXNBO-CABCVRRESA-N 2 2 307.438 0.293 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001495855559 1018770034 /nfs/dbraw/zinc/77/00/34/1018770034.db2.gz GCBAFRRIBRWSJK-HNNXBMFYSA-N 2 2 322.409 0.211 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001495855559 1018770041 /nfs/dbraw/zinc/77/00/41/1018770041.db2.gz GCBAFRRIBRWSJK-HNNXBMFYSA-N 2 2 322.409 0.211 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001502061287 1019672037 /nfs/dbraw/zinc/67/20/37/1019672037.db2.gz WLLDBSRJUGTTTQ-CQSZACIVSA-N 2 2 304.394 0.377 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001496921819 1019763358 /nfs/dbraw/zinc/76/33/58/1019763358.db2.gz BRUMQIXEMDNSHV-HUUCEWRRSA-N 2 2 304.394 0.407 20 30 DCEDLP CN(C)c1[nH+]cc(CN(CCC#N)CC[NH+]2CCOCC2)n1C ZINC000362278594 529807051 /nfs/dbraw/zinc/80/70/51/529807051.db2.gz OEQVQRGWYCQUEY-UHFFFAOYSA-N 2 2 320.441 0.534 20 30 DCEDLP C[N@H+](CC(=O)NCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309356 529832428 /nfs/dbraw/zinc/83/24/28/529832428.db2.gz PAQWCTSDZGUWPD-KRWDZBQOSA-N 2 2 316.405 0.195 20 30 DCEDLP C[N@@H+](CC(=O)NCC#N)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309356 529832429 /nfs/dbraw/zinc/83/24/29/529832429.db2.gz PAQWCTSDZGUWPD-KRWDZBQOSA-N 2 2 316.405 0.195 20 30 DCEDLP C[NH+](CC(=O)NCC#N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188309356 529832430 /nfs/dbraw/zinc/83/24/30/529832430.db2.gz PAQWCTSDZGUWPD-KRWDZBQOSA-N 2 2 316.405 0.195 20 30 DCEDLP C[NH+](CC(=O)NCC#N)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188309356 529832431 /nfs/dbraw/zinc/83/24/31/529832431.db2.gz PAQWCTSDZGUWPD-KRWDZBQOSA-N 2 2 316.405 0.195 20 30 DCEDLP CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000357013045 529867026 /nfs/dbraw/zinc/86/70/26/529867026.db2.gz WUZQIYXDGBPAOJ-UHFFFAOYSA-N 2 2 304.398 0.289 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000491376215 241121830 /nfs/dbraw/zinc/12/18/30/241121830.db2.gz ZDMAVUINQGDMAZ-HZPDHXFCSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000491427902 533103660 /nfs/dbraw/zinc/10/36/60/533103660.db2.gz MLOQLJAMOACKRJ-AWEZNQCLSA-N 2 2 303.410 0.874 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000491427902 533103665 /nfs/dbraw/zinc/10/36/65/533103665.db2.gz MLOQLJAMOACKRJ-AWEZNQCLSA-N 2 2 303.410 0.874 20 30 DCEDLP C#CC[NH+]1CCC(c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)CC1 ZINC000491618744 533149930 /nfs/dbraw/zinc/14/99/30/533149930.db2.gz LORXXEWVXFVBQJ-AWEZNQCLSA-N 2 2 303.410 0.801 20 30 DCEDLP C#CC[NH+]1CCC(c2nc([C@@H]3C[N@H+](C)CCN3C)no2)CC1 ZINC000491618744 533149936 /nfs/dbraw/zinc/14/99/36/533149936.db2.gz LORXXEWVXFVBQJ-AWEZNQCLSA-N 2 2 303.410 0.801 20 30 DCEDLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC000595939043 396687800 /nfs/dbraw/zinc/68/78/00/396687800.db2.gz UIDFZEDJUQWBMD-LBPRGKRZSA-N 2 2 321.450 0.547 20 30 DCEDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N(C)CCC#N ZINC000596046787 396711267 /nfs/dbraw/zinc/71/12/67/396711267.db2.gz MQXQEVIUQFOXHU-UKRRQHHQSA-N 2 2 308.426 0.590 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC([NH+](CCO)CCO)CC2)cc1 ZINC000600179801 396750502 /nfs/dbraw/zinc/75/05/02/396750502.db2.gz YBEFKAVEWJPYGU-UHFFFAOYSA-N 2 2 303.406 0.809 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170894 415922289 /nfs/dbraw/zinc/92/22/89/415922289.db2.gz FOBRTEAYFKCFKX-HZPDHXFCSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170894 415922291 /nfs/dbraw/zinc/92/22/91/415922291.db2.gz FOBRTEAYFKCFKX-HZPDHXFCSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1=O ZINC000337202388 415927438 /nfs/dbraw/zinc/92/74/38/415927438.db2.gz DXSLHLFIDLLSEE-OAHLLOKOSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1=O ZINC000337202388 415927443 /nfs/dbraw/zinc/92/74/43/415927443.db2.gz DXSLHLFIDLLSEE-OAHLLOKOSA-N 2 2 322.453 0.306 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nccn1C ZINC000329114327 416151119 /nfs/dbraw/zinc/15/11/19/416151119.db2.gz LZDNMUZMBIZQKB-UHFFFAOYSA-N 2 2 322.457 0.792 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1nccn1C ZINC000329114327 416151121 /nfs/dbraw/zinc/15/11/21/416151121.db2.gz LZDNMUZMBIZQKB-UHFFFAOYSA-N 2 2 322.457 0.792 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C([O-])=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000329755394 416189737 /nfs/dbraw/zinc/18/97/37/416189737.db2.gz XZOKIPCNLQQNIL-CHWSQXEVSA-N 2 2 321.425 0.834 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C([O-])=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329755394 416189739 /nfs/dbraw/zinc/18/97/39/416189739.db2.gz XZOKIPCNLQQNIL-CHWSQXEVSA-N 2 2 321.425 0.834 20 30 DCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@H](CCO)C2)CC1 ZINC000330492890 416212282 /nfs/dbraw/zinc/21/22/82/416212282.db2.gz RQDCBUOOHIZWHK-CQSZACIVSA-N 2 2 312.458 0.631 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347228929 416214818 /nfs/dbraw/zinc/21/48/18/416214818.db2.gz ZNWJXWFYBJSFFJ-TZMCWYRMSA-N 2 2 318.377 0.935 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347228929 416214820 /nfs/dbraw/zinc/21/48/20/416214820.db2.gz ZNWJXWFYBJSFFJ-TZMCWYRMSA-N 2 2 318.377 0.935 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000491555262 416605847 /nfs/dbraw/zinc/60/58/47/416605847.db2.gz PYJUZKILCAXMBI-OAHLLOKOSA-N 2 2 309.454 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000491555262 416605849 /nfs/dbraw/zinc/60/58/49/416605849.db2.gz PYJUZKILCAXMBI-OAHLLOKOSA-N 2 2 309.454 0.493 20 30 DCEDLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424138213 416615221 /nfs/dbraw/zinc/61/52/21/416615221.db2.gz TZSCDMUZJOGFDV-HNNXBMFYSA-N 2 2 319.409 0.957 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000491707791 416617271 /nfs/dbraw/zinc/61/72/71/416617271.db2.gz NYKQXVJPLWSMLU-INIZCTEOSA-N 2 2 306.454 0.036 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000491707791 416617273 /nfs/dbraw/zinc/61/72/73/416617273.db2.gz NYKQXVJPLWSMLU-INIZCTEOSA-N 2 2 306.454 0.036 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000491715677 416619287 /nfs/dbraw/zinc/61/92/87/416619287.db2.gz KZOJHXIAZARYHJ-SJLPKXTDSA-N 2 2 323.481 0.643 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000491774425 416627812 /nfs/dbraw/zinc/62/78/12/416627812.db2.gz WGQMFBGQIWYWCB-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000491802317 416630428 /nfs/dbraw/zinc/63/04/28/416630428.db2.gz GCODBYOEJWMBNC-HOTGVXAUSA-N 2 2 321.465 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000491802317 416630430 /nfs/dbraw/zinc/63/04/30/416630430.db2.gz GCODBYOEJWMBNC-HOTGVXAUSA-N 2 2 321.465 0.493 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000366517082 416631105 /nfs/dbraw/zinc/63/11/05/416631105.db2.gz TZWFROLBEOFAKC-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000366517082 416631113 /nfs/dbraw/zinc/63/11/13/416631113.db2.gz TZWFROLBEOFAKC-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C=CCC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551906 418275085 /nfs/dbraw/zinc/27/50/85/418275085.db2.gz KBDJTDCAWYLNPN-GJZGRUSLSA-N 2 2 324.469 0.781 20 30 DCEDLP C=CCC[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551906 418275087 /nfs/dbraw/zinc/27/50/87/418275087.db2.gz KBDJTDCAWYLNPN-GJZGRUSLSA-N 2 2 324.469 0.781 20 30 DCEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)CCC2 ZINC000562997810 333026577 /nfs/dbraw/zinc/02/65/77/333026577.db2.gz XFSFKBQBBHFWIH-CABCVRRESA-N 2 2 305.426 0.865 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000491404745 333077967 /nfs/dbraw/zinc/07/79/67/333077967.db2.gz DYCDTZNAUZKENJ-INIZCTEOSA-N 2 2 322.453 0.448 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000491404745 333077968 /nfs/dbraw/zinc/07/79/68/333077968.db2.gz DYCDTZNAUZKENJ-INIZCTEOSA-N 2 2 322.453 0.448 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000110922283 334297787 /nfs/dbraw/zinc/29/77/87/334297787.db2.gz VQIUAVIPFJNYRM-UHFFFAOYSA-N 2 2 307.438 0.512 20 30 DCEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000329819535 336085723 /nfs/dbraw/zinc/08/57/23/336085723.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 2 309.458 0.219 20 30 DCEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000329819535 336085725 /nfs/dbraw/zinc/08/57/25/336085725.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 2 309.458 0.219 20 30 DCEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000329819535 336085727 /nfs/dbraw/zinc/08/57/27/336085727.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 2 309.458 0.219 20 30 DCEDLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000329819535 336085729 /nfs/dbraw/zinc/08/57/29/336085729.db2.gz XVDXJXFLYFIHKG-SNPRPXQTSA-N 2 2 309.458 0.219 20 30 DCEDLP CC(C)(C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000330171103 336120641 /nfs/dbraw/zinc/12/06/41/336120641.db2.gz FCWKENSLJXTXLE-CYBMUJFWSA-N 2 2 321.425 0.812 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000490715391 339838377 /nfs/dbraw/zinc/83/83/77/339838377.db2.gz WQYCRIDQGGANJS-KRWDZBQOSA-N 2 2 319.449 0.655 20 30 DCEDLP N#CCCN(CCC[NH+]1CCOCC1)CC[NH+]1CCOCC1 ZINC000081158039 341280321 /nfs/dbraw/zinc/28/03/21/341280321.db2.gz CQMOJUIHBIQSDX-UHFFFAOYSA-N 2 2 310.442 0.257 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000358812459 526431863 /nfs/dbraw/zinc/43/18/63/526431863.db2.gz CIVHYZJAMZGWTP-CQSZACIVSA-N 2 2 310.442 0.657 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000358812459 526431867 /nfs/dbraw/zinc/43/18/67/526431867.db2.gz CIVHYZJAMZGWTP-CQSZACIVSA-N 2 2 310.442 0.657 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328637588 546038161 /nfs/dbraw/zinc/03/81/61/546038161.db2.gz AXKPDRBRICMVNQ-KFWWJZLASA-N 2 2 310.442 0.838 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328637588 546038167 /nfs/dbraw/zinc/03/81/67/546038167.db2.gz AXKPDRBRICMVNQ-KFWWJZLASA-N 2 2 310.442 0.838 20 30 DCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000329433954 546049285 /nfs/dbraw/zinc/04/92/85/546049285.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 2 309.458 0.220 20 30 DCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000329433954 546049290 /nfs/dbraw/zinc/04/92/90/546049290.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 2 309.458 0.220 20 30 DCEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329433954 546049295 /nfs/dbraw/zinc/04/92/95/546049295.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 2 309.458 0.220 20 30 DCEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329433954 546049298 /nfs/dbraw/zinc/04/92/98/546049298.db2.gz JCDMHQOQLCTVGV-DZGCQCFKSA-N 2 2 309.458 0.220 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001673352854 1175194588 /nfs/dbraw/zinc/19/45/88/1175194588.db2.gz UMXLCFCYOIQVBS-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001673352854 1175194595 /nfs/dbraw/zinc/19/45/95/1175194595.db2.gz UMXLCFCYOIQVBS-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535189 657646912 /nfs/dbraw/zinc/64/69/12/657646912.db2.gz RUMTYIDJNOJFHH-KRWDZBQOSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535189 657646919 /nfs/dbraw/zinc/64/69/19/657646919.db2.gz RUMTYIDJNOJFHH-KRWDZBQOSA-N 2 2 307.438 0.818 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000972006628 658152809 /nfs/dbraw/zinc/15/28/09/658152809.db2.gz SMEZVLIVBQXKTD-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006628 658152817 /nfs/dbraw/zinc/15/28/17/658152817.db2.gz SMEZVLIVBQXKTD-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972006628 658152820 /nfs/dbraw/zinc/15/28/20/658152820.db2.gz SMEZVLIVBQXKTD-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972006628 658152825 /nfs/dbraw/zinc/15/28/25/658152825.db2.gz SMEZVLIVBQXKTD-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972700563 658289922 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DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000884422075 667542145 /nfs/dbraw/zinc/54/21/45/667542145.db2.gz LXXPYLZWOPOVPQ-GJZGRUSLSA-N 2 2 323.437 0.671 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000876874810 668525211 /nfs/dbraw/zinc/52/52/11/668525211.db2.gz KDUHQYZQZHOVTK-GFCCVEGCSA-N 2 2 316.833 0.127 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000876874810 668525216 /nfs/dbraw/zinc/52/52/16/668525216.db2.gz KDUHQYZQZHOVTK-GFCCVEGCSA-N 2 2 316.833 0.127 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000876886048 668528778 /nfs/dbraw/zinc/52/87/78/668528778.db2.gz RCLCUFKFOWBAGA-NWDGAFQWSA-N 2 2 317.817 0.552 20 30 DCEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000878867457 668941842 /nfs/dbraw/zinc/94/18/42/668941842.db2.gz FYLCWUMKFITBKA-DLBZAZTESA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000878867457 668941847 /nfs/dbraw/zinc/94/18/47/668941847.db2.gz FYLCWUMKFITBKA-DLBZAZTESA-N 2 2 303.406 0.980 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778387 670187567 /nfs/dbraw/zinc/18/75/67/670187567.db2.gz RNMVJUZOLVNVPB-CABCVRRESA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778387 670187569 /nfs/dbraw/zinc/18/75/69/670187569.db2.gz RNMVJUZOLVNVPB-CABCVRRESA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000855413644 670709649 /nfs/dbraw/zinc/70/96/49/670709649.db2.gz OLGLYUNHHPCIHR-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000855413644 670709651 /nfs/dbraw/zinc/70/96/51/670709651.db2.gz OLGLYUNHHPCIHR-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC000957422274 687059350 /nfs/dbraw/zinc/05/93/50/687059350.db2.gz RDCCYBUMXZZPII-CQSZACIVSA-N 2 2 307.438 0.245 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017570195 692940592 /nfs/dbraw/zinc/94/05/92/692940592.db2.gz WQANKAHMPQBCJW-YYIAUSFCSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017570195 692940596 /nfs/dbraw/zinc/94/05/96/692940596.db2.gz WQANKAHMPQBCJW-YYIAUSFCSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017570195 692940598 /nfs/dbraw/zinc/94/05/98/692940598.db2.gz WQANKAHMPQBCJW-YYIAUSFCSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017570195 692940602 /nfs/dbraw/zinc/94/06/02/692940602.db2.gz WQANKAHMPQBCJW-YYIAUSFCSA-N 2 2 317.433 0.548 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001570494049 1162529377 /nfs/dbraw/zinc/52/93/77/1162529377.db2.gz XXYQTWMQLMTHJN-AWEZNQCLSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001570493446 1162529715 /nfs/dbraw/zinc/52/97/15/1162529715.db2.gz GQZMZYKYQYDWEL-AWEZNQCLSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[NH+]1CCC(CO)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001570497334 1162531365 /nfs/dbraw/zinc/53/13/65/1162531365.db2.gz BMCCZOGJVAXNFZ-UHFFFAOYSA-N 2 2 306.410 0.780 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001570908315 1162646414 /nfs/dbraw/zinc/64/64/14/1162646414.db2.gz YXOLTYXYWYNREX-OAHLLOKOSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001570908315 1162646417 /nfs/dbraw/zinc/64/64/17/1162646417.db2.gz YXOLTYXYWYNREX-OAHLLOKOSA-N 2 2 320.437 0.992 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001571535716 1162800475 /nfs/dbraw/zinc/80/04/75/1162800475.db2.gz GBUJJQUQJRZZAC-CABCVRRESA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001571535716 1162800488 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1181636577 /nfs/dbraw/zinc/63/65/77/1181636577.db2.gz NKEOQERZJGPJDJ-JYJNAYRXSA-N 2 2 305.422 0.263 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001715099757 1181688416 /nfs/dbraw/zinc/68/84/16/1181688416.db2.gz CFOXEJILQNRUGL-UHFFFAOYSA-N 2 2 319.409 0.273 20 30 DCEDLP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001715276544 1181748248 /nfs/dbraw/zinc/74/82/48/1181748248.db2.gz IIFUPNKBYHKSLS-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001715276544 1181748256 /nfs/dbraw/zinc/74/82/56/1181748256.db2.gz IIFUPNKBYHKSLS-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001715276544 1181748263 /nfs/dbraw/zinc/74/82/63/1181748263.db2.gz IIFUPNKBYHKSLS-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001715276544 1181748270 /nfs/dbraw/zinc/74/82/70/1181748270.db2.gz IIFUPNKBYHKSLS-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001715427516 1181810978 /nfs/dbraw/zinc/81/09/78/1181810978.db2.gz YBQMSQIEZBGFOV-TZMCWYRMSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001716074824 1182172663 /nfs/dbraw/zinc/17/26/63/1182172663.db2.gz FLFOTRGTQZWXQB-KBPBESRZSA-N 2 2 319.409 0.060 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001716180822 1182238190 /nfs/dbraw/zinc/23/81/90/1182238190.db2.gz XHFIWDRUNRMRKB-UONOGXRCSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001716180822 1182238193 /nfs/dbraw/zinc/23/81/93/1182238193.db2.gz XHFIWDRUNRMRKB-UONOGXRCSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001716768945 1182518625 /nfs/dbraw/zinc/51/86/25/1182518625.db2.gz IWEVXBHUQADTSC-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001716921144 1182577066 /nfs/dbraw/zinc/57/70/66/1182577066.db2.gz LDKFKSDWZKXWFC-XJKSGUPXSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001716921144 1182577070 /nfs/dbraw/zinc/57/70/70/1182577070.db2.gz LDKFKSDWZKXWFC-XJKSGUPXSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716970405 1182606755 /nfs/dbraw/zinc/60/67/55/1182606755.db2.gz WQRQFNPDDBUIET-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001723300968 1184281986 /nfs/dbraw/zinc/28/19/86/1184281986.db2.gz MEQIUPXTZNFYMX-HNNXBMFYSA-N 2 2 304.394 0.477 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001723300968 1184281992 /nfs/dbraw/zinc/28/19/92/1184281992.db2.gz MEQIUPXTZNFYMX-HNNXBMFYSA-N 2 2 304.394 0.477 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001724909731 1184615163 /nfs/dbraw/zinc/61/51/63/1184615163.db2.gz FYUNFFVEWXIJMH-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001724909731 1184615166 /nfs/dbraw/zinc/61/51/66/1184615166.db2.gz FYUNFFVEWXIJMH-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001724981373 1184642086 /nfs/dbraw/zinc/64/20/86/1184642086.db2.gz KOIXTLRXTLUYGS-UHFFFAOYSA-N 2 2 304.394 0.309 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001724981373 1184642088 /nfs/dbraw/zinc/64/20/88/1184642088.db2.gz KOIXTLRXTLUYGS-UHFFFAOYSA-N 2 2 304.394 0.309 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCOC ZINC001725757105 1184984461 /nfs/dbraw/zinc/98/44/61/1184984461.db2.gz OUAHDAQNEQQCJV-UHFFFAOYSA-N 2 2 306.410 0.624 20 30 DCEDLP C#CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)CCOC ZINC001725757105 1184984468 /nfs/dbraw/zinc/98/44/68/1184984468.db2.gz OUAHDAQNEQQCJV-UHFFFAOYSA-N 2 2 306.410 0.624 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001731434561 1185330841 /nfs/dbraw/zinc/33/08/41/1185330841.db2.gz RLHDZQWDQJZPTD-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731813692 1185499849 /nfs/dbraw/zinc/49/98/49/1185499849.db2.gz VGSUIQYYOCZNBF-OAHLLOKOSA-N 2 2 306.410 0.922 20 30 DCEDLP CC[N@H+](CC#CCOC)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001731813692 1185499856 /nfs/dbraw/zinc/49/98/56/1185499856.db2.gz VGSUIQYYOCZNBF-OAHLLOKOSA-N 2 2 306.410 0.922 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001731851989 1185529865 /nfs/dbraw/zinc/52/98/65/1185529865.db2.gz AMGVIGMSRWZLJM-HNNXBMFYSA-N 2 2 304.394 0.361 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001731851989 1185529872 /nfs/dbraw/zinc/52/98/72/1185529872.db2.gz AMGVIGMSRWZLJM-HNNXBMFYSA-N 2 2 304.394 0.361 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733493106 1186301303 /nfs/dbraw/zinc/30/13/03/1186301303.db2.gz ZMGHSQVYEXTSFX-CPUCHLNUSA-N 2 2 316.405 0.100 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733493106 1186301309 /nfs/dbraw/zinc/30/13/09/1186301309.db2.gz ZMGHSQVYEXTSFX-CPUCHLNUSA-N 2 2 316.405 0.100 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001733787936 1186447013 /nfs/dbraw/zinc/44/70/13/1186447013.db2.gz PJGWUOKWYOILSP-UHFFFAOYSA-N 2 2 307.438 0.962 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001733915284 1186496456 /nfs/dbraw/zinc/49/64/56/1186496456.db2.gz WWFJBLXWEANRIY-UHFFFAOYSA-N 2 2 322.409 0.479 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001734125450 1186554514 /nfs/dbraw/zinc/55/45/14/1186554514.db2.gz IFHAUYPUOCQYQO-LSDHHAIUSA-N 2 2 307.438 0.415 20 30 DCEDLP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001734345284 1186619428 /nfs/dbraw/zinc/61/94/28/1186619428.db2.gz ZDQKPIDGGDMZBJ-KGLIPLIRSA-N 2 2 319.409 0.020 20 30 DCEDLP CC#CC[N@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001753050173 1188485192 /nfs/dbraw/zinc/48/51/92/1188485192.db2.gz GLCOCUMVIJLUDC-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP CC#CC[N@@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001753050173 1188485193 /nfs/dbraw/zinc/48/51/93/1188485193.db2.gz GLCOCUMVIJLUDC-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP CC#CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001753050173 1188485195 /nfs/dbraw/zinc/48/51/95/1188485195.db2.gz GLCOCUMVIJLUDC-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP CC#CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001753050173 1188485197 /nfs/dbraw/zinc/48/51/97/1188485197.db2.gz GLCOCUMVIJLUDC-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001753775912 1188653816 /nfs/dbraw/zinc/65/38/16/1188653816.db2.gz WURUVPLOWSTLOK-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001753775912 1188653818 /nfs/dbraw/zinc/65/38/18/1188653818.db2.gz WURUVPLOWSTLOK-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001753869986 1188669556 /nfs/dbraw/zinc/66/95/56/1188669556.db2.gz MCUQKBMZGSZCDV-CQSZACIVSA-N 2 2 319.409 0.060 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001753869986 1188669557 /nfs/dbraw/zinc/66/95/57/1188669557.db2.gz MCUQKBMZGSZCDV-CQSZACIVSA-N 2 2 319.409 0.060 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001754601889 1188888008 /nfs/dbraw/zinc/88/80/08/1188888008.db2.gz WHFITECCYPKXQS-KBPBESRZSA-N 2 2 304.394 0.571 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001755004455 1188992537 /nfs/dbraw/zinc/99/25/37/1188992537.db2.gz BKBBEEIADAHHQT-CQSZACIVSA-N 2 2 304.394 0.193 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001755086761 1189018018 /nfs/dbraw/zinc/01/80/18/1189018018.db2.gz WXIUMALIHPOLRA-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)C3(C[NH+](C)C)CC3)nn2)C1 ZINC001107199047 751945274 /nfs/dbraw/zinc/94/52/74/751945274.db2.gz CSBMYBDZLULJGH-UHFFFAOYSA-N 2 2 318.425 0.279 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](CC)[NH+](C)C)nn2)C1 ZINC001107212145 751953788 /nfs/dbraw/zinc/95/37/88/751953788.db2.gz PQQYPGFQSVXECI-HNNXBMFYSA-N 2 2 320.441 0.667 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772393 752047665 /nfs/dbraw/zinc/04/76/65/752047665.db2.gz HGHIKVLEHLDGND-HNNXBMFYSA-N 2 2 321.425 0.698 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772393 752047674 /nfs/dbraw/zinc/04/76/74/752047674.db2.gz HGHIKVLEHLDGND-HNNXBMFYSA-N 2 2 321.425 0.698 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835652 747019262 /nfs/dbraw/zinc/01/92/62/747019262.db2.gz CSDGYQJTBGHTAW-OLZOCXBDSA-N 2 2 319.409 0.224 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083233157 747333188 /nfs/dbraw/zinc/33/31/88/747333188.db2.gz LFRWLUFUOAMNDO-JKSUJKDBSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083233157 747333191 /nfs/dbraw/zinc/33/31/91/747333191.db2.gz LFRWLUFUOAMNDO-JKSUJKDBSA-N 2 2 305.422 0.263 20 30 DCEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083248535 747422859 /nfs/dbraw/zinc/42/28/59/747422859.db2.gz LYBQATGUGZVSCV-LSDHHAIUSA-N 2 2 304.394 0.450 20 30 DCEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083248535 747422861 /nfs/dbraw/zinc/42/28/61/747422861.db2.gz LYBQATGUGZVSCV-LSDHHAIUSA-N 2 2 304.394 0.450 20 30 DCEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3c[nH+]cc3C)C2)nn1 ZINC001105283007 748104033 /nfs/dbraw/zinc/10/40/33/748104033.db2.gz AFBHRUZAKPXCFJ-UHFFFAOYSA-N 2 2 315.381 0.142 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448313 748757511 /nfs/dbraw/zinc/75/75/11/748757511.db2.gz RDJIFKZHHKBTGS-UHFFFAOYSA-N 2 2 319.409 0.249 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083463223 749841732 /nfs/dbraw/zinc/84/17/32/749841732.db2.gz YBJPWHFGADALPH-CABCVRRESA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001083463223 749841734 /nfs/dbraw/zinc/84/17/34/749841734.db2.gz YBJPWHFGADALPH-CABCVRRESA-N 2 2 307.438 0.436 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251518 750296742 /nfs/dbraw/zinc/29/67/42/750296742.db2.gz FBOMTBXEFFQUBY-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251518 750296744 /nfs/dbraw/zinc/29/67/44/750296744.db2.gz FBOMTBXEFFQUBY-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077258906 750300392 /nfs/dbraw/zinc/30/03/92/750300392.db2.gz BQJKVHYTBREEDU-BFHYXJOUSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077258906 750300397 /nfs/dbraw/zinc/30/03/97/750300397.db2.gz BQJKVHYTBREEDU-BFHYXJOUSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259481 750300650 /nfs/dbraw/zinc/30/06/50/750300650.db2.gz SOEKXSJQSSAJGA-RBSFLKMASA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259481 750300661 /nfs/dbraw/zinc/30/06/61/750300661.db2.gz SOEKXSJQSSAJGA-RBSFLKMASA-N 2 2 318.421 0.573 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498889 751168827 /nfs/dbraw/zinc/16/88/27/751168827.db2.gz VPRUWUZCLVUWNT-HZPDHXFCSA-N 2 2 318.421 0.607 20 30 DCEDLP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001045925804 753372202 /nfs/dbraw/zinc/37/22/02/753372202.db2.gz UWROTZNWDQNHCF-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925804 753372208 /nfs/dbraw/zinc/37/22/08/753372208.db2.gz UWROTZNWDQNHCF-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925804 753372215 /nfs/dbraw/zinc/37/22/15/753372215.db2.gz UWROTZNWDQNHCF-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046066600 753460522 /nfs/dbraw/zinc/46/05/22/753460522.db2.gz NPJTTXXWBNKMMH-OAHLLOKOSA-N 2 2 303.410 0.357 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046066600 753460526 /nfs/dbraw/zinc/46/05/26/753460526.db2.gz NPJTTXXWBNKMMH-OAHLLOKOSA-N 2 2 303.410 0.357 20 30 DCEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082032 753472500 /nfs/dbraw/zinc/47/25/00/753472500.db2.gz RHCLACBTZSQINN-HNNXBMFYSA-N 2 2 317.437 0.665 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082032 753472508 /nfs/dbraw/zinc/47/25/08/753472508.db2.gz 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/nfs/dbraw/zinc/09/84/64/759098464.db2.gz KHJMIWWULMOCBK-DLBZAZTESA-N 2 2 318.465 0.322 20 30 DCEDLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052083974 759166647 /nfs/dbraw/zinc/16/66/47/759166647.db2.gz RXROTCHVRIIKIU-HOTGVXAUSA-N 2 2 319.453 0.070 20 30 DCEDLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052083974 759166650 /nfs/dbraw/zinc/16/66/50/759166650.db2.gz RXROTCHVRIIKIU-HOTGVXAUSA-N 2 2 319.453 0.070 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117589 759191440 /nfs/dbraw/zinc/19/14/40/759191440.db2.gz UQHLRAYNTXYEOC-IRXDYDNUSA-N 2 2 320.481 0.733 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117589 759191445 /nfs/dbraw/zinc/19/14/45/759191445.db2.gz UQHLRAYNTXYEOC-IRXDYDNUSA-N 2 2 320.481 0.733 20 30 DCEDLP COc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ncc1C#N ZINC001155374090 759788365 /nfs/dbraw/zinc/78/83/65/759788365.db2.gz WNVKPUAJXWUKIG-ZDUSSCGKSA-N 2 2 302.382 0.216 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086251976 759907227 /nfs/dbraw/zinc/90/72/27/759907227.db2.gz SXSUBBUBVBIKJB-OKILXGFUSA-N 2 2 309.373 0.999 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086372838 760110432 /nfs/dbraw/zinc/11/04/32/760110432.db2.gz ZOARUIACGWJTDV-XEZPLFJOSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086372838 760110437 /nfs/dbraw/zinc/11/04/37/760110437.db2.gz ZOARUIACGWJTDV-XEZPLFJOSA-N 2 2 315.421 0.908 20 30 DCEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)c2C1 ZINC001069883112 760928112 /nfs/dbraw/zinc/92/81/12/760928112.db2.gz RDKNNTJYXUDDTP-CQSZACIVSA-N 2 2 317.437 0.843 20 30 DCEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CC[N@H+](C)C3)c2C1 ZINC001069883112 760928119 /nfs/dbraw/zinc/92/81/19/760928119.db2.gz RDKNNTJYXUDDTP-CQSZACIVSA-N 2 2 317.437 0.843 20 30 DCEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[NH+](C)C3)c2C1 ZINC001069883112 760928127 /nfs/dbraw/zinc/92/81/27/760928127.db2.gz RDKNNTJYXUDDTP-CQSZACIVSA-N 2 2 317.437 0.843 20 30 DCEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CC[NH+](C)C3)c2C1 ZINC001069883112 760928133 /nfs/dbraw/zinc/92/81/33/760928133.db2.gz RDKNNTJYXUDDTP-CQSZACIVSA-N 2 2 317.437 0.843 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)CCC)CC2=O)C1 ZINC001108587858 760930001 /nfs/dbraw/zinc/93/00/01/760930001.db2.gz WYNDWJMQIGEJFY-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)CCC)CC2=O)C1 ZINC001108587858 760930007 /nfs/dbraw/zinc/93/00/07/760930007.db2.gz WYNDWJMQIGEJFY-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108787410 761046366 /nfs/dbraw/zinc/04/63/66/761046366.db2.gz RPCJRPFKCLQSFV-ZNMIVQPWSA-N 2 2 316.405 0.571 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108798192 761054223 /nfs/dbraw/zinc/05/42/23/761054223.db2.gz VPCQNUMTXUOROM-KKUMJFAQSA-N 2 2 300.406 0.955 20 30 DCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864481 761584769 /nfs/dbraw/zinc/58/47/69/761584769.db2.gz DTOKBGFFESBAHD-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226187 761723061 /nfs/dbraw/zinc/72/30/61/761723061.db2.gz VUHADEDFDJFEPG-PBHICJAKSA-N 2 2 318.421 0.840 20 30 DCEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071226187 761723065 /nfs/dbraw/zinc/72/30/65/761723065.db2.gz VUHADEDFDJFEPG-PBHICJAKSA-N 2 2 318.421 0.840 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)nn1 ZINC001098774936 762729502 /nfs/dbraw/zinc/72/95/02/762729502.db2.gz VEJQPIRTXIJTEG-HNNXBMFYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)nn1 ZINC001098774936 762729507 /nfs/dbraw/zinc/72/95/07/762729507.db2.gz VEJQPIRTXIJTEG-HNNXBMFYSA-N 2 2 318.425 0.116 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC001134499178 765546675 /nfs/dbraw/zinc/54/66/75/765546675.db2.gz XUZKCPAPDOTKMU-KGLIPLIRSA-N 2 2 319.409 0.327 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575875 765994512 /nfs/dbraw/zinc/99/45/12/765994512.db2.gz MJOKDWDTSYPRQH-VXGBXAGGSA-N 2 2 307.398 0.127 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC001094293315 768979206 /nfs/dbraw/zinc/97/92/06/768979206.db2.gz JSSBGRBAOPDNNQ-IUODEOHRSA-N 2 2 318.425 0.277 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001094293315 768979212 /nfs/dbraw/zinc/97/92/12/768979212.db2.gz JSSBGRBAOPDNNQ-IUODEOHRSA-N 2 2 318.425 0.277 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595499 769134762 /nfs/dbraw/zinc/13/47/62/769134762.db2.gz AIAHTQRJEUPICQ-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595499 769134764 /nfs/dbraw/zinc/13/47/64/769134764.db2.gz AIAHTQRJEUPICQ-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346319 769631488 /nfs/dbraw/zinc/63/14/88/769631488.db2.gz SIAXCGHZXXAQFS-IAGOWNOFSA-N 2 2 319.449 0.511 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346319 769631495 /nfs/dbraw/zinc/63/14/95/769631495.db2.gz SIAXCGHZXXAQFS-IAGOWNOFSA-N 2 2 319.449 0.511 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235333472 769815758 /nfs/dbraw/zinc/81/57/58/769815758.db2.gz CZUVVFBEWPHZSD-HOTGVXAUSA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235333472 769815766 /nfs/dbraw/zinc/81/57/66/769815766.db2.gz CZUVVFBEWPHZSD-HOTGVXAUSA-N 2 2 307.438 0.509 20 30 DCEDLP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528802 770211492 /nfs/dbraw/zinc/21/14/92/770211492.db2.gz JTCXUHJNFIZABF-CQSZACIVSA-N 2 2 321.425 0.402 20 30 DCEDLP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528802 770211502 /nfs/dbraw/zinc/21/15/02/770211502.db2.gz JTCXUHJNFIZABF-CQSZACIVSA-N 2 2 321.425 0.402 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177138113 770355750 /nfs/dbraw/zinc/35/57/50/770355750.db2.gz IOFHPHVMKULYAX-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177138113 770355759 /nfs/dbraw/zinc/35/57/59/770355759.db2.gz IOFHPHVMKULYAX-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138113 770355771 /nfs/dbraw/zinc/35/57/71/770355771.db2.gz IOFHPHVMKULYAX-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138113 770355782 /nfs/dbraw/zinc/35/57/82/770355782.db2.gz IOFHPHVMKULYAX-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155371519 770479577 /nfs/dbraw/zinc/47/95/77/770479577.db2.gz ALEVZBXYEIRQRS-ZDUSSCGKSA-N 2 2 316.365 0.721 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853142 770881897 /nfs/dbraw/zinc/88/18/97/770881897.db2.gz NPTXKHHSAZKQLZ-ZFWWWQNUSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853142 770881909 /nfs/dbraw/zinc/88/19/09/770881909.db2.gz NPTXKHHSAZKQLZ-ZFWWWQNUSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534376 771787560 /nfs/dbraw/zinc/78/75/60/771787560.db2.gz WHBDGVNYHVGNIR-MRXNPFEDSA-N 2 2 318.421 0.915 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534376 771787563 /nfs/dbraw/zinc/78/75/63/771787563.db2.gz WHBDGVNYHVGNIR-MRXNPFEDSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)on1 ZINC001160191726 772006292 /nfs/dbraw/zinc/00/62/92/772006292.db2.gz NALMMUKUFIHQAC-HNNXBMFYSA-N 2 2 304.394 0.677 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)on1 ZINC001160191726 772006299 /nfs/dbraw/zinc/00/62/99/772006299.db2.gz NALMMUKUFIHQAC-HNNXBMFYSA-N 2 2 304.394 0.677 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ncccn1 ZINC001160209499 772009527 /nfs/dbraw/zinc/00/95/27/772009527.db2.gz NCVYRGNHZKDTPW-CABCVRRESA-N 2 2 315.421 0.731 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ncccn1 ZINC001160209499 772009534 /nfs/dbraw/zinc/00/95/34/772009534.db2.gz NCVYRGNHZKDTPW-CABCVRRESA-N 2 2 315.421 0.731 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nocc1C ZINC001160209812 772010678 /nfs/dbraw/zinc/01/06/78/772010678.db2.gz XLUHXTCLQYFAKY-HNNXBMFYSA-N 2 2 304.394 0.677 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nocc1C ZINC001160209812 772010684 /nfs/dbraw/zinc/01/06/84/772010684.db2.gz XLUHXTCLQYFAKY-HNNXBMFYSA-N 2 2 304.394 0.677 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214512 772184773 /nfs/dbraw/zinc/18/47/73/772184773.db2.gz AUDKJSFQMGHYEJ-CQSZACIVSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189144452 772429102 /nfs/dbraw/zinc/42/91/02/772429102.db2.gz ZEEYCIIRZGCMBW-SOUVJXGZSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189144452 772429103 /nfs/dbraw/zinc/42/91/03/772429103.db2.gz ZEEYCIIRZGCMBW-SOUVJXGZSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787006 772532368 /nfs/dbraw/zinc/53/23/68/772532368.db2.gz JTHNDKCVOPCZDB-GOEBONIOSA-N 2 2 318.421 0.698 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189787006 772532373 /nfs/dbraw/zinc/53/23/73/772532373.db2.gz JTHNDKCVOPCZDB-GOEBONIOSA-N 2 2 318.421 0.698 20 30 DCEDLP CC#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001203807290 772925042 /nfs/dbraw/zinc/92/50/42/772925042.db2.gz RZJQRCJJWDIQQG-KRWDZBQOSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193697022 773105003 /nfs/dbraw/zinc/10/50/03/773105003.db2.gz XCMUIJNFJLFGOL-AWEZNQCLSA-N 2 2 306.410 0.996 20 30 DCEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193697022 773105005 /nfs/dbraw/zinc/10/50/05/773105005.db2.gz XCMUIJNFJLFGOL-AWEZNQCLSA-N 2 2 306.410 0.996 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026198 773140684 /nfs/dbraw/zinc/14/06/84/773140684.db2.gz BZXFNILIFVYYNO-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194026198 773140687 /nfs/dbraw/zinc/14/06/87/773140687.db2.gz BZXFNILIFVYYNO-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049855 773671331 /nfs/dbraw/zinc/67/13/31/773671331.db2.gz AIKNMMLAFDCAGW-LSDHHAIUSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049855 773671332 /nfs/dbraw/zinc/67/13/32/773671332.db2.gz AIKNMMLAFDCAGW-LSDHHAIUSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC001200831140 774413947 /nfs/dbraw/zinc/41/39/47/774413947.db2.gz KDTKUZNNBRLLDX-GOEBONIOSA-N 2 2 316.405 0.286 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220272219 774752031 /nfs/dbraw/zinc/75/20/31/774752031.db2.gz VKCXMNXFHOOLMS-CVEARBPZSA-N 2 2 316.405 0.171 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@@H]1O ZINC001220272219 774752035 /nfs/dbraw/zinc/75/20/35/774752035.db2.gz VKCXMNXFHOOLMS-CVEARBPZSA-N 2 2 316.405 0.171 20 30 DCEDLP N#Cc1ccccc1OCCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220685138 774889861 /nfs/dbraw/zinc/88/98/61/774889861.db2.gz PQBZWZYHGPZNBG-PBHICJAKSA-N 2 2 314.389 0.395 20 30 DCEDLP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317605508 945108246 /nfs/dbraw/zinc/10/82/46/945108246.db2.gz HWESZMOKPLTYPW-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001267048561 939323291 /nfs/dbraw/zinc/32/32/91/939323291.db2.gz XZFBMTQTUSRWIC-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001267117242 939350185 /nfs/dbraw/zinc/35/01/85/939350185.db2.gz ORDPRQVZBPQSNY-UHFFFAOYSA-N 2 2 318.425 0.006 20 30 DCEDLP C#CCN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273101367 945253452 /nfs/dbraw/zinc/25/34/52/945253452.db2.gz RVOKHTGTPBPVQN-UHFFFAOYSA-N 2 2 305.422 0.265 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267619939 939592684 /nfs/dbraw/zinc/59/26/84/939592684.db2.gz KRWBCPKVHQOKMG-ZBFHGGJFSA-N 2 2 324.469 0.455 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267619939 939592687 /nfs/dbraw/zinc/59/26/87/939592687.db2.gz KRWBCPKVHQOKMG-ZBFHGGJFSA-N 2 2 324.469 0.455 20 30 DCEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481473536 939887689 /nfs/dbraw/zinc/88/76/89/939887689.db2.gz BQIQCEUOWAGOPJ-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481473536 939887690 /nfs/dbraw/zinc/88/76/90/939887690.db2.gz BQIQCEUOWAGOPJ-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC#CCOC ZINC001269189265 940642697 /nfs/dbraw/zinc/64/26/97/940642697.db2.gz RCKLMDRBRLIKFY-CVEARBPZSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)[nH]1 ZINC001269417223 940703651 /nfs/dbraw/zinc/70/36/51/940703651.db2.gz DXVUJGCUVNPENO-KGLIPLIRSA-N 2 2 318.425 0.195 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1nnc(C)[nH]1 ZINC001269417223 940703653 /nfs/dbraw/zinc/70/36/53/940703653.db2.gz DXVUJGCUVNPENO-KGLIPLIRSA-N 2 2 318.425 0.195 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269622616 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20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC001278728225 946127157 /nfs/dbraw/zinc/12/71/57/946127157.db2.gz GWLSOMYBFURSFA-UHFFFAOYSA-N 2 2 304.394 0.241 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001279029435 946751150 /nfs/dbraw/zinc/75/11/50/946751150.db2.gz CYSJYUZTMFJATR-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001410823848 946993381 /nfs/dbraw/zinc/99/33/81/946993381.db2.gz RCYVVSCEOUWOIX-HNNXBMFYSA-N 2 2 313.361 0.022 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCOC(C)C)C2)CC1 ZINC001324030413 947290457 /nfs/dbraw/zinc/29/04/57/947290457.db2.gz HPUHSHSMFNVPBL-UHFFFAOYSA-N 2 2 321.465 0.899 20 30 DCEDLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001324559997 947457609 /nfs/dbraw/zinc/45/76/09/947457609.db2.gz KZJMJLVUTLYOOA-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001324559997 947457617 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DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325861745 947955642 /nfs/dbraw/zinc/95/56/42/947955642.db2.gz VBEYCQMWHJIZGE-GOEBONIOSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001251850944 948082911 /nfs/dbraw/zinc/08/29/11/948082911.db2.gz AKQNIHYOTNIWNE-KRWDZBQOSA-N 2 2 310.438 0.572 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001251850944 948082922 /nfs/dbraw/zinc/08/29/22/948082922.db2.gz AKQNIHYOTNIWNE-KRWDZBQOSA-N 2 2 310.438 0.572 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001326834463 948294964 /nfs/dbraw/zinc/29/49/64/948294964.db2.gz MATQQARPPBGITA-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001326834463 948294972 /nfs/dbraw/zinc/29/49/72/948294972.db2.gz MATQQARPPBGITA-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001327003160 948360630 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0.491 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329739014 416187588 /nfs/dbraw/zinc/18/75/88/416187588.db2.gz UQUDBWTWEUIORX-VXGBXAGGSA-N 2 2 307.398 0.491 20 30 DCEDLP O=C(C[N@@H+]1CCN2C(=O)NC[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330275679 416199947 /nfs/dbraw/zinc/19/99/47/416199947.db2.gz LVOTZBXAEJNCDS-CQSZACIVSA-N 2 2 321.425 0.484 20 30 DCEDLP O=C(C[N@H+]1CCN2C(=O)NC[C@@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330275679 416199948 /nfs/dbraw/zinc/19/99/48/416199948.db2.gz LVOTZBXAEJNCDS-CQSZACIVSA-N 2 2 321.425 0.484 20 30 DCEDLP CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000330620702 416218681 /nfs/dbraw/zinc/21/86/81/416218681.db2.gz KWDOKNJNCRYVMY-ZDUSSCGKSA-N 2 2 307.398 0.482 20 30 DCEDLP CN(C)c1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000330620702 416218684 /nfs/dbraw/zinc/21/86/84/416218684.db2.gz KWDOKNJNCRYVMY-ZDUSSCGKSA-N 2 2 307.398 0.482 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)CC1 ZINC000491303263 416595215 /nfs/dbraw/zinc/59/52/15/416595215.db2.gz ALZLWIOJDMRTBO-OAHLLOKOSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)CC1 ZINC000491303263 416595218 /nfs/dbraw/zinc/59/52/18/416595218.db2.gz ALZLWIOJDMRTBO-OAHLLOKOSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000491361359 416595943 /nfs/dbraw/zinc/59/59/43/416595943.db2.gz KXINBRYOMVTEBT-UHFFFAOYSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000491361359 416595948 /nfs/dbraw/zinc/59/59/48/416595948.db2.gz KXINBRYOMVTEBT-UHFFFAOYSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000491645720 416610379 /nfs/dbraw/zinc/61/03/79/416610379.db2.gz QFUCRBYRMUDFHS-WMLDXEAASA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000491672445 416613176 /nfs/dbraw/zinc/61/31/76/416613176.db2.gz RWECCSFQVCHXPD-IAGOWNOFSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000491672445 416613182 /nfs/dbraw/zinc/61/31/82/416613182.db2.gz RWECCSFQVCHXPD-IAGOWNOFSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000490948018 416581597 /nfs/dbraw/zinc/58/15/97/416581597.db2.gz CKIQJCXQQBYRQP-HNNXBMFYSA-N 2 2 317.437 0.892 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000491164483 416588847 /nfs/dbraw/zinc/58/88/47/416588847.db2.gz CBSGHNFJXQPHGL-HZPDHXFCSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000491164483 416588852 /nfs/dbraw/zinc/58/88/52/416588852.db2.gz CBSGHNFJXQPHGL-HZPDHXFCSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491741363 416621315 /nfs/dbraw/zinc/62/13/15/416621315.db2.gz ZKIGZZBSOJZEHZ-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491741363 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C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000305800756 340389321 /nfs/dbraw/zinc/38/93/21/340389321.db2.gz HPQIXMOOHLALRY-HZPDHXFCSA-N 2 2 307.438 0.247 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131769230 341111492 /nfs/dbraw/zinc/11/14/92/341111492.db2.gz LJWNXYDZEKSWTI-ZDUSSCGKSA-N 2 2 304.350 0.547 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131769230 341111493 /nfs/dbraw/zinc/11/14/93/341111493.db2.gz LJWNXYDZEKSWTI-ZDUSSCGKSA-N 2 2 304.350 0.547 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000189399364 527000526 /nfs/dbraw/zinc/00/05/26/527000526.db2.gz ABBSANAUSBHHLW-UHFFFAOYSA-N 2 2 301.394 0.355 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000189399364 527000532 /nfs/dbraw/zinc/00/05/32/527000532.db2.gz ABBSANAUSBHHLW-UHFFFAOYSA-N 2 2 301.394 0.355 20 30 DCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001665549605 1174531128 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/nfs/dbraw/zinc/29/78/27/661297827.db2.gz LFNPLTRBYPQRPC-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641340 661714068 /nfs/dbraw/zinc/71/40/68/661714068.db2.gz DWUDHPLNYQLXTD-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641340 661714073 /nfs/dbraw/zinc/71/40/73/661714073.db2.gz DWUDHPLNYQLXTD-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985355005 662417295 /nfs/dbraw/zinc/41/72/95/662417295.db2.gz QZWIMANAUYXVDY-AWEZNQCLSA-N 2 2 315.845 0.992 20 30 DCEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985355005 662417297 /nfs/dbraw/zinc/41/72/97/662417297.db2.gz QZWIMANAUYXVDY-AWEZNQCLSA-N 2 2 315.845 0.992 20 30 DCEDLP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000985355005 662417299 /nfs/dbraw/zinc/41/72/99/662417299.db2.gz QZWIMANAUYXVDY-AWEZNQCLSA-N 2 2 315.845 0.992 20 30 DCEDLP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000985355005 662417300 /nfs/dbraw/zinc/41/73/00/662417300.db2.gz QZWIMANAUYXVDY-AWEZNQCLSA-N 2 2 315.845 0.992 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000948825703 664605151 /nfs/dbraw/zinc/60/51/51/664605151.db2.gz NXLNQFJAIPLWDN-IRXDYDNUSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000948825703 664605152 /nfs/dbraw/zinc/60/51/52/664605152.db2.gz NXLNQFJAIPLWDN-IRXDYDNUSA-N 2 2 319.449 0.655 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001670691388 1157484324 /nfs/dbraw/zinc/48/43/24/1157484324.db2.gz IDPXQKVGSZRTFT-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001670691388 1157484326 /nfs/dbraw/zinc/48/43/26/1157484326.db2.gz IDPXQKVGSZRTFT-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001670691388 1157484327 /nfs/dbraw/zinc/48/43/27/1157484327.db2.gz IDPXQKVGSZRTFT-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001670691388 1157484331 /nfs/dbraw/zinc/48/43/31/1157484331.db2.gz IDPXQKVGSZRTFT-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000915827571 664952286 /nfs/dbraw/zinc/95/22/86/664952286.db2.gz JPQIQTHNBUUBCX-OAHLLOKOSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000915827571 664952287 /nfs/dbraw/zinc/95/22/87/664952287.db2.gz JPQIQTHNBUUBCX-OAHLLOKOSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941674973 666039000 /nfs/dbraw/zinc/03/90/00/666039000.db2.gz OGUUMKVXLAYUIO-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674973 666039002 /nfs/dbraw/zinc/03/90/02/666039002.db2.gz OGUUMKVXLAYUIO-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995975085 666724891 /nfs/dbraw/zinc/72/48/91/666724891.db2.gz OAYJKQLNVQSRDP-UKRRQHHQSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001035615447 667393023 /nfs/dbraw/zinc/39/30/23/667393023.db2.gz WGDGISVUGQHCTK-QGZVFWFLSA-N 2 2 317.433 0.172 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001035615447 667393025 /nfs/dbraw/zinc/39/30/25/667393025.db2.gz WGDGISVUGQHCTK-QGZVFWFLSA-N 2 2 317.433 0.172 20 30 DCEDLP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000867972395 667522658 /nfs/dbraw/zinc/52/26/58/667522658.db2.gz ZAPHCBJWICOCHB-ZIAGYGMSSA-N 2 2 320.343 0.811 20 30 DCEDLP C#C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@@H]1CCCO1 ZINC000775572267 668865320 /nfs/dbraw/zinc/86/53/20/668865320.db2.gz QKQQUDMQDRGHJR-ROUUACIJSA-N 2 2 321.465 0.553 20 30 DCEDLP C#CC[NH+]1CCC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001006437559 670201432 /nfs/dbraw/zinc/20/14/32/670201432.db2.gz PTTWYXUGGGNGSA-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCSC3)cn2)CC1 ZINC000807999716 670384501 /nfs/dbraw/zinc/38/45/01/670384501.db2.gz VGMKWKOWJBTXBM-ZDUSSCGKSA-N 2 2 306.439 0.657 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000834488366 671763561 /nfs/dbraw/zinc/76/35/61/671763561.db2.gz BYIXLVKUDIMANV-PMPSAXMXSA-N 2 2 314.389 0.115 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000834488366 671763562 /nfs/dbraw/zinc/76/35/62/671763562.db2.gz BYIXLVKUDIMANV-PMPSAXMXSA-N 2 2 314.389 0.115 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001691634409 1158410695 /nfs/dbraw/zinc/41/06/95/1158410695.db2.gz WAIAMXIFVARPRS-UHFFFAOYSA-N 2 2 301.188 0.840 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591586 685399003 /nfs/dbraw/zinc/39/90/03/685399003.db2.gz PQHOOKWUCMWLCW-OAHLLOKOSA-N 2 2 321.469 0.459 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001020250718 693746146 /nfs/dbraw/zinc/74/61/46/693746146.db2.gz MOOZDEZUUHUMCX-DZKIICNBSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(C)on2)C1 ZINC001020250718 693746149 /nfs/dbraw/zinc/74/61/49/693746149.db2.gz MOOZDEZUUHUMCX-DZKIICNBSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CCCO)C2)CC1 ZINC000957422250 687059441 /nfs/dbraw/zinc/05/94/41/687059441.db2.gz QFCAMEHCNLHPPP-UHFFFAOYSA-N 2 2 307.438 0.247 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958180016 687412144 /nfs/dbraw/zinc/41/21/44/687412144.db2.gz WVDRAIQXPJUHGG-SWLSCSKDSA-N 2 2 300.362 0.771 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958180016 687412147 /nfs/dbraw/zinc/41/21/47/687412147.db2.gz WVDRAIQXPJUHGG-SWLSCSKDSA-N 2 2 300.362 0.771 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038698626 694165829 /nfs/dbraw/zinc/16/58/29/694165829.db2.gz IIWJLPDVQZMUBF-GJZGRUSLSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038698626 694165833 /nfs/dbraw/zinc/16/58/33/694165833.db2.gz IIWJLPDVQZMUBF-GJZGRUSLSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000968952138 690433503 /nfs/dbraw/zinc/43/35/03/690433503.db2.gz BGVORBNOKAIHGJ-ZBFHGGJFSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000968952138 690433505 /nfs/dbraw/zinc/43/35/05/690433505.db2.gz BGVORBNOKAIHGJ-ZBFHGGJFSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC000968954456 690434222 /nfs/dbraw/zinc/43/42/22/690434222.db2.gz KYXIQOJLCYCJDW-ZBFHGGJFSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC000968954456 690434224 /nfs/dbraw/zinc/43/42/24/690434224.db2.gz KYXIQOJLCYCJDW-ZBFHGGJFSA-N 2 2 316.405 0.771 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001073667466 694762877 /nfs/dbraw/zinc/76/28/77/694762877.db2.gz GXWSACCYUUUDKU-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001073667466 694762878 /nfs/dbraw/zinc/76/28/78/694762878.db2.gz GXWSACCYUUUDKU-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[NH2+][C@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001571436151 1162754371 /nfs/dbraw/zinc/75/43/71/1162754371.db2.gz SNSSFJKGFDBKSU-AWEZNQCLSA-N 2 2 300.362 0.739 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001571535719 1162800257 /nfs/dbraw/zinc/80/02/57/1162800257.db2.gz GBUJJQUQJRZZAC-LSDHHAIUSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001571535719 1162800264 /nfs/dbraw/zinc/80/02/64/1162800264.db2.gz GBUJJQUQJRZZAC-LSDHHAIUSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001772520050 1157419001 /nfs/dbraw/zinc/41/90/01/1157419001.db2.gz VTQNLJIEMMWBJK-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001750930985 1157721575 /nfs/dbraw/zinc/72/15/75/1157721575.db2.gz GEHHUBYELGDTOO-ZBFHGGJFSA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001750930985 1157721581 /nfs/dbraw/zinc/72/15/81/1157721581.db2.gz GEHHUBYELGDTOO-ZBFHGGJFSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001753870106 1158079668 /nfs/dbraw/zinc/07/96/68/1158079668.db2.gz QCUYGKFPQSBXBV-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001753870106 1158079674 /nfs/dbraw/zinc/07/96/74/1158079674.db2.gz QCUYGKFPQSBXBV-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001753870106 1158079682 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DCTDNKJYNHRBCJ-OAHLLOKOSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053584963 756104972 /nfs/dbraw/zinc/10/49/72/756104972.db2.gz AOGJQNSNJLMYET-CABCVRRESA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053584963 756104976 /nfs/dbraw/zinc/10/49/76/756104976.db2.gz AOGJQNSNJLMYET-CABCVRRESA-N 2 2 323.437 0.243 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053926557 756282024 /nfs/dbraw/zinc/28/20/24/756282024.db2.gz IBMUVXZADJZATL-GJZGRUSLSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053926557 756282030 /nfs/dbraw/zinc/28/20/30/756282030.db2.gz IBMUVXZADJZATL-GJZGRUSLSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982118 756313349 /nfs/dbraw/zinc/31/33/49/756313349.db2.gz DHPCIKKACKECHP-GJZGRUSLSA-N 2 2 305.422 0.311 20 30 DCEDLP 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ZINC001069959462 761003566 /nfs/dbraw/zinc/00/35/66/761003566.db2.gz WOAAOYBJKOKEHU-KFWWJZLASA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069959462 761003574 /nfs/dbraw/zinc/00/35/74/761003574.db2.gz WOAAOYBJKOKEHU-KFWWJZLASA-N 2 2 318.425 0.290 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400704 761397571 /nfs/dbraw/zinc/39/75/71/761397571.db2.gz RFSLXVRVDWQHAC-UGUYLWEFSA-N 2 2 315.421 0.168 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400704 761397578 /nfs/dbraw/zinc/39/75/78/761397578.db2.gz RFSLXVRVDWQHAC-UGUYLWEFSA-N 2 2 315.421 0.168 20 30 DCEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001071107630 761623468 /nfs/dbraw/zinc/62/34/68/761623468.db2.gz DRHQROGLJGWOLQ-WBVHZDCISA-N 2 2 316.405 0.502 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001086913208 768090396 /nfs/dbraw/zinc/09/03/96/768090396.db2.gz KECHIIVCHJZTGL-HOTGVXAUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001086913208 768090404 /nfs/dbraw/zinc/09/04/04/768090404.db2.gz KECHIIVCHJZTGL-HOTGVXAUSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001130452605 763321806 /nfs/dbraw/zinc/32/18/06/763321806.db2.gz JLMBKLBTPIPBFX-CYBMUJFWSA-N 2 2 314.393 0.898 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001130452605 763321811 /nfs/dbraw/zinc/32/18/11/763321811.db2.gz JLMBKLBTPIPBFX-CYBMUJFWSA-N 2 2 314.393 0.898 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482881 764661645 /nfs/dbraw/zinc/66/16/45/764661645.db2.gz NOURROOJVFOMOK-ZIAGYGMSSA-N 2 2 306.410 0.839 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482881 764661647 /nfs/dbraw/zinc/66/16/47/764661647.db2.gz NOURROOJVFOMOK-ZIAGYGMSSA-N 2 2 306.410 0.839 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482703 764662070 /nfs/dbraw/zinc/66/20/70/764662070.db2.gz FUPOFVGUESJSKJ-ZIAGYGMSSA-N 2 2 304.394 0.286 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482703 764662078 /nfs/dbraw/zinc/66/20/78/764662078.db2.gz FUPOFVGUESJSKJ-ZIAGYGMSSA-N 2 2 304.394 0.286 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1nccn12 ZINC001092354281 768270512 /nfs/dbraw/zinc/27/05/12/768270512.db2.gz GKQDHNANPKKXCT-KGLIPLIRSA-N 2 2 315.421 0.735 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1nccn12 ZINC001092354281 768270515 /nfs/dbraw/zinc/27/05/15/768270515.db2.gz GKQDHNANPKKXCT-KGLIPLIRSA-N 2 2 315.421 0.735 20 30 DCEDLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001134406891 765508486 /nfs/dbraw/zinc/50/84/86/765508486.db2.gz GZLGSGMURUAOKO-UHFFFAOYSA-N 2 2 300.337 0.849 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086734523 765941054 /nfs/dbraw/zinc/94/10/54/765941054.db2.gz KEMCKFYKYHCPRO-RRFJBIMHSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001091201164 767028096 /nfs/dbraw/zinc/02/80/96/767028096.db2.gz CYKKAKYIOLYQII-DQPZFDDXSA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001091201164 767028103 /nfs/dbraw/zinc/02/81/03/767028103.db2.gz CYKKAKYIOLYQII-DQPZFDDXSA-N 2 2 319.449 0.747 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203058820 768542357 /nfs/dbraw/zinc/54/23/57/768542357.db2.gz MUEIQKMPIHYLEM-GFCCVEGCSA-N 2 2 319.409 0.224 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595500 769134503 /nfs/dbraw/zinc/13/45/03/769134503.db2.gz AIAHTQRJEUPICQ-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595500 769134507 /nfs/dbraw/zinc/13/45/07/769134507.db2.gz AIAHTQRJEUPICQ-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150652842 769151857 /nfs/dbraw/zinc/15/18/57/769151857.db2.gz FHKXODJLZRESPZ-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150652842 769151860 /nfs/dbraw/zinc/15/18/60/769151860.db2.gz FHKXODJLZRESPZ-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2=O)C1 ZINC001094783601 769274854 /nfs/dbraw/zinc/27/48/54/769274854.db2.gz SQNHSWQCJRGQMR-KGLIPLIRSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2=O)C1 ZINC001094783601 769274864 /nfs/dbraw/zinc/27/48/64/769274864.db2.gz SQNHSWQCJRGQMR-KGLIPLIRSA-N 2 2 320.437 0.058 20 30 DCEDLP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3COC[C@H]3[NH3+])CC2)cc1 ZINC001173426182 769627360 /nfs/dbraw/zinc/62/73/60/769627360.db2.gz RZVWIIIGRIAQHA-HZPDHXFCSA-N 2 2 314.389 0.479 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234392534 769646059 /nfs/dbraw/zinc/64/60/59/769646059.db2.gz MEUKKHZQHGPYGR-RBSFLKMASA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234392534 769646064 /nfs/dbraw/zinc/64/60/64/769646064.db2.gz MEUKKHZQHGPYGR-RBSFLKMASA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234392534 769646069 /nfs/dbraw/zinc/64/60/69/769646069.db2.gz MEUKKHZQHGPYGR-RBSFLKMASA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234392534 769646077 /nfs/dbraw/zinc/64/60/77/769646077.db2.gz MEUKKHZQHGPYGR-RBSFLKMASA-N 2 2 322.453 0.162 20 30 DCEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422236 770174980 /nfs/dbraw/zinc/17/49/80/770174980.db2.gz IFPFFQLLDLTKIW-OAHLLOKOSA-N 2 2 320.437 0.829 20 30 DCEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422236 770174986 /nfs/dbraw/zinc/17/49/86/770174986.db2.gz IFPFFQLLDLTKIW-OAHLLOKOSA-N 2 2 320.437 0.829 20 30 DCEDLP N#Cc1cc(Cl)nnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372728 770480336 /nfs/dbraw/zinc/48/03/36/770480336.db2.gz JQXYWPFPVSGJBU-LBPRGKRZSA-N 2 2 306.801 0.861 20 30 DCEDLP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677523 770893343 /nfs/dbraw/zinc/89/33/43/770893343.db2.gz XMLVVGONZVKLJQ-OAHLLOKOSA-N 2 2 320.437 0.829 20 30 DCEDLP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677523 770893354 /nfs/dbraw/zinc/89/33/54/770893354.db2.gz XMLVVGONZVKLJQ-OAHLLOKOSA-N 2 2 320.437 0.829 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001160197634 772006544 /nfs/dbraw/zinc/00/65/44/772006544.db2.gz BFQOPGQPGSVNCW-ZDUSSCGKSA-N 2 2 305.382 0.072 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001160197634 772006549 /nfs/dbraw/zinc/00/65/49/772006549.db2.gz BFQOPGQPGSVNCW-ZDUSSCGKSA-N 2 2 305.382 0.072 20 30 DCEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070987 772716272 /nfs/dbraw/zinc/71/62/72/772716272.db2.gz UTTUOZNKXGNHQU-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070987 772716276 /nfs/dbraw/zinc/71/62/76/772716276.db2.gz UTTUOZNKXGNHQU-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244392 773167518 /nfs/dbraw/zinc/16/75/18/773167518.db2.gz OFOPZRQPKYQJQP-RBSFLKMASA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001194244392 773167519 /nfs/dbraw/zinc/16/75/19/773167519.db2.gz OFOPZRQPKYQJQP-RBSFLKMASA-N 2 2 318.421 0.573 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252482 773415069 /nfs/dbraw/zinc/41/50/69/773415069.db2.gz NRVSLOYTWGQKTD-HUUCEWRRSA-N 2 2 304.394 0.360 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252482 773415074 /nfs/dbraw/zinc/41/50/74/773415074.db2.gz NRVSLOYTWGQKTD-HUUCEWRRSA-N 2 2 304.394 0.360 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848445 773533122 /nfs/dbraw/zinc/53/31/22/773533122.db2.gz FIMZOZZAHDFUJZ-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284869 773694802 /nfs/dbraw/zinc/69/48/02/773694802.db2.gz UMVITDREWWGZJH-UKRRQHHQSA-N 2 2 306.410 0.602 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284869 773694807 /nfs/dbraw/zinc/69/48/07/773694807.db2.gz UMVITDREWWGZJH-UKRRQHHQSA-N 2 2 306.410 0.602 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001215006174 774032754 /nfs/dbraw/zinc/03/27/54/774032754.db2.gz UOTRERSQEIRWOU-QLFBSQMISA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200367010 774330858 /nfs/dbraw/zinc/33/08/58/774330858.db2.gz KHPJDXZWSBIQDS-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200839321 774413973 /nfs/dbraw/zinc/41/39/73/774413973.db2.gz BEICWYDNIGXEDE-HUUCEWRRSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201610989 774532628 /nfs/dbraw/zinc/53/26/28/774532628.db2.gz BVKATYYVPQAYJQ-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201610989 774532632 /nfs/dbraw/zinc/53/26/32/774532632.db2.gz BVKATYYVPQAYJQ-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201725880 774544477 /nfs/dbraw/zinc/54/44/77/774544477.db2.gz GJFKRRBDVRYMSX-CQSZACIVSA-N 2 2 322.409 0.362 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)[C@@H](O)C1 ZINC001220746434 774907148 /nfs/dbraw/zinc/90/71/48/774907148.db2.gz AEIOZNACEPKHGA-IXDOHACOSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@@H](O)C1 ZINC001220746434 774907153 /nfs/dbraw/zinc/90/71/53/774907153.db2.gz AEIOZNACEPKHGA-IXDOHACOSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746434 774907156 /nfs/dbraw/zinc/90/71/56/774907156.db2.gz AEIOZNACEPKHGA-IXDOHACOSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746434 774907160 /nfs/dbraw/zinc/90/71/60/774907160.db2.gz AEIOZNACEPKHGA-IXDOHACOSA-N 2 2 315.417 0.474 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888705 774944207 /nfs/dbraw/zinc/94/42/07/774944207.db2.gz UCWGNIJZHKMMIP-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888705 774944211 /nfs/dbraw/zinc/94/42/11/774944211.db2.gz UCWGNIJZHKMMIP-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095915853 776316113 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20 30 DCEDLP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001506839258 1017600887 /nfs/dbraw/zinc/60/08/87/1017600887.db2.gz NIYRRXRTZYDHLR-KBPBESRZSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)Cc1cnon1 ZINC001479845879 1017878298 /nfs/dbraw/zinc/87/82/98/1017878298.db2.gz YTHFVTAUWCDMIM-HNNXBMFYSA-N 2 2 319.409 0.495 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)Cc1cnon1 ZINC001479845879 1017878318 /nfs/dbraw/zinc/87/83/18/1017878318.db2.gz YTHFVTAUWCDMIM-HNNXBMFYSA-N 2 2 319.409 0.495 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1cnon1 ZINC001479845879 1017878336 /nfs/dbraw/zinc/87/83/36/1017878336.db2.gz YTHFVTAUWCDMIM-HNNXBMFYSA-N 2 2 319.409 0.495 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)Cc1cnon1 ZINC001479845879 1017878350 /nfs/dbraw/zinc/87/83/50/1017878350.db2.gz YTHFVTAUWCDMIM-HNNXBMFYSA-N 2 2 319.409 0.495 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001479939701 1018011383 /nfs/dbraw/zinc/01/13/83/1018011383.db2.gz DXTGBKAEIAUKRA-INIZCTEOSA-N 2 2 306.454 0.085 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479939701 1018011397 /nfs/dbraw/zinc/01/13/97/1018011397.db2.gz DXTGBKAEIAUKRA-INIZCTEOSA-N 2 2 306.454 0.085 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494782950 1018023741 /nfs/dbraw/zinc/02/37/41/1018023741.db2.gz WFJYNNVEBWOHDR-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001494782950 1018023756 /nfs/dbraw/zinc/02/37/56/1018023756.db2.gz WFJYNNVEBWOHDR-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480332567 1018436535 /nfs/dbraw/zinc/43/65/35/1018436535.db2.gz MIYJDTMGTKPCOG-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480332567 1018436540 /nfs/dbraw/zinc/43/65/40/1018436540.db2.gz MIYJDTMGTKPCOG-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495883873 1018817969 /nfs/dbraw/zinc/81/79/69/1018817969.db2.gz OIYQUOGEUKCOKY-OAHLLOKOSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495883873 1018817985 /nfs/dbraw/zinc/81/79/85/1018817985.db2.gz OIYQUOGEUKCOKY-OAHLLOKOSA-N 2 2 306.410 0.975 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001501121031 1018901353 /nfs/dbraw/zinc/90/13/53/1018901353.db2.gz AKNVWKQDHTWAHT-DZGCQCFKSA-N 2 2 301.390 0.950 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001502062489 1019674172 /nfs/dbraw/zinc/67/41/72/1019674172.db2.gz PIIUPHLAEQVBRL-HOCLYGCPSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494137752 1020011706 /nfs/dbraw/zinc/01/17/06/1020011706.db2.gz OTNNCOVVKINPGI-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001494137752 1020011720 /nfs/dbraw/zinc/01/17/20/1020011720.db2.gz OTNNCOVVKINPGI-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494137752 1020011732 /nfs/dbraw/zinc/01/17/32/1020011732.db2.gz OTNNCOVVKINPGI-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001494137752 1020011743 /nfs/dbraw/zinc/01/17/43/1020011743.db2.gz OTNNCOVVKINPGI-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000490800442 241104228 /nfs/dbraw/zinc/10/42/28/241104228.db2.gz QWLGCWPHPQVPLD-UHFFFAOYSA-N 2 2 315.421 0.297 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000491253113 241112430 /nfs/dbraw/zinc/11/24/30/241112430.db2.gz LWNFLANGIBLKHJ-FUHWJXTLSA-N 2 2 319.449 0.151 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC3(CC(OCC)C3)C2)CC1 ZINC000491621800 241126737 /nfs/dbraw/zinc/12/67/37/241126737.db2.gz DLUULTYHNCJMMM-UHFFFAOYSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC3(CC(OCC)C3)C2)CC1 ZINC000491621800 241126743 /nfs/dbraw/zinc/12/67/43/241126743.db2.gz DLUULTYHNCJMMM-UHFFFAOYSA-N 2 2 319.449 0.655 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000264120026 396256070 /nfs/dbraw/zinc/25/60/70/396256070.db2.gz LZOSOXQNGHZNLK-CQSZACIVSA-N 2 2 310.442 0.163 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716968 396650650 /nfs/dbraw/zinc/65/06/50/396650650.db2.gz NQDMCTUTMMBWJT-JKSUJKDBSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716968 396650654 /nfs/dbraw/zinc/65/06/54/396650654.db2.gz NQDMCTUTMMBWJT-JKSUJKDBSA-N 2 2 322.453 0.934 20 30 DCEDLP C[N@@H+]1CCN(c2ncc(Br)cc2C#N)[C@H](C[NH3+])C1 ZINC000311152392 396759373 /nfs/dbraw/zinc/75/93/73/396759373.db2.gz NMKWTANXSZGUSR-LLVKDONJSA-N 2 2 310.199 0.795 20 30 DCEDLP C[N@H+]1CCN(c2ncc(Br)cc2C#N)[C@H](C[NH3+])C1 ZINC000311152392 396759376 /nfs/dbraw/zinc/75/93/76/396759376.db2.gz NMKWTANXSZGUSR-LLVKDONJSA-N 2 2 310.199 0.795 20 30 DCEDLP CN(CCC#N)C[C@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000591733608 396994487 /nfs/dbraw/zinc/99/44/87/396994487.db2.gz ABOCZIPAZHXBEC-MRXNPFEDSA-N 2 2 324.469 0.427 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334058887 415797106 /nfs/dbraw/zinc/79/71/06/415797106.db2.gz QVQXFIXTVKXFHH-VXGBXAGGSA-N 2 2 305.382 0.989 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334058887 415797112 /nfs/dbraw/zinc/79/71/12/415797112.db2.gz QVQXFIXTVKXFHH-VXGBXAGGSA-N 2 2 305.382 0.989 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000158749456 416002746 /nfs/dbraw/zinc/00/27/46/416002746.db2.gz KVUIFKHEJGLVOV-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158749456 416002750 /nfs/dbraw/zinc/00/27/50/416002750.db2.gz KVUIFKHEJGLVOV-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158749456 416002755 /nfs/dbraw/zinc/00/27/55/416002755.db2.gz KVUIFKHEJGLVOV-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000158749456 416002758 /nfs/dbraw/zinc/00/27/58/416002758.db2.gz KVUIFKHEJGLVOV-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000170628867 416026630 /nfs/dbraw/zinc/02/66/30/416026630.db2.gz VODZFXCJCYZDOK-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000170628867 416026631 /nfs/dbraw/zinc/02/66/31/416026631.db2.gz VODZFXCJCYZDOK-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329774641 416190776 /nfs/dbraw/zinc/19/07/76/416190776.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 2 311.474 0.465 20 30 DCEDLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000329774641 416190779 /nfs/dbraw/zinc/19/07/79/416190779.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 2 311.474 0.465 20 30 DCEDLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329774641 416190781 /nfs/dbraw/zinc/19/07/81/416190781.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 2 311.474 0.465 20 30 DCEDLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000329774641 416190784 /nfs/dbraw/zinc/19/07/84/416190784.db2.gz MJFLWQVEOLMVRC-KFWWJZLASA-N 2 2 311.474 0.465 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247920214 416333167 /nfs/dbraw/zinc/33/31/67/416333167.db2.gz BBEODCWARAZHOJ-MELADBBJSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247920214 416333168 /nfs/dbraw/zinc/33/31/68/416333168.db2.gz BBEODCWARAZHOJ-MELADBBJSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247920214 416333169 /nfs/dbraw/zinc/33/31/69/416333169.db2.gz BBEODCWARAZHOJ-MELADBBJSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247920214 416333170 /nfs/dbraw/zinc/33/31/70/416333170.db2.gz BBEODCWARAZHOJ-MELADBBJSA-N 2 2 308.426 0.803 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000491638041 416607848 /nfs/dbraw/zinc/60/78/48/416607848.db2.gz ZESOEMMIQVYOFG-UAGQMJEPSA-N 2 2 317.433 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CC(C)C)CC2)CC1 ZINC000490741507 416575119 /nfs/dbraw/zinc/57/51/19/416575119.db2.gz SDXOVMKDOKQTMO-UHFFFAOYSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000490899835 416579201 /nfs/dbraw/zinc/57/92/01/416579201.db2.gz PWBFFHYWIZHXCQ-HZPDHXFCSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000490899835 416579204 /nfs/dbraw/zinc/57/92/04/416579204.db2.gz PWBFFHYWIZHXCQ-HZPDHXFCSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000491044239 416583434 /nfs/dbraw/zinc/58/34/34/416583434.db2.gz GJZDDWNNIKKMME-QGZVFWFLSA-N 2 2 307.438 0.248 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000491044239 416583437 /nfs/dbraw/zinc/58/34/37/416583437.db2.gz GJZDDWNNIKKMME-QGZVFWFLSA-N 2 2 307.438 0.248 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000491041231 416583730 /nfs/dbraw/zinc/58/37/30/416583730.db2.gz YGFIMBUADIYEMG-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000491764533 416626185 /nfs/dbraw/zinc/62/61/85/416626185.db2.gz ANXXTXYCGHQCPJ-HOTGVXAUSA-N 2 2 321.465 0.946 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000369671410 416815281 /nfs/dbraw/zinc/81/52/81/416815281.db2.gz HADKANIOAXWVAV-CQSZACIVSA-N 2 2 304.394 0.647 20 30 DCEDLP CN(C(=O)CSCC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830693 416905061 /nfs/dbraw/zinc/90/50/61/416905061.db2.gz ORDHNVIFGWKENS-AWEZNQCLSA-N 2 2 310.467 0.870 20 30 DCEDLP CN(C(=O)CSCC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830693 416905067 /nfs/dbraw/zinc/90/50/67/416905067.db2.gz ORDHNVIFGWKENS-AWEZNQCLSA-N 2 2 310.467 0.870 20 30 DCEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000375678267 417006477 /nfs/dbraw/zinc/00/64/77/417006477.db2.gz SHPYWTGJCNKFKQ-OAHLLOKOSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000375678267 417006483 /nfs/dbraw/zinc/00/64/83/417006483.db2.gz SHPYWTGJCNKFKQ-OAHLLOKOSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000375678267 417006485 /nfs/dbraw/zinc/00/64/85/417006485.db2.gz SHPYWTGJCNKFKQ-OAHLLOKOSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000375678267 417006491 /nfs/dbraw/zinc/00/64/91/417006491.db2.gz SHPYWTGJCNKFKQ-OAHLLOKOSA-N 2 2 309.454 0.803 20 30 DCEDLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418477674 262278491 /nfs/dbraw/zinc/27/84/91/262278491.db2.gz VRKCMRVBZZEUNQ-CQSZACIVSA-N 2 2 315.421 0.980 20 30 DCEDLP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261656055 276840451 /nfs/dbraw/zinc/84/04/51/276840451.db2.gz ADWGIFLZHMEFGJ-CHWSQXEVSA-N 2 2 306.414 0.430 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CCC[C@@H]2C)CC1 ZINC000491484923 333108474 /nfs/dbraw/zinc/10/84/74/333108474.db2.gz LRQUTLVXIGRZHD-IRXDYDNUSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@H]2CCC[C@@H]2C)CC1 ZINC000491484923 333108476 /nfs/dbraw/zinc/10/84/76/333108476.db2.gz LRQUTLVXIGRZHD-IRXDYDNUSA-N 2 2 321.465 0.901 20 30 DCEDLP Cc1nc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000329817657 336085545 /nfs/dbraw/zinc/08/55/45/336085545.db2.gz WUQZQAYXZZITTQ-UHFFFAOYSA-N 2 2 324.429 0.750 20 30 DCEDLP Cc1nc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000329817657 336085546 /nfs/dbraw/zinc/08/55/46/336085546.db2.gz WUQZQAYXZZITTQ-UHFFFAOYSA-N 2 2 324.429 0.750 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000491715675 339876039 /nfs/dbraw/zinc/87/60/39/339876039.db2.gz KZOJHXIAZARYHJ-FUHWJXTLSA-N 2 2 323.481 0.643 20 30 DCEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC(=O)NCC#N)c2cc1C ZINC000566674174 341564827 /nfs/dbraw/zinc/56/48/27/341564827.db2.gz CCZDLRQOIKXJKV-ZDUSSCGKSA-N 2 2 315.377 0.243 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179080329 526355959 /nfs/dbraw/zinc/35/59/59/526355959.db2.gz FGZBFXLBXJBYGU-INIZCTEOSA-N 3 2 323.485 0.312 20 30 DCEDLP C[NH+]=C(NCCn1cncn1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261951079 526368674 /nfs/dbraw/zinc/36/86/74/526368674.db2.gz HKJHZCCCJKNHNV-KBPBESRZSA-N 2 2 316.413 0.633 20 30 DCEDLP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000328836642 546040145 /nfs/dbraw/zinc/04/01/45/546040145.db2.gz SQYCKICRWMPJPT-KFWWJZLASA-N 2 2 310.442 0.838 20 30 DCEDLP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCOCC1 ZINC000328836642 546040147 /nfs/dbraw/zinc/04/01/47/546040147.db2.gz SQYCKICRWMPJPT-KFWWJZLASA-N 2 2 310.442 0.838 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001667581164 1174692667 /nfs/dbraw/zinc/69/26/67/1174692667.db2.gz YKJIMSOKQFXSOM-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001667581164 1174692670 /nfs/dbraw/zinc/69/26/70/1174692670.db2.gz YKJIMSOKQFXSOM-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001667581164 1174692672 /nfs/dbraw/zinc/69/26/72/1174692672.db2.gz YKJIMSOKQFXSOM-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001667581164 1174692675 /nfs/dbraw/zinc/69/26/75/1174692675.db2.gz YKJIMSOKQFXSOM-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970440654 657516440 /nfs/dbraw/zinc/51/64/40/657516440.db2.gz UNIITQJDFOUAKS-BPLDGKMQSA-N 2 2 300.406 0.983 20 30 DCEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023117510 657529519 /nfs/dbraw/zinc/52/95/19/657529519.db2.gz URUHHUBYEJSHOJ-OWCLPIDISA-N 2 2 307.438 0.910 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519809 657557110 /nfs/dbraw/zinc/55/71/10/657557110.db2.gz ZAWKQBLDJKDUBW-XYJFISCASA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519809 657557114 /nfs/dbraw/zinc/55/71/14/657557114.db2.gz ZAWKQBLDJKDUBW-XYJFISCASA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519809 657557118 /nfs/dbraw/zinc/55/71/18/657557118.db2.gz ZAWKQBLDJKDUBW-XYJFISCASA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519809 657557123 /nfs/dbraw/zinc/55/71/23/657557123.db2.gz ZAWKQBLDJKDUBW-XYJFISCASA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC1([NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCC1 ZINC000933299033 658726512 /nfs/dbraw/zinc/72/65/12/658726512.db2.gz NULREBGUKRLNAQ-UHFFFAOYSA-N 2 2 307.438 0.749 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413068 658738777 /nfs/dbraw/zinc/73/87/77/658738777.db2.gz DJPBFEZFEJWMLU-FUHWJXTLSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413068 658738780 /nfs/dbraw/zinc/73/87/80/658738780.db2.gz DJPBFEZFEJWMLU-FUHWJXTLSA-N 2 2 319.449 0.653 20 30 DCEDLP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021081053 658755216 /nfs/dbraw/zinc/75/52/16/658755216.db2.gz URUHHUBYEJSHOJ-JYJNAYRXSA-N 2 2 307.438 0.910 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001022117996 658874708 /nfs/dbraw/zinc/87/47/08/658874708.db2.gz LBPSKWJQJBRVIC-TYNCELHUSA-N 2 2 301.394 0.660 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001022117996 658874715 /nfs/dbraw/zinc/87/47/15/658874715.db2.gz LBPSKWJQJBRVIC-TYNCELHUSA-N 2 2 301.394 0.660 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC)CC1(C)C ZINC000974687668 659620063 /nfs/dbraw/zinc/62/00/63/659620063.db2.gz WGMJAHSBNBBBJW-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOC)CC1(C)C ZINC000974687668 659620064 /nfs/dbraw/zinc/62/00/64/659620064.db2.gz WGMJAHSBNBBBJW-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)CC1(C)C ZINC000974687668 659620066 /nfs/dbraw/zinc/62/00/66/659620066.db2.gz WGMJAHSBNBBBJW-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOC)CC1(C)C ZINC000974687668 659620067 /nfs/dbraw/zinc/62/00/67/659620067.db2.gz WGMJAHSBNBBBJW-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000115495 665745808 /nfs/dbraw/zinc/74/58/08/665745808.db2.gz CPGSZXHEIVCXTB-OAHLLOKOSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000949216867 661390829 /nfs/dbraw/zinc/39/08/29/661390829.db2.gz CLEGPNIKGGQDME-UHFFFAOYSA-N 2 2 316.405 0.669 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906075 661881516 /nfs/dbraw/zinc/88/15/16/661881516.db2.gz CLRHOOPUDVJFHG-CQSZACIVSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001028906075 661881521 /nfs/dbraw/zinc/88/15/21/661881521.db2.gz CLRHOOPUDVJFHG-CQSZACIVSA-N 2 2 309.373 0.952 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262820027 662585820 /nfs/dbraw/zinc/58/58/20/662585820.db2.gz XUZOSQXBDVMEME-ZDUSSCGKSA-N 3 2 311.499 0.437 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262820027 662585822 /nfs/dbraw/zinc/58/58/22/662585822.db2.gz XUZOSQXBDVMEME-ZDUSSCGKSA-N 3 2 311.499 0.437 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920472 665905304 /nfs/dbraw/zinc/90/53/04/665905304.db2.gz GXTROYZLTVFFPY-KRWDZBQOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920472 665905306 /nfs/dbraw/zinc/90/53/06/665905306.db2.gz GXTROYZLTVFFPY-KRWDZBQOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990120444 663005557 /nfs/dbraw/zinc/00/55/57/663005557.db2.gz HHMOUAGCNSYZRT-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990120444 663005558 /nfs/dbraw/zinc/00/55/58/663005558.db2.gz HHMOUAGCNSYZRT-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990120444 663005560 /nfs/dbraw/zinc/00/55/60/663005560.db2.gz HHMOUAGCNSYZRT-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990120444 663005561 /nfs/dbraw/zinc/00/55/61/663005561.db2.gz HHMOUAGCNSYZRT-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941391742 665985021 /nfs/dbraw/zinc/98/50/21/665985021.db2.gz GFQCMAXHLAONBM-UHFFFAOYSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000730277414 664674685 /nfs/dbraw/zinc/67/46/85/664674685.db2.gz SFWUFCJFNHKKJC-SJORKVTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000730277414 664674686 /nfs/dbraw/zinc/67/46/86/664674686.db2.gz SFWUFCJFNHKKJC-SJORKVTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000730277414 664674687 /nfs/dbraw/zinc/67/46/87/664674687.db2.gz SFWUFCJFNHKKJC-SJORKVTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000730277414 664674688 /nfs/dbraw/zinc/67/46/88/664674688.db2.gz SFWUFCJFNHKKJC-SJORKVTESA-N 2 2 319.449 0.797 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688973 665289675 /nfs/dbraw/zinc/28/96/75/665289675.db2.gz OTKILLMXCIJDMH-UONOGXRCSA-N 2 2 313.829 0.650 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688973 665289676 /nfs/dbraw/zinc/28/96/76/665289676.db2.gz OTKILLMXCIJDMH-UONOGXRCSA-N 2 2 313.829 0.650 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997979279 665381992 /nfs/dbraw/zinc/38/19/92/665381992.db2.gz VRRMSISQLWHILN-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997979279 665381993 /nfs/dbraw/zinc/38/19/93/665381993.db2.gz VRRMSISQLWHILN-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997979279 665381996 /nfs/dbraw/zinc/38/19/96/665381996.db2.gz VRRMSISQLWHILN-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997979279 665381998 /nfs/dbraw/zinc/38/19/98/665381998.db2.gz VRRMSISQLWHILN-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996683502 666859815 /nfs/dbraw/zinc/85/98/15/666859815.db2.gz DEHOIHMQBMKOMP-HNNXBMFYSA-N 2 2 317.393 0.248 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996683502 666859819 /nfs/dbraw/zinc/85/98/19/666859819.db2.gz DEHOIHMQBMKOMP-HNNXBMFYSA-N 2 2 317.393 0.248 20 30 DCEDLP C#CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035246984 667276277 /nfs/dbraw/zinc/27/62/77/667276277.db2.gz RKAHCUOVVQSZIV-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035246984 667276279 /nfs/dbraw/zinc/27/62/79/667276279.db2.gz RKAHCUOVVQSZIV-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001035584711 667384708 /nfs/dbraw/zinc/38/47/08/667384708.db2.gz ZEBFHCLZVRUMKC-CQSZACIVSA-N 2 2 316.405 0.602 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001035584711 667384709 /nfs/dbraw/zinc/38/47/09/667384709.db2.gz ZEBFHCLZVRUMKC-CQSZACIVSA-N 2 2 316.405 0.602 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884077320 667470058 /nfs/dbraw/zinc/47/00/58/667470058.db2.gz ICMMAHLFWLEJCB-MRXNPFEDSA-N 2 2 322.453 0.496 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000884077320 667470061 /nfs/dbraw/zinc/47/00/61/667470061.db2.gz ICMMAHLFWLEJCB-MRXNPFEDSA-N 2 2 322.453 0.496 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000928648969 668611579 /nfs/dbraw/zinc/61/15/79/668611579.db2.gz FFDCKOSSMIWSET-UHFFFAOYSA-N 2 2 300.406 0.976 20 30 DCEDLP C=C(C)C[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000883390466 669677534 /nfs/dbraw/zinc/67/75/34/669677534.db2.gz MNTNAFLMHMPGQA-KRWDZBQOSA-N 2 2 311.470 0.700 20 30 DCEDLP C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000883416718 669682307 /nfs/dbraw/zinc/68/23/07/669682307.db2.gz CHGQLZUDCQBGKT-HUUCEWRRSA-N 2 2 324.469 0.781 20 30 DCEDLP C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000883416718 669682310 /nfs/dbraw/zinc/68/23/10/669682310.db2.gz CHGQLZUDCQBGKT-HUUCEWRRSA-N 2 2 324.469 0.781 20 30 DCEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000949509977 670357472 /nfs/dbraw/zinc/35/74/72/670357472.db2.gz ZTFQQBDQNWTCJU-UHFFFAOYSA-N 2 2 318.421 0.842 20 30 DCEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000949509977 670357476 /nfs/dbraw/zinc/35/74/76/670357476.db2.gz ZTFQQBDQNWTCJU-UHFFFAOYSA-N 2 2 318.421 0.842 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949511983 670358334 /nfs/dbraw/zinc/35/83/34/670358334.db2.gz BARGHZDOUREYBG-UHFFFAOYSA-N 2 2 317.433 0.409 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000949511983 670358336 /nfs/dbraw/zinc/35/83/36/670358336.db2.gz BARGHZDOUREYBG-UHFFFAOYSA-N 2 2 317.433 0.409 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960519967 688403209 /nfs/dbraw/zinc/40/32/09/688403209.db2.gz OAEXMLRIBYKUCW-FICVDOATSA-N 2 2 300.406 0.996 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960519967 688403212 /nfs/dbraw/zinc/40/32/12/688403212.db2.gz OAEXMLRIBYKUCW-FICVDOATSA-N 2 2 300.406 0.996 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038812122 694198763 /nfs/dbraw/zinc/19/87/63/694198763.db2.gz YQLYLFPQTKZVEA-HNNXBMFYSA-N 2 2 303.410 0.272 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038812122 694198765 /nfs/dbraw/zinc/19/87/65/694198765.db2.gz YQLYLFPQTKZVEA-HNNXBMFYSA-N 2 2 303.410 0.272 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000961372668 688603634 /nfs/dbraw/zinc/60/36/34/688603634.db2.gz PAYRPAHNYIBWJJ-VVLHAWIVSA-N 2 2 319.449 0.720 20 30 DCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000961372668 688603637 /nfs/dbraw/zinc/60/36/37/688603637.db2.gz PAYRPAHNYIBWJJ-VVLHAWIVSA-N 2 2 319.449 0.720 20 30 DCEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000961372668 688603639 /nfs/dbraw/zinc/60/36/39/688603639.db2.gz PAYRPAHNYIBWJJ-VVLHAWIVSA-N 2 2 319.449 0.720 20 30 DCEDLP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000961372668 688603642 /nfs/dbraw/zinc/60/36/42/688603642.db2.gz PAYRPAHNYIBWJJ-VVLHAWIVSA-N 2 2 319.449 0.720 20 30 DCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001017847976 692997286 /nfs/dbraw/zinc/99/72/86/692997286.db2.gz WLXSZJRQILSHAB-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001017847976 692997289 /nfs/dbraw/zinc/99/72/89/692997289.db2.gz WLXSZJRQILSHAB-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001017847976 692997291 /nfs/dbraw/zinc/99/72/91/692997291.db2.gz WLXSZJRQILSHAB-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001017847976 692997295 /nfs/dbraw/zinc/99/72/95/692997295.db2.gz WLXSZJRQILSHAB-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065648 693038007 /nfs/dbraw/zinc/03/80/07/693038007.db2.gz VBYWKHFSTAPBEN-IYBDPMFKSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065648 693038012 /nfs/dbraw/zinc/03/80/12/693038012.db2.gz VBYWKHFSTAPBEN-IYBDPMFKSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073665629 694762421 /nfs/dbraw/zinc/76/24/21/694762421.db2.gz ZOYLISNLPZGLHI-GOEBONIOSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073665629 694762422 /nfs/dbraw/zinc/76/24/22/694762422.db2.gz ZOYLISNLPZGLHI-GOEBONIOSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667504 694762869 /nfs/dbraw/zinc/76/28/69/694762869.db2.gz HXPRHRGMRHJAFZ-AWEZNQCLSA-N 2 2 320.393 0.190 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001073667504 694762871 /nfs/dbraw/zinc/76/28/71/694762871.db2.gz HXPRHRGMRHJAFZ-AWEZNQCLSA-N 2 2 320.393 0.190 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nonc1C ZINC001570460625 1162522982 /nfs/dbraw/zinc/52/29/82/1162522982.db2.gz WIPVBQWOZFWDNJ-WFASDCNBSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nonc1C ZINC001570460625 1162522990 /nfs/dbraw/zinc/52/29/90/1162522990.db2.gz WIPVBQWOZFWDNJ-WFASDCNBSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOC)C(C)(C)C ZINC001571626145 1162866436 /nfs/dbraw/zinc/86/64/36/1162866436.db2.gz RTVVSAIPUNJKES-GJZGRUSLSA-N 2 2 309.454 0.851 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCOC)C(C)(C)C ZINC001571626145 1162866444 /nfs/dbraw/zinc/86/64/44/1162866444.db2.gz RTVVSAIPUNJKES-GJZGRUSLSA-N 2 2 309.454 0.851 20 30 DCEDLP C#CCC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001754969338 1157901042 /nfs/dbraw/zinc/90/10/42/1157901042.db2.gz WUUPZKFXGLRHJS-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001754969338 1157901046 /nfs/dbraw/zinc/90/10/46/1157901046.db2.gz WUUPZKFXGLRHJS-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754969338 1157901050 /nfs/dbraw/zinc/90/10/50/1157901050.db2.gz WUUPZKFXGLRHJS-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001754969338 1157901053 /nfs/dbraw/zinc/90/10/53/1157901053.db2.gz WUUPZKFXGLRHJS-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001752470696 1158012104 /nfs/dbraw/zinc/01/21/04/1158012104.db2.gz ICAQOHGSFQTYFD-HUUCEWRRSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691506882 1158118691 /nfs/dbraw/zinc/11/86/91/1158118691.db2.gz ZANLQBUUQAJRBS-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)CCc1[nH+]ccn1C ZINC001732788592 1158168372 /nfs/dbraw/zinc/16/83/72/1158168372.db2.gz JDOOEACXJVWDET-UHFFFAOYSA-N 2 2 306.410 0.441 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001670825137 1158266606 /nfs/dbraw/zinc/26/66/06/1158266606.db2.gz WZLOTLKTCHLOCH-UHFFFAOYSA-N 2 2 304.394 0.241 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001567511577 1160402734 /nfs/dbraw/zinc/40/27/34/1160402734.db2.gz ZNEMBVCUSMPFPZ-OCCSQVGLSA-N 2 2 319.409 0.585 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001567511577 1160402738 /nfs/dbraw/zinc/40/27/38/1160402738.db2.gz ZNEMBVCUSMPFPZ-OCCSQVGLSA-N 2 2 319.409 0.585 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567742592 1160470267 /nfs/dbraw/zinc/47/02/67/1160470267.db2.gz ONOBIPOJSKEQDA-HNNXBMFYSA-N 2 2 318.421 0.691 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567742592 1160470269 /nfs/dbraw/zinc/47/02/69/1160470269.db2.gz ONOBIPOJSKEQDA-HNNXBMFYSA-N 2 2 318.421 0.691 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001569114746 1160948261 /nfs/dbraw/zinc/94/82/61/1160948261.db2.gz CLNMXFLZXWBSAW-CABCVRRESA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001569114746 1160948267 /nfs/dbraw/zinc/94/82/67/1160948267.db2.gz CLNMXFLZXWBSAW-CABCVRRESA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001569114746 1160948272 /nfs/dbraw/zinc/94/82/72/1160948272.db2.gz CLNMXFLZXWBSAW-CABCVRRESA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001569114746 1160948278 /nfs/dbraw/zinc/94/82/78/1160948278.db2.gz CLNMXFLZXWBSAW-CABCVRRESA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001569855588 1161285387 /nfs/dbraw/zinc/28/53/87/1161285387.db2.gz JEWZGSSXQLXNHP-CABCVRRESA-N 2 2 306.410 0.770 20 30 DCEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001569938018 1161334471 /nfs/dbraw/zinc/33/44/71/1161334471.db2.gz MUUSKDDIOFHMDU-CQSZACIVSA-N 2 2 306.410 0.432 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001570167400 1161469764 /nfs/dbraw/zinc/46/97/64/1161469764.db2.gz OUNUIFCCFSXXCH-MRXNPFEDSA-N 2 2 308.470 0.733 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001570167400 1161469766 /nfs/dbraw/zinc/46/97/66/1161469766.db2.gz OUNUIFCCFSXXCH-MRXNPFEDSA-N 2 2 308.470 0.733 20 30 DCEDLP 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20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001724547665 1184462666 /nfs/dbraw/zinc/46/26/66/1184462666.db2.gz IASYKABJLKXOLF-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001724552297 1184462748 /nfs/dbraw/zinc/46/27/48/1184462748.db2.gz DDUFAIZORDSNCW-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001724604806 1184471803 /nfs/dbraw/zinc/47/18/03/1184471803.db2.gz YKJGBMZQLWOGEU-UONOGXRCSA-N 2 2 306.410 0.839 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725495295 1184845739 /nfs/dbraw/zinc/84/57/39/1184845739.db2.gz MDGIFJCTHROLAF-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001725697673 1184950260 /nfs/dbraw/zinc/95/02/60/1184950260.db2.gz NOIHQBDBIMVFSX-DZGCQCFKSA-N 2 2 306.410 0.431 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCOCC=C)C1 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318.421 0.583 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001732347946 1185774388 /nfs/dbraw/zinc/77/43/88/1185774388.db2.gz LULQOIRSGNTQBO-JSGCOSHPSA-N 2 2 318.425 0.053 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001732347946 1185774395 /nfs/dbraw/zinc/77/43/95/1185774395.db2.gz LULQOIRSGNTQBO-JSGCOSHPSA-N 2 2 318.425 0.053 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001732387320 1185794432 /nfs/dbraw/zinc/79/44/32/1185794432.db2.gz PEVHHBIRDQAVHK-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001732387320 1185794438 /nfs/dbraw/zinc/79/44/38/1185794438.db2.gz PEVHHBIRDQAVHK-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC001733471837 1186280422 /nfs/dbraw/zinc/28/04/22/1186280422.db2.gz AMNLTRZSALXESR-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP CC#CC[NH2+]CCN(CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001733616195 1186369953 /nfs/dbraw/zinc/36/99/53/1186369953.db2.gz ZOBJFMHPFYOEBI-UHFFFAOYSA-N 2 2 318.421 0.196 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001733856767 1186477471 /nfs/dbraw/zinc/47/74/71/1186477471.db2.gz FNXOZYNKTBQBOS-WFASDCNBSA-N 2 2 306.410 0.900 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001752738262 1188436285 /nfs/dbraw/zinc/43/62/85/1188436285.db2.gz UKJHPCFYBIGBFO-KFWWJZLASA-N 2 2 316.405 0.332 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315538 1188818963 /nfs/dbraw/zinc/81/89/63/1188818963.db2.gz VYKOWTSYIHDYBK-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315538 1188818967 /nfs/dbraw/zinc/81/89/67/1188818967.db2.gz VYKOWTSYIHDYBK-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001755085418 1189016887 /nfs/dbraw/zinc/01/68/87/1189016887.db2.gz FSLPEVDQIJOKQQ-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001755333040 1189085016 /nfs/dbraw/zinc/08/50/16/1189085016.db2.gz UYOPRELQOPIODZ-UHFFFAOYSA-N 2 2 319.449 0.439 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001755760540 1189203644 /nfs/dbraw/zinc/20/36/44/1189203644.db2.gz OVEXRNGWJPCROP-OAHLLOKOSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001755779258 1189208084 /nfs/dbraw/zinc/20/80/84/1189208084.db2.gz GTRAGZHLQKQGLA-OAHLLOKOSA-N 2 2 318.421 0.194 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)[NH+](C)C)nn2)C1 ZINC001107182375 751932699 /nfs/dbraw/zinc/93/26/99/751932699.db2.gz SMSUGIHPWZOJKH-OAHLLOKOSA-N 2 2 318.425 0.115 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209166 747155986 /nfs/dbraw/zinc/15/59/86/747155986.db2.gz UAGVOLCDMPOVJL-SOUVJXGZSA-N 2 2 304.394 0.932 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209166 747155991 /nfs/dbraw/zinc/15/59/91/747155991.db2.gz UAGVOLCDMPOVJL-SOUVJXGZSA-N 2 2 304.394 0.932 20 30 DCEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105294765 748110514 /nfs/dbraw/zinc/11/05/14/748110514.db2.gz FMPRPLGYEIFASF-UHFFFAOYSA-N 2 2 315.381 0.224 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077076395 750184678 /nfs/dbraw/zinc/18/46/78/750184678.db2.gz DOIHMCOXYVEVCX-CHWSQXEVSA-N 2 2 309.435 0.771 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077076395 750184689 /nfs/dbraw/zinc/18/46/89/750184689.db2.gz DOIHMCOXYVEVCX-CHWSQXEVSA-N 2 2 309.435 0.771 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580167 750409569 /nfs/dbraw/zinc/40/95/69/750409569.db2.gz UJRIQRBMUPARKR-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580167 750409571 /nfs/dbraw/zinc/40/95/71/750409571.db2.gz UJRIQRBMUPARKR-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046028536 753433012 /nfs/dbraw/zinc/43/30/12/753433012.db2.gz TZIWOEMYONBABR-HNNXBMFYSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046028536 753433016 /nfs/dbraw/zinc/43/30/16/753433016.db2.gz TZIWOEMYONBABR-HNNXBMFYSA-N 2 2 317.437 0.747 20 30 DCEDLP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046431539 753711907 /nfs/dbraw/zinc/71/19/07/753711907.db2.gz FGCQPABCVRECFK-INIZCTEOSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046431539 753711911 /nfs/dbraw/zinc/71/19/11/753711911.db2.gz FGCQPABCVRECFK-INIZCTEOSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833404 753962692 /nfs/dbraw/zinc/96/26/92/753962692.db2.gz ZDMSBMMNXHVROM-OAGGEKHMSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833404 753962697 /nfs/dbraw/zinc/96/26/97/753962697.db2.gz ZDMSBMMNXHVROM-OAGGEKHMSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083833404 753962701 /nfs/dbraw/zinc/96/27/01/753962701.db2.gz ZDMSBMMNXHVROM-OAGGEKHMSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083833404 753962705 /nfs/dbraw/zinc/96/27/05/753962705.db2.gz ZDMSBMMNXHVROM-OAGGEKHMSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380136 754229231 /nfs/dbraw/zinc/22/92/31/754229231.db2.gz CKBDVNFCOPXAOJ-PMPSAXMXSA-N 2 2 307.438 0.386 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380136 754229234 /nfs/dbraw/zinc/22/92/34/754229234.db2.gz CKBDVNFCOPXAOJ-PMPSAXMXSA-N 2 2 307.438 0.386 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380136 754229236 /nfs/dbraw/zinc/22/92/36/754229236.db2.gz CKBDVNFCOPXAOJ-PMPSAXMXSA-N 2 2 307.438 0.386 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001047380136 754229240 /nfs/dbraw/zinc/22/92/40/754229240.db2.gz CKBDVNFCOPXAOJ-PMPSAXMXSA-N 2 2 307.438 0.386 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCCC)C[C@@H]1O ZINC001047415097 754261678 /nfs/dbraw/zinc/26/16/78/754261678.db2.gz GVROZOTZYRATNI-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCCC)C[C@@H]1O ZINC001047415097 754261683 /nfs/dbraw/zinc/26/16/83/754261683.db2.gz GVROZOTZYRATNI-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCCC)C[C@@H]1O ZINC001047415097 754261687 /nfs/dbraw/zinc/26/16/87/754261687.db2.gz GVROZOTZYRATNI-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCCC)C[C@@H]1O ZINC001047415097 754261691 /nfs/dbraw/zinc/26/16/91/754261691.db2.gz GVROZOTZYRATNI-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638246 754452576 /nfs/dbraw/zinc/45/25/76/754452576.db2.gz INGASVFOSQQQHH-IRXDYDNUSA-N 2 2 315.417 0.499 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638246 754452580 /nfs/dbraw/zinc/45/25/80/754452580.db2.gz INGASVFOSQQQHH-IRXDYDNUSA-N 2 2 315.417 0.499 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCOC ZINC001049530764 755302450 /nfs/dbraw/zinc/30/24/50/755302450.db2.gz ZXIURBFRSVSXGI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCOC ZINC001049530764 755302456 /nfs/dbraw/zinc/30/24/56/755302456.db2.gz ZXIURBFRSVSXGI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCOC ZINC001049530764 755302458 /nfs/dbraw/zinc/30/24/58/755302458.db2.gz ZXIURBFRSVSXGI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCOC ZINC001049530764 755302463 /nfs/dbraw/zinc/30/24/63/755302463.db2.gz ZXIURBFRSVSXGI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1ccc3c[nH+]cn3c1)CO2 ZINC001053871380 756252892 /nfs/dbraw/zinc/25/28/92/756252892.db2.gz DVLRVGIYYOZMIH-HNNXBMFYSA-N 2 2 324.384 0.931 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001053964671 756300695 /nfs/dbraw/zinc/30/06/95/756300695.db2.gz MBSFRWAXJPKLAR-INIZCTEOSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081899806 756850057 /nfs/dbraw/zinc/85/00/57/756850057.db2.gz KMRHZMCMDQORJN-HUUCEWRRSA-N 2 2 300.362 0.949 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081899806 756850064 /nfs/dbraw/zinc/85/00/64/756850064.db2.gz KMRHZMCMDQORJN-HUUCEWRRSA-N 2 2 300.362 0.949 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072593 756919086 /nfs/dbraw/zinc/91/90/86/756919086.db2.gz AIUDCUWNUAQBMH-HUUCEWRRSA-N 2 2 319.405 0.794 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072593 756919090 /nfs/dbraw/zinc/91/90/90/756919090.db2.gz AIUDCUWNUAQBMH-HUUCEWRRSA-N 2 2 319.405 0.794 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082148812 756936939 /nfs/dbraw/zinc/93/69/39/756936939.db2.gz RPMJLXHTWSVSPQ-RGCMKSIDSA-N 2 2 304.394 0.525 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082148812 756936943 /nfs/dbraw/zinc/93/69/43/756936943.db2.gz RPMJLXHTWSVSPQ-RGCMKSIDSA-N 2 2 304.394 0.525 20 30 DCEDLP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050007178 757272346 /nfs/dbraw/zinc/27/23/46/757272346.db2.gz ZHSMYFOXKNSEIX-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050007178 757272354 /nfs/dbraw/zinc/27/23/54/757272354.db2.gz ZHSMYFOXKNSEIX-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050007178 757272361 /nfs/dbraw/zinc/27/23/61/757272361.db2.gz ZHSMYFOXKNSEIX-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050007178 757272370 /nfs/dbraw/zinc/27/23/70/757272370.db2.gz ZHSMYFOXKNSEIX-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176244 757551651 /nfs/dbraw/zinc/55/16/51/757551651.db2.gz JQHIIBIOUFBOQL-YHUYYLMFSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176244 757551656 /nfs/dbraw/zinc/55/16/56/757551656.db2.gz JQHIIBIOUFBOQL-YHUYYLMFSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176244 757551663 /nfs/dbraw/zinc/55/16/63/757551663.db2.gz JQHIIBIOUFBOQL-YHUYYLMFSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083176244 757551664 /nfs/dbraw/zinc/55/16/64/757551664.db2.gz JQHIIBIOUFBOQL-YHUYYLMFSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001052030074 759129340 /nfs/dbraw/zinc/12/93/40/759129340.db2.gz GWERSSFYWQQLMS-BRWVUGGUSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001052030074 759129344 /nfs/dbraw/zinc/12/93/44/759129344.db2.gz GWERSSFYWQQLMS-BRWVUGGUSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052084275 759167083 /nfs/dbraw/zinc/16/70/83/759167083.db2.gz UMNKTJWXOQUYHC-CVEARBPZSA-N 2 2 306.454 0.178 20 30 DCEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116959 759189123 /nfs/dbraw/zinc/18/91/23/759189123.db2.gz CDVRGJAXJKIHCM-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116959 759189126 /nfs/dbraw/zinc/18/91/26/759189126.db2.gz CDVRGJAXJKIHCM-SJORKVTESA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116957 759189463 /nfs/dbraw/zinc/18/94/63/759189463.db2.gz CDVRGJAXJKIHCM-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116957 759189469 /nfs/dbraw/zinc/18/94/69/759189469.db2.gz CDVRGJAXJKIHCM-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866170 759404279 /nfs/dbraw/zinc/40/42/79/759404279.db2.gz ARGRODDAEYLBHU-INIZCTEOSA-N 2 2 317.437 0.614 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866170 759404288 /nfs/dbraw/zinc/40/42/88/759404288.db2.gz ARGRODDAEYLBHU-INIZCTEOSA-N 2 2 317.437 0.614 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)CC[N@@H+](C)CCC)CC2=O)C1 ZINC001108586793 760926443 /nfs/dbraw/zinc/92/64/43/760926443.db2.gz DOOSDCGVHZIOAO-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)CC[N@H+](C)CCC)CC2=O)C1 ZINC001108586793 760926450 /nfs/dbraw/zinc/92/64/50/760926450.db2.gz DOOSDCGVHZIOAO-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123656354 768014968 /nfs/dbraw/zinc/01/49/68/768014968.db2.gz ROUNUGJPKKHCPY-GOEBONIOSA-N 2 2 323.485 0.570 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123656354 768014975 /nfs/dbraw/zinc/01/49/75/768014975.db2.gz ROUNUGJPKKHCPY-GOEBONIOSA-N 2 2 323.485 0.570 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCC ZINC001109414933 761405954 /nfs/dbraw/zinc/40/59/54/761405954.db2.gz TYDHGDBJZOFNHO-QZWWFDLISA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCC ZINC001109414933 761405955 /nfs/dbraw/zinc/40/59/55/761405955.db2.gz TYDHGDBJZOFNHO-QZWWFDLISA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC ZINC001109414933 761405956 /nfs/dbraw/zinc/40/59/56/761405956.db2.gz TYDHGDBJZOFNHO-QZWWFDLISA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC ZINC001109414933 761405959 /nfs/dbraw/zinc/40/59/59/761405959.db2.gz TYDHGDBJZOFNHO-QZWWFDLISA-N 2 2 319.449 0.842 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090426644 761422794 /nfs/dbraw/zinc/42/27/94/761422794.db2.gz FKCIOBAWLUTFQF-UKRRQHHQSA-N 2 2 312.373 0.523 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090426644 761422797 /nfs/dbraw/zinc/42/27/97/761422797.db2.gz FKCIOBAWLUTFQF-UKRRQHHQSA-N 2 2 312.373 0.523 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020541 761588738 /nfs/dbraw/zinc/58/87/38/761588738.db2.gz IIZMMGFNNNQAIJ-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020541 761588746 /nfs/dbraw/zinc/58/87/46/761588746.db2.gz IIZMMGFNNNQAIJ-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020541 761588752 /nfs/dbraw/zinc/58/87/52/761588752.db2.gz IIZMMGFNNNQAIJ-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020541 761588760 /nfs/dbraw/zinc/58/87/60/761588760.db2.gz IIZMMGFNNNQAIJ-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975862 761627482 /nfs/dbraw/zinc/62/74/82/761627482.db2.gz HRMRNHIIKIPBRP-KBMXLJTQSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975862 761627483 /nfs/dbraw/zinc/62/74/83/761627483.db2.gz HRMRNHIIKIPBRP-KBMXLJTQSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206785 762876811 /nfs/dbraw/zinc/87/68/11/762876811.db2.gz PSPDKAKRKUUVQX-VIKVFOODSA-N 2 2 304.394 0.591 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206785 762876818 /nfs/dbraw/zinc/87/68/18/762876818.db2.gz PSPDKAKRKUUVQX-VIKVFOODSA-N 2 2 304.394 0.591 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=C)Br ZINC001129774797 763009840 /nfs/dbraw/zinc/00/98/40/763009840.db2.gz FZXFHPGAJAVTHO-LBPRGKRZSA-N 2 2 314.227 0.698 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=C)Br ZINC001129774797 763009843 /nfs/dbraw/zinc/00/98/43/763009843.db2.gz FZXFHPGAJAVTHO-LBPRGKRZSA-N 2 2 314.227 0.698 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099803980 763048884 /nfs/dbraw/zinc/04/88/84/763048884.db2.gz GGCNNMFUALYIKC-KBPBESRZSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099803980 763048893 /nfs/dbraw/zinc/04/88/93/763048893.db2.gz GGCNNMFUALYIKC-KBPBESRZSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809135 763054816 /nfs/dbraw/zinc/05/48/16/763054816.db2.gz CRBQSOWLWXTSDS-KGLIPLIRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809135 763054821 /nfs/dbraw/zinc/05/48/21/763054821.db2.gz CRBQSOWLWXTSDS-KGLIPLIRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375547 764077693 /nfs/dbraw/zinc/07/76/93/764077693.db2.gz YJVPXSZBGKACAB-PBHICJAKSA-N 2 2 318.421 0.935 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375547 764077702 /nfs/dbraw/zinc/07/77/02/764077702.db2.gz YJVPXSZBGKACAB-PBHICJAKSA-N 2 2 318.421 0.935 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1nccn12 ZINC001092354283 768270676 /nfs/dbraw/zinc/27/06/76/768270676.db2.gz GKQDHNANPKKXCT-ZIAGYGMSSA-N 2 2 315.421 0.735 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1nccn12 ZINC001092354283 768270677 /nfs/dbraw/zinc/27/06/77/768270677.db2.gz GKQDHNANPKKXCT-ZIAGYGMSSA-N 2 2 315.421 0.735 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1nccn12 ZINC001092354282 768270828 /nfs/dbraw/zinc/27/08/28/768270828.db2.gz GKQDHNANPKKXCT-UONOGXRCSA-N 2 2 315.421 0.735 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1nccn12 ZINC001092354282 768270830 /nfs/dbraw/zinc/27/08/30/768270830.db2.gz GKQDHNANPKKXCT-UONOGXRCSA-N 2 2 315.421 0.735 20 30 DCEDLP N#Cc1cc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)ccc1F ZINC001134406986 765508366 /nfs/dbraw/zinc/50/83/66/765508366.db2.gz LKOXOOVSBQWREB-UHFFFAOYSA-N 2 2 301.325 0.869 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086737341 765949998 /nfs/dbraw/zinc/94/99/98/765949998.db2.gz GKBHVCMKUHMEFW-RRFJBIMHSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012682 768925164 /nfs/dbraw/zinc/92/51/64/768925164.db2.gz PHTQBIVJGJUKJK-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012682 768925169 /nfs/dbraw/zinc/92/51/69/768925169.db2.gz PHTQBIVJGJUKJK-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722923 769170348 /nfs/dbraw/zinc/17/03/48/769170348.db2.gz IPOSYHSKGZGVBL-OAHLLOKOSA-N 2 2 304.394 0.422 20 30 DCEDLP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235304445 769802031 /nfs/dbraw/zinc/80/20/31/769802031.db2.gz REAAOACQSDBKFM-CABCVRRESA-N 2 2 305.426 0.532 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235304445 769802043 /nfs/dbraw/zinc/80/20/43/769802043.db2.gz REAAOACQSDBKFM-CABCVRRESA-N 2 2 305.426 0.532 20 30 DCEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176686309 770153597 /nfs/dbraw/zinc/15/35/97/770153597.db2.gz VGIKLFWYOAGCKK-DOTOQJQBSA-N 2 2 321.465 0.995 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177087988 770331482 /nfs/dbraw/zinc/33/14/82/770331482.db2.gz HWMVAQHCVMARIM-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177087988 770331492 /nfs/dbraw/zinc/33/14/92/770331492.db2.gz HWMVAQHCVMARIM-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177138111 770356103 /nfs/dbraw/zinc/35/61/03/770356103.db2.gz IOFHPHVMKULYAX-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177138111 770356114 /nfs/dbraw/zinc/35/61/14/770356114.db2.gz IOFHPHVMKULYAX-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138111 770356126 /nfs/dbraw/zinc/35/61/26/770356126.db2.gz IOFHPHVMKULYAX-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138111 770356137 /nfs/dbraw/zinc/35/61/37/770356137.db2.gz IOFHPHVMKULYAX-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179901571 771031335 /nfs/dbraw/zinc/03/13/35/771031335.db2.gz BGLMWDKVPWVCCA-UHFFFAOYSA-N 2 2 306.410 0.868 20 30 DCEDLP C=C(C[NH+]1CCCC1)C(=O)N[C@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001183085828 771602444 /nfs/dbraw/zinc/60/24/44/771602444.db2.gz KXGYYFDMZFUOBK-CQSZACIVSA-N 2 2 320.393 0.272 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001184576544 771800167 /nfs/dbraw/zinc/80/01/67/771800167.db2.gz PNURHHTZLMQHAJ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001184576544 771800174 /nfs/dbraw/zinc/80/01/74/771800174.db2.gz PNURHHTZLMQHAJ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586511 771932792 /nfs/dbraw/zinc/93/27/92/771932792.db2.gz PQPFPQIXMCJAII-ZIAGYGMSSA-N 2 2 316.405 0.670 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)c(C)o1 ZINC001160197929 772006713 /nfs/dbraw/zinc/00/67/13/772006713.db2.gz OLMFIOULLBXXNK-HNNXBMFYSA-N 2 2 318.421 0.985 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)c(C)o1 ZINC001160197929 772006718 /nfs/dbraw/zinc/00/67/18/772006718.db2.gz OLMFIOULLBXXNK-HNNXBMFYSA-N 2 2 318.421 0.985 20 30 DCEDLP C=CCCC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731702 772758516 /nfs/dbraw/zinc/75/85/16/772758516.db2.gz OWOSVKALFJHWTQ-HNNXBMFYSA-N 2 2 321.425 0.519 20 30 DCEDLP C=CCCC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731702 772758519 /nfs/dbraw/zinc/75/85/19/772758519.db2.gz OWOSVKALFJHWTQ-HNNXBMFYSA-N 2 2 321.425 0.519 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205555691 773000476 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20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001197158848 773707003 /nfs/dbraw/zinc/70/70/03/773707003.db2.gz XDTOTVRCVCZZGP-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001197158848 773707009 /nfs/dbraw/zinc/70/70/09/773707009.db2.gz XDTOTVRCVCZZGP-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158848 773707013 /nfs/dbraw/zinc/70/70/13/773707013.db2.gz XDTOTVRCVCZZGP-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001197158848 773707016 /nfs/dbraw/zinc/70/70/16/773707016.db2.gz XDTOTVRCVCZZGP-CABCVRRESA-N 2 2 322.453 0.021 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723280 773733277 /nfs/dbraw/zinc/73/32/77/773733277.db2.gz HUNIFQICCIGOKF-GDBMZVCRSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723280 773733283 /nfs/dbraw/zinc/73/32/83/773733283.db2.gz HUNIFQICCIGOKF-GDBMZVCRSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOCC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817606 773811883 /nfs/dbraw/zinc/81/18/83/773811883.db2.gz ORSDEWYYXBMNIA-UHFFFAOYSA-N 2 2 306.410 0.700 20 30 DCEDLP C=CCOCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817606 773811888 /nfs/dbraw/zinc/81/18/88/773811888.db2.gz ORSDEWYYXBMNIA-UHFFFAOYSA-N 2 2 306.410 0.700 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213718945 773880596 /nfs/dbraw/zinc/88/05/96/773880596.db2.gz HJJRQGYEXBQGND-HUUCEWRRSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213718945 773880603 /nfs/dbraw/zinc/88/06/03/773880603.db2.gz HJJRQGYEXBQGND-HUUCEWRRSA-N 2 2 306.410 0.744 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214987925 774031423 /nfs/dbraw/zinc/03/14/23/774031423.db2.gz ALGIQILHELWUOR-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215199868 774049157 /nfs/dbraw/zinc/04/91/57/774049157.db2.gz JAPBBBVLWQLNNZ-HUUCEWRRSA-N 2 2 320.437 0.992 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CCCO1 ZINC001201387729 774504410 /nfs/dbraw/zinc/50/44/10/774504410.db2.gz BHOCENKLIMNKBW-KBPBESRZSA-N 2 2 316.405 0.670 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441991 774810226 /nfs/dbraw/zinc/81/02/26/774810226.db2.gz UVUUDNJZMIJEAC-KFWWJZLASA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441991 774810231 /nfs/dbraw/zinc/81/02/31/774810231.db2.gz UVUUDNJZMIJEAC-KFWWJZLASA-N 2 2 306.410 0.962 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220737938 774905365 /nfs/dbraw/zinc/90/53/65/774905365.db2.gz HKVAGXUXASSPQV-SOLBZPMBSA-N 2 2 315.417 0.258 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@](C)(c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001220737938 774905369 /nfs/dbraw/zinc/90/53/69/774905369.db2.gz HKVAGXUXASSPQV-SOLBZPMBSA-N 2 2 315.417 0.258 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095212 774994132 /nfs/dbraw/zinc/99/41/32/774994132.db2.gz AQYKQAFEWLZQIV-IXDOHACOSA-N 2 2 315.417 0.474 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095212 774994138 /nfs/dbraw/zinc/99/41/38/774994138.db2.gz AQYKQAFEWLZQIV-IXDOHACOSA-N 2 2 315.417 0.474 20 30 DCEDLP C=CCOCC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168343 775652562 /nfs/dbraw/zinc/65/25/62/775652562.db2.gz UKKSHUSMGNYBOD-UHFFFAOYSA-N 2 2 320.437 0.993 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787929 945189366 /nfs/dbraw/zinc/18/93/66/945189366.db2.gz GWQPLLZQSXHZGF-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787929 945189371 /nfs/dbraw/zinc/18/93/71/945189371.db2.gz GWQPLLZQSXHZGF-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039781 945212977 /nfs/dbraw/zinc/21/29/77/945212977.db2.gz VFONGJDTSQUMMG-UHFFFAOYSA-N 2 2 305.422 0.265 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266947728 939285963 /nfs/dbraw/zinc/28/59/63/939285963.db2.gz CVHOTOPPGJTUPI-KGLIPLIRSA-N 2 2 304.394 0.190 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001267017964 939311843 /nfs/dbraw/zinc/31/18/43/939311843.db2.gz SHYCITPKYBGSKQ-CYBMUJFWSA-N 2 2 319.409 0.096 20 30 DCEDLP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)[NH+](C)C ZINC001267574501 939520335 /nfs/dbraw/zinc/52/03/35/939520335.db2.gz JGUXPNKTCPKJFT-OAHLLOKOSA-N 2 2 309.458 0.172 20 30 DCEDLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC#CCOC ZINC001267812771 939687084 /nfs/dbraw/zinc/68/70/84/939687084.db2.gz GNQJGNYVQUNLED-AWEZNQCLSA-N 2 2 306.410 0.487 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268402261 940106151 /nfs/dbraw/zinc/10/61/51/940106151.db2.gz GQVZAMSYYSESTM-RRFJBIMHSA-N 2 2 318.421 0.658 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001269972889 940807991 /nfs/dbraw/zinc/80/79/91/940807991.db2.gz PSRZWNJVWOCEIE-OLZOCXBDSA-N 2 2 319.409 0.224 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001270996252 941237000 /nfs/dbraw/zinc/23/70/00/941237000.db2.gz QTXDWAYFWWMRMI-OCCSQVGLSA-N 2 2 319.409 0.412 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001270996252 941237005 /nfs/dbraw/zinc/23/70/05/941237005.db2.gz QTXDWAYFWWMRMI-OCCSQVGLSA-N 2 2 319.409 0.412 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001271050604 941248692 /nfs/dbraw/zinc/24/86/92/941248692.db2.gz UTEWEMBYRQJXPS-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001271922507 941480764 /nfs/dbraw/zinc/48/07/64/941480764.db2.gz IRHMQRGTDIUYMA-HNNXBMFYSA-N 2 2 306.410 0.641 20 30 DCEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271988942 941502254 /nfs/dbraw/zinc/50/22/54/941502254.db2.gz ZOHSDAQZPVJLIQ-QGZVFWFLSA-N 2 2 307.438 0.295 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271988942 941502255 /nfs/dbraw/zinc/50/22/55/941502255.db2.gz ZOHSDAQZPVJLIQ-QGZVFWFLSA-N 2 2 307.438 0.295 20 30 DCEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001483572720 942433475 /nfs/dbraw/zinc/43/34/75/942433475.db2.gz YMGSXQWFTFQNNH-HUUCEWRRSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484252091 943264020 /nfs/dbraw/zinc/26/40/20/943264020.db2.gz RXEJINDLKGOHFX-CQSZACIVSA-N 2 2 301.818 0.388 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484252091 943264029 /nfs/dbraw/zinc/26/40/29/943264029.db2.gz RXEJINDLKGOHFX-CQSZACIVSA-N 2 2 301.818 0.388 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001484954545 943636244 /nfs/dbraw/zinc/63/62/44/943636244.db2.gz OCEJDPUQVIPQJU-CHWSQXEVSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001484954545 943636245 /nfs/dbraw/zinc/63/62/45/943636245.db2.gz OCEJDPUQVIPQJU-CHWSQXEVSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491180964 943809818 /nfs/dbraw/zinc/80/98/18/943809818.db2.gz YCZUZJNSVQWYPN-OAHLLOKOSA-N 2 2 320.437 0.993 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001485554768 943994999 /nfs/dbraw/zinc/99/49/99/943994999.db2.gz DJBAZULIUJBKNM-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001485554768 943995002 /nfs/dbraw/zinc/99/50/02/943995002.db2.gz DJBAZULIUJBKNM-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCN1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272807902 944239925 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DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316948090 944672469 /nfs/dbraw/zinc/67/24/69/944672469.db2.gz PYTMILBKDHHORZ-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316948090 944672471 /nfs/dbraw/zinc/67/24/71/944672471.db2.gz PYTMILBKDHHORZ-GJZGRUSLSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001317119609 944807358 /nfs/dbraw/zinc/80/73/58/944807358.db2.gz FXOCLVSMILXSEJ-LXTVHRRPSA-N 2 2 318.421 0.963 20 30 DCEDLP C#CCOC[C@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001251832546 945788401 /nfs/dbraw/zinc/78/84/01/945788401.db2.gz MJIIZZGDYZRVRP-CQSZACIVSA-N 2 2 304.394 0.256 20 30 DCEDLP C=C[C@@H](COC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320428046 945871423 /nfs/dbraw/zinc/87/14/23/945871423.db2.gz QRNXARWYDODNKQ-KBPBESRZSA-N 2 2 310.442 0.655 20 30 DCEDLP C=C[C@@H](COC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320428046 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DCEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001324408543 947418471 /nfs/dbraw/zinc/41/84/71/947418471.db2.gz UGRSSVWJQDYHQW-HNNXBMFYSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CCCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273543310 947951250 /nfs/dbraw/zinc/95/12/50/947951250.db2.gz XPUDYCFEYOASIM-KRWDZBQOSA-N 2 2 316.405 0.637 20 30 DCEDLP C#CCCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273543310 947951257 /nfs/dbraw/zinc/95/12/57/947951257.db2.gz XPUDYCFEYOASIM-KRWDZBQOSA-N 2 2 316.405 0.637 20 30 DCEDLP C#CCN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273784776 948092340 /nfs/dbraw/zinc/09/23/40/948092340.db2.gz IHUNNATVCMOXJP-MRXNPFEDSA-N 2 2 300.362 0.357 20 30 DCEDLP C#CCN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273784776 948092348 /nfs/dbraw/zinc/09/23/48/948092348.db2.gz IHUNNATVCMOXJP-MRXNPFEDSA-N 2 2 300.362 0.357 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001273827022 948310788 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DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001280647518 948669578 /nfs/dbraw/zinc/66/95/78/948669578.db2.gz FJIOWSAFGSCYJG-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001280647518 948669583 /nfs/dbraw/zinc/66/95/83/948669583.db2.gz FJIOWSAFGSCYJG-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380093 948948852 /nfs/dbraw/zinc/94/88/52/948948852.db2.gz CRJIGYHJFZTHME-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380093 948948862 /nfs/dbraw/zinc/94/88/62/948948862.db2.gz CRJIGYHJFZTHME-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001329514624 949650305 /nfs/dbraw/zinc/65/03/05/949650305.db2.gz FREBJLFATYSASV-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001329514624 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20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001275237702 952026600 /nfs/dbraw/zinc/02/66/00/952026600.db2.gz LHAXSHBRWYOZHP-UHFFFAOYSA-N 2 2 304.394 0.477 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001275237702 952026602 /nfs/dbraw/zinc/02/66/02/952026602.db2.gz LHAXSHBRWYOZHP-UHFFFAOYSA-N 2 2 304.394 0.477 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281808379 953370685 /nfs/dbraw/zinc/37/06/85/953370685.db2.gz JNRYZUMWLNHYTG-CQSZACIVSA-N 2 2 318.421 0.575 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154368 954883893 /nfs/dbraw/zinc/88/38/93/954883893.db2.gz OASKUKDWTMEHSL-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154368 954883907 /nfs/dbraw/zinc/88/39/07/954883907.db2.gz OASKUKDWTMEHSL-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCOC ZINC001284657909 955218035 /nfs/dbraw/zinc/21/80/35/955218035.db2.gz NMLATMJLQONAFY-UHFFFAOYSA-N 2 2 300.362 0.874 20 30 DCEDLP C#CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCOC ZINC001284657909 955218043 /nfs/dbraw/zinc/21/80/43/955218043.db2.gz NMLATMJLQONAFY-UHFFFAOYSA-N 2 2 300.362 0.874 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC001316691134 960046986 /nfs/dbraw/zinc/04/69/86/960046986.db2.gz AKKUJKNJYQVABZ-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001317403601 960107808 /nfs/dbraw/zinc/10/78/08/960107808.db2.gz AEIGDGBDLSRFOS-HOCLYGCPSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001317403601 960107815 /nfs/dbraw/zinc/10/78/15/960107815.db2.gz AEIGDGBDLSRFOS-HOCLYGCPSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001316748376 960362578 /nfs/dbraw/zinc/36/25/78/960362578.db2.gz NXGYAWOAHAJDRM-OAHLLOKOSA-N 2 2 304.394 0.192 20 30 DCEDLP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001316748376 960362587 /nfs/dbraw/zinc/36/25/87/960362587.db2.gz NXGYAWOAHAJDRM-OAHLLOKOSA-N 2 2 304.394 0.192 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)CO2 ZINC001502457683 1015931818 /nfs/dbraw/zinc/93/18/18/1015931818.db2.gz JAEXEWJKJRPPSR-HZPDHXFCSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)CO2 ZINC001502457683 1015931824 /nfs/dbraw/zinc/93/18/24/1015931824.db2.gz JAEXEWJKJRPPSR-HZPDHXFCSA-N 2 2 319.449 0.844 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439026801 1006381826 /nfs/dbraw/zinc/38/18/26/1006381826.db2.gz OCEMWANPZGLYRC-NWDGAFQWSA-N 2 2 300.790 0.653 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001441724854 1008478283 /nfs/dbraw/zinc/47/82/83/1008478283.db2.gz VIXYXHVJDNVHCM-NWDGAFQWSA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001442069443 1008921493 /nfs/dbraw/zinc/92/14/93/1008921493.db2.gz KMLCTEPNPWTADG-SNVBAGLBSA-N 2 2 301.188 0.886 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001446716992 1012917738 /nfs/dbraw/zinc/91/77/38/1012917738.db2.gz STKNKSAQOOFWIC-UHFFFAOYSA-N 2 2 312.801 0.960 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001506629850 1017422044 /nfs/dbraw/zinc/42/20/44/1017422044.db2.gz CDNZWDFVKIOKRQ-UKRRQHHQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001506629850 1017422053 /nfs/dbraw/zinc/42/20/53/1017422053.db2.gz CDNZWDFVKIOKRQ-UKRRQHHQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001499455338 1017940805 /nfs/dbraw/zinc/94/08/05/1017940805.db2.gz GXQRWXLWYNJCJF-LBPRGKRZSA-N 2 2 301.818 0.698 20 30 DCEDLP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001499455338 1017940820 /nfs/dbraw/zinc/94/08/20/1017940820.db2.gz GXQRWXLWYNJCJF-LBPRGKRZSA-N 2 2 301.818 0.698 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001480112630 1018216382 /nfs/dbraw/zinc/21/63/82/1018216382.db2.gz YALDPWSWDLNBTB-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(C)o1 ZINC001497602562 1018269580 /nfs/dbraw/zinc/26/95/80/1018269580.db2.gz YZXGPVNLTZZWQN-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnc(C)o1 ZINC001497602562 1018269594 /nfs/dbraw/zinc/26/95/94/1018269594.db2.gz YZXGPVNLTZZWQN-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689190 1018581379 /nfs/dbraw/zinc/58/13/79/1018581379.db2.gz DYPDAQCULIHTNO-NVXWUHKLSA-N 2 2 318.421 0.657 20 30 DCEDLP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689190 1018581387 /nfs/dbraw/zinc/58/13/87/1018581387.db2.gz DYPDAQCULIHTNO-NVXWUHKLSA-N 2 2 318.421 0.657 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001500693218 1018584637 /nfs/dbraw/zinc/58/46/37/1018584637.db2.gz TYUJOOAVOMTRIQ-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001500693218 1018584646 /nfs/dbraw/zinc/58/46/46/1018584646.db2.gz TYUJOOAVOMTRIQ-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493153149 1019149503 /nfs/dbraw/zinc/14/95/03/1019149503.db2.gz YLBDBVFQWBYHSI-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493153149 1019149513 /nfs/dbraw/zinc/14/95/13/1019149513.db2.gz YLBDBVFQWBYHSI-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)CCC)C1=O ZINC001499107007 1019750947 /nfs/dbraw/zinc/75/09/47/1019750947.db2.gz OGUOYXJKUQEQCT-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@H]2CNC(=O)C[N@H+](C)CCC)C1=O ZINC001499107007 1019750962 /nfs/dbraw/zinc/75/09/62/1019750962.db2.gz OGUOYXJKUQEQCT-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499107007 1019750975 /nfs/dbraw/zinc/75/09/75/1019750975.db2.gz OGUOYXJKUQEQCT-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499107007 1019750989 /nfs/dbraw/zinc/75/09/89/1019750989.db2.gz OGUOYXJKUQEQCT-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118842486 282341358 /nfs/dbraw/zinc/34/13/58/282341358.db2.gz JNTYSRWYDNPKJJ-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118842486 282341359 /nfs/dbraw/zinc/34/13/59/282341359.db2.gz JNTYSRWYDNPKJJ-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842486 282341361 /nfs/dbraw/zinc/34/13/61/282341361.db2.gz JNTYSRWYDNPKJJ-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842486 282341362 /nfs/dbraw/zinc/34/13/62/282341362.db2.gz JNTYSRWYDNPKJJ-OAHLLOKOSA-N 2 2 305.426 0.916 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2C(=O)OCC)CC1 ZINC000491653961 241129024 /nfs/dbraw/zinc/12/90/24/241129024.db2.gz DGLBYQKIDUWRIP-CABCVRRESA-N 2 2 321.421 0.085 20 30 DCEDLP C[N@H+](CCc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000595885036 396676086 /nfs/dbraw/zinc/67/60/86/396676086.db2.gz LOFTWEYYRYASKS-UHFFFAOYSA-N 2 2 300.406 0.807 20 30 DCEDLP C[N@@H+](CCc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000595885036 396676090 /nfs/dbraw/zinc/67/60/90/396676090.db2.gz LOFTWEYYRYASKS-UHFFFAOYSA-N 2 2 300.406 0.807 20 30 DCEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000625099621 396770985 /nfs/dbraw/zinc/77/09/85/396770985.db2.gz SFRDWCILNHDCKA-ZIAGYGMSSA-N 2 2 309.369 0.437 20 30 DCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCN(CCC#N)CC2)CC1 ZINC000611173998 396828698 /nfs/dbraw/zinc/82/86/98/396828698.db2.gz UJRJEADFMRYEOD-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H](CCOC)C2)CC1 ZINC000490986786 397498819 /nfs/dbraw/zinc/49/88/19/397498819.db2.gz VMSFROXEODRNPW-KRWDZBQOSA-N 2 2 321.465 0.902 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258100 397765745 /nfs/dbraw/zinc/76/57/45/397765745.db2.gz MARGCUJHBATBHQ-CHWSQXEVSA-N 2 2 305.382 0.920 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258100 397765747 /nfs/dbraw/zinc/76/57/47/397765747.db2.gz MARGCUJHBATBHQ-CHWSQXEVSA-N 2 2 305.382 0.920 20 30 DCEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858249 415415644 /nfs/dbraw/zinc/41/56/44/415415644.db2.gz FXBILVQZCKIELU-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858249 415415650 /nfs/dbraw/zinc/41/56/50/415415650.db2.gz FXBILVQZCKIELU-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858249 415415655 /nfs/dbraw/zinc/41/56/55/415415655.db2.gz FXBILVQZCKIELU-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072858249 415415662 /nfs/dbraw/zinc/41/56/62/415415662.db2.gz FXBILVQZCKIELU-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126410904 415873486 /nfs/dbraw/zinc/87/34/86/415873486.db2.gz QHNGNGXTBOMNQE-HNNXBMFYSA-N 2 2 323.485 0.705 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126410904 415873490 /nfs/dbraw/zinc/87/34/90/415873490.db2.gz QHNGNGXTBOMNQE-HNNXBMFYSA-N 2 2 323.485 0.705 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126410904 415873496 /nfs/dbraw/zinc/87/34/96/415873496.db2.gz QHNGNGXTBOMNQE-HNNXBMFYSA-N 2 2 323.485 0.705 20 30 DCEDLP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000328612880 416123085 /nfs/dbraw/zinc/12/30/85/416123085.db2.gz PWJXAOWYBMCKKJ-CYBMUJFWSA-N 2 2 321.425 0.721 20 30 DCEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC000328647079 416125323 /nfs/dbraw/zinc/12/53/23/416125323.db2.gz HGZLWIDPMJKELE-UONOGXRCSA-N 2 2 321.425 0.903 20 30 DCEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC000328647079 416125327 /nfs/dbraw/zinc/12/53/27/416125327.db2.gz HGZLWIDPMJKELE-UONOGXRCSA-N 2 2 321.425 0.903 20 30 DCEDLP Cc1nc(N2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000329572615 416177975 /nfs/dbraw/zinc/17/79/75/416177975.db2.gz NCHLHXADRJASRB-CQSZACIVSA-N 2 2 318.425 0.915 20 30 DCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000346240264 416189977 /nfs/dbraw/zinc/18/99/77/416189977.db2.gz LNHGDYIJTAFSDN-CYBMUJFWSA-N 2 2 308.426 0.326 20 30 DCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000346240264 416189978 /nfs/dbraw/zinc/18/99/78/416189978.db2.gz LNHGDYIJTAFSDN-CYBMUJFWSA-N 2 2 308.426 0.326 20 30 DCEDLP Cn1nccc1C[NH+](C)CC#CC[N@@H+](C)Cc1ccnn1C ZINC000342123231 416284193 /nfs/dbraw/zinc/28/41/93/416284193.db2.gz HXHVONDARKSQOA-UHFFFAOYSA-N 2 2 300.410 0.721 20 30 DCEDLP Cn1nccc1C[NH+](C)CC#CC[N@H+](C)Cc1ccnn1C ZINC000342123231 416284196 /nfs/dbraw/zinc/28/41/96/416284196.db2.gz HXHVONDARKSQOA-UHFFFAOYSA-N 2 2 300.410 0.721 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261769851 416335512 /nfs/dbraw/zinc/33/55/12/416335512.db2.gz NWWNTBJMRNYLDC-WFASDCNBSA-N 3 2 304.442 0.839 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261769851 416335513 /nfs/dbraw/zinc/33/55/13/416335513.db2.gz NWWNTBJMRNYLDC-WFASDCNBSA-N 3 2 304.442 0.839 20 30 DCEDLP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)N1CCc2ccccc2C1 ZINC000263239701 416337476 /nfs/dbraw/zinc/33/74/76/416337476.db2.gz KUFDDFVADMZLGE-MRXNPFEDSA-N 2 2 302.422 0.951 20 30 DCEDLP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCc2ccccc2C1 ZINC000263239701 416337477 /nfs/dbraw/zinc/33/74/77/416337477.db2.gz KUFDDFVADMZLGE-MRXNPFEDSA-N 2 2 302.422 0.951 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000491667888 416611188 /nfs/dbraw/zinc/61/11/88/416611188.db2.gz YEKPYFWBJHHXBP-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000491667888 416611190 /nfs/dbraw/zinc/61/11/90/416611190.db2.gz YEKPYFWBJHHXBP-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000564848316 416898528 /nfs/dbraw/zinc/89/85/28/416898528.db2.gz LQPLRFHLJXHFGX-KBPBESRZSA-N 2 2 300.472 0.220 20 30 DCEDLP C=CCn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nn1 ZINC000638985436 417595386 /nfs/dbraw/zinc/59/53/86/417595386.db2.gz HJPAUFPHOHXYFH-UHFFFAOYSA-N 2 2 313.365 0.521 20 30 DCEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)C[C@H](C)O1 ZINC000580701786 332987313 /nfs/dbraw/zinc/98/73/13/332987313.db2.gz UZCACSVFVKXPPR-OWCLPIDISA-N 2 2 312.458 0.282 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000491361073 333028547 /nfs/dbraw/zinc/02/85/47/333028547.db2.gz ISPXRIPPLZGLHE-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(OC)CC2)CC1 ZINC000491361073 333028548 /nfs/dbraw/zinc/02/85/48/333028548.db2.gz ISPXRIPPLZGLHE-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000527048541 336281232 /nfs/dbraw/zinc/28/12/32/336281232.db2.gz BWPWMCWWYZSCJS-CYBMUJFWSA-N 2 2 316.409 0.493 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000488102879 339770419 /nfs/dbraw/zinc/77/04/19/339770419.db2.gz XJFFRDHDSAIBFO-UHFFFAOYSA-N 2 2 308.470 0.779 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000491680142 339873493 /nfs/dbraw/zinc/87/34/93/339873493.db2.gz YRQKHJHXGMFJPZ-CABCVRRESA-N 2 2 321.421 0.085 20 30 DCEDLP C#C[C@H]1COCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491781033 339881138 /nfs/dbraw/zinc/88/11/38/339881138.db2.gz FQALSPXYGPZUNI-AWEZNQCLSA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@H](O)CC)CC1 ZINC000304734551 340368212 /nfs/dbraw/zinc/36/82/12/340368212.db2.gz RWQDYDJDNYYLDY-HZPDHXFCSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H](O)CC)CC1 ZINC000304734551 340368213 /nfs/dbraw/zinc/36/82/13/340368213.db2.gz RWQDYDJDNYYLDY-HZPDHXFCSA-N 2 2 307.438 0.389 20 30 DCEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCOC1 ZINC000262686921 526365373 /nfs/dbraw/zinc/36/53/73/526365373.db2.gz AUPLSRGCDNFBQL-ZDUSSCGKSA-N 2 2 305.426 0.963 20 30 DCEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000245892866 529152611 /nfs/dbraw/zinc/15/26/11/529152611.db2.gz CFFRKAXIKNOSRG-CVEARBPZSA-N 2 2 321.469 0.459 20 30 DCEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000245892866 529152612 /nfs/dbraw/zinc/15/26/12/529152612.db2.gz CFFRKAXIKNOSRG-CVEARBPZSA-N 2 2 321.469 0.459 20 30 DCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454781 660945761 /nfs/dbraw/zinc/94/57/61/660945761.db2.gz YZURQBBRNUHCEV-JKSUJKDBSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000980501828 660950134 /nfs/dbraw/zinc/95/01/34/660950134.db2.gz DIMZIZXSZGKLNA-CVEARBPZSA-N 2 2 300.406 0.850 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519807 657557315 /nfs/dbraw/zinc/55/73/15/657557315.db2.gz ZAWKQBLDJKDUBW-BQFCYCMXSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000972519807 657557326 /nfs/dbraw/zinc/55/73/26/657557326.db2.gz ZAWKQBLDJKDUBW-BQFCYCMXSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000972519807 657557334 /nfs/dbraw/zinc/55/73/34/657557334.db2.gz ZAWKQBLDJKDUBW-BQFCYCMXSA-N 2 2 319.449 0.653 20 30 DCEDLP 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ZINC001035423524 667329720 /nfs/dbraw/zinc/32/97/20/667329720.db2.gz OENXDZGGSRRBIC-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001035423524 667329722 /nfs/dbraw/zinc/32/97/22/667329722.db2.gz OENXDZGGSRRBIC-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035423524 667329724 /nfs/dbraw/zinc/32/97/24/667329724.db2.gz OENXDZGGSRRBIC-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035423524 667329726 /nfs/dbraw/zinc/32/97/26/667329726.db2.gz OENXDZGGSRRBIC-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000884161754 667487902 /nfs/dbraw/zinc/48/79/02/667487902.db2.gz MOKSXAYWVRMOPR-JYJNAYRXSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000884161754 667487904 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2 2 309.410 0.376 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870001 667810707 /nfs/dbraw/zinc/81/07/07/667810707.db2.gz NCYPSDNEQITWTF-BBRMVZONSA-N 2 2 308.426 0.852 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870001 667810709 /nfs/dbraw/zinc/81/07/09/667810709.db2.gz NCYPSDNEQITWTF-BBRMVZONSA-N 2 2 308.426 0.852 20 30 DCEDLP C#CCCOc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000749923794 667966905 /nfs/dbraw/zinc/96/69/05/667966905.db2.gz NTKSRSYAEGJWNE-UHFFFAOYSA-N 2 2 315.417 0.952 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000890363563 668119251 /nfs/dbraw/zinc/11/92/51/668119251.db2.gz PMKRDCSMDHYUBD-XHSDSOJGSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000890363563 668119255 /nfs/dbraw/zinc/11/92/55/668119255.db2.gz PMKRDCSMDHYUBD-XHSDSOJGSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000890363563 668119257 /nfs/dbraw/zinc/11/92/57/668119257.db2.gz PMKRDCSMDHYUBD-XHSDSOJGSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000890363563 668119259 /nfs/dbraw/zinc/11/92/59/668119259.db2.gz PMKRDCSMDHYUBD-XHSDSOJGSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCOC[C@H]2CC)C1 ZINC000890361447 668119372 /nfs/dbraw/zinc/11/93/72/668119372.db2.gz RGDWQQPUOJCHEO-JKSUJKDBSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)C1 ZINC000890361447 668119373 /nfs/dbraw/zinc/11/93/73/668119373.db2.gz RGDWQQPUOJCHEO-JKSUJKDBSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000890361447 668119375 /nfs/dbraw/zinc/11/93/75/668119375.db2.gz RGDWQQPUOJCHEO-JKSUJKDBSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000890361447 668119376 /nfs/dbraw/zinc/11/93/76/668119376.db2.gz RGDWQQPUOJCHEO-JKSUJKDBSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000890363559 668119435 /nfs/dbraw/zinc/11/94/35/668119435.db2.gz PMKRDCSMDHYUBD-JYJNAYRXSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000890363559 668119438 /nfs/dbraw/zinc/11/94/38/668119438.db2.gz PMKRDCSMDHYUBD-JYJNAYRXSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000890363559 668119440 /nfs/dbraw/zinc/11/94/40/668119440.db2.gz PMKRDCSMDHYUBD-JYJNAYRXSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000890363559 668119442 /nfs/dbraw/zinc/11/94/42/668119442.db2.gz PMKRDCSMDHYUBD-JYJNAYRXSA-N 2 2 322.453 0.492 20 30 DCEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC000924983296 668259952 /nfs/dbraw/zinc/25/99/52/668259952.db2.gz DOTAXXONUYROPU-HNNXBMFYSA-N 2 2 307.438 0.912 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928075540 668549435 /nfs/dbraw/zinc/54/94/35/668549435.db2.gz DKZLRUFYRWJDAG-ILXRZTDVSA-N 2 2 307.463 0.780 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928075540 668549440 /nfs/dbraw/zinc/54/94/40/668549440.db2.gz DKZLRUFYRWJDAG-ILXRZTDVSA-N 2 2 307.463 0.780 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928075540 668549442 /nfs/dbraw/zinc/54/94/42/668549442.db2.gz DKZLRUFYRWJDAG-ILXRZTDVSA-N 2 2 307.463 0.780 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928075540 668549447 /nfs/dbraw/zinc/54/94/47/668549447.db2.gz DKZLRUFYRWJDAG-ILXRZTDVSA-N 2 2 307.463 0.780 20 30 DCEDLP C#C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCO1 ZINC000775572266 668865276 /nfs/dbraw/zinc/86/52/76/668865276.db2.gz QKQQUDMQDRGHJR-QZTJIDSGSA-N 2 2 321.465 0.553 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778388 670187417 /nfs/dbraw/zinc/18/74/17/670187417.db2.gz RNMVJUZOLVNVPB-GJZGRUSLSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001036778388 670187421 /nfs/dbraw/zinc/18/74/21/670187421.db2.gz RNMVJUZOLVNVPB-GJZGRUSLSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000949253609 670296958 /nfs/dbraw/zinc/29/69/58/670296958.db2.gz HYBOPLBDLCVNNW-UHFFFAOYSA-N 2 2 302.378 0.210 20 30 DCEDLP C#C[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000848494280 670691942 /nfs/dbraw/zinc/69/19/42/670691942.db2.gz VKGJBUVSJDHVTL-ZDUSSCGKSA-N 2 2 304.394 0.305 20 30 DCEDLP C#C[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000848494280 670691944 /nfs/dbraw/zinc/69/19/44/670691944.db2.gz VKGJBUVSJDHVTL-ZDUSSCGKSA-N 2 2 304.394 0.305 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001024616763 693811777 /nfs/dbraw/zinc/81/17/77/693811777.db2.gz YMRWUKFWDVHIOM-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024616763 693811785 /nfs/dbraw/zinc/81/17/85/693811785.db2.gz YMRWUKFWDVHIOM-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024616763 693811789 /nfs/dbraw/zinc/81/17/89/693811789.db2.gz YMRWUKFWDVHIOM-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024616763 693811794 /nfs/dbraw/zinc/81/17/94/693811794.db2.gz YMRWUKFWDVHIOM-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024809798 693834644 /nfs/dbraw/zinc/83/46/44/693834644.db2.gz XGIGNQVJQQGZIU-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024809798 693834648 /nfs/dbraw/zinc/83/46/48/693834648.db2.gz XGIGNQVJQQGZIU-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809798 693834651 /nfs/dbraw/zinc/83/46/51/693834651.db2.gz XGIGNQVJQQGZIU-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809798 693834655 /nfs/dbraw/zinc/83/46/55/693834655.db2.gz XGIGNQVJQQGZIU-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303881353 685208517 /nfs/dbraw/zinc/20/85/17/685208517.db2.gz KVCLVIOTZNQSDE-HZPDHXFCSA-N 3 2 324.517 0.259 20 30 DCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303881353 685208524 /nfs/dbraw/zinc/20/85/24/685208524.db2.gz KVCLVIOTZNQSDE-HZPDHXFCSA-N 3 2 324.517 0.259 20 30 DCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017570576 692940731 /nfs/dbraw/zinc/94/07/31/692940731.db2.gz ZKDSNNXNUWXEDD-FZKCQIBNSA-N 2 2 303.406 0.158 20 30 DCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017570576 692940737 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GWLPAHAANSZDAI-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571602470 1162850090 /nfs/dbraw/zinc/85/00/90/1162850090.db2.gz GWLPAHAANSZDAI-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001571640658 1162872577 /nfs/dbraw/zinc/87/25/77/1162872577.db2.gz BUYXLFREOPJIQG-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001571640658 1162872587 /nfs/dbraw/zinc/87/25/87/1162872587.db2.gz BUYXLFREOPJIQG-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755790084 1158261809 /nfs/dbraw/zinc/26/18/09/1158261809.db2.gz BFEGIVJZNKOGTA-CQSZACIVSA-N 2 2 306.410 0.359 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001691677351 1158748215 /nfs/dbraw/zinc/74/82/15/1158748215.db2.gz BBHJIWXHUVVTNU-HNNXBMFYSA-N 2 2 306.410 0.927 20 30 DCEDLP 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2 304.394 0.545 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001569879873 1161293235 /nfs/dbraw/zinc/29/32/35/1161293235.db2.gz GDYDKMLWRSFERY-OKILXGFUSA-N 2 2 304.394 0.545 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001570115338 1161424358 /nfs/dbraw/zinc/42/43/58/1161424358.db2.gz MROHNKQMICEDIY-MRXNPFEDSA-N 2 2 319.449 0.892 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001570115338 1161424371 /nfs/dbraw/zinc/42/43/71/1161424371.db2.gz MROHNKQMICEDIY-MRXNPFEDSA-N 2 2 319.449 0.892 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001661618565 1174141686 /nfs/dbraw/zinc/14/16/86/1174141686.db2.gz UQCKJSQTGBLVOQ-SOUVJXGZSA-N 2 2 318.421 0.885 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665690965 1174551323 /nfs/dbraw/zinc/55/13/23/1174551323.db2.gz AJRNKBGWSXAURM-INIZCTEOSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665690965 1174551328 /nfs/dbraw/zinc/55/13/28/1174551328.db2.gz AJRNKBGWSXAURM-INIZCTEOSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001669839041 1174956267 /nfs/dbraw/zinc/95/62/67/1174956267.db2.gz SRKFCAHDMSEPEW-CYBMUJFWSA-N 2 2 322.409 0.436 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001669839041 1174956270 /nfs/dbraw/zinc/95/62/70/1174956270.db2.gz SRKFCAHDMSEPEW-CYBMUJFWSA-N 2 2 322.409 0.436 20 30 DCEDLP COCC#CC[NH+]1CCC(C)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001671853713 1175040844 /nfs/dbraw/zinc/04/08/44/1175040844.db2.gz CYBZCYOHNJUZCT-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001673747109 1175231196 /nfs/dbraw/zinc/23/11/96/1175231196.db2.gz ITBNYDHZFPELSA-CYBMUJFWSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001673747109 1175231198 /nfs/dbraw/zinc/23/11/98/1175231198.db2.gz ITBNYDHZFPELSA-CYBMUJFWSA-N 2 2 304.394 0.477 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001675368784 1175350843 /nfs/dbraw/zinc/35/08/43/1175350843.db2.gz BJBOGXFPCYTZKG-ZDUSSCGKSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001675368784 1175350848 /nfs/dbraw/zinc/35/08/48/1175350848.db2.gz BJBOGXFPCYTZKG-ZDUSSCGKSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001676488849 1175449720 /nfs/dbraw/zinc/44/97/20/1175449720.db2.gz UULNJOJUIZVQLO-ZIAGYGMSSA-N 2 2 319.409 0.107 20 30 DCEDLP CC#CCN1CC[NH+](CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690069409 1177159340 /nfs/dbraw/zinc/15/93/40/1177159340.db2.gz KDUDNIXNVRXYCG-UHFFFAOYSA-N 2 2 303.410 0.030 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690082334 1177166510 /nfs/dbraw/zinc/16/65/10/1177166510.db2.gz XLYSNELXRIPMIA-MRXNPFEDSA-N 2 2 319.453 0.972 20 30 DCEDLP C=CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690658045 1177297839 /nfs/dbraw/zinc/29/78/39/1177297839.db2.gz AZLXGUSMXVOOTM-ZDUSSCGKSA-N 2 2 319.409 0.083 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001690850249 1177336659 /nfs/dbraw/zinc/33/66/59/1177336659.db2.gz UTRFBQPDLVOYHR-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOCC=C ZINC001692366746 1177497514 /nfs/dbraw/zinc/49/75/14/1177497514.db2.gz KCTWKEHIBOXYJC-ULQDDVLXSA-N 2 2 317.433 0.572 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOCC=C ZINC001692366746 1177497519 /nfs/dbraw/zinc/49/75/19/1177497519.db2.gz KCTWKEHIBOXYJC-ULQDDVLXSA-N 2 2 317.433 0.572 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCC=C ZINC001692366746 1177497523 /nfs/dbraw/zinc/49/75/23/1177497523.db2.gz KCTWKEHIBOXYJC-ULQDDVLXSA-N 2 2 317.433 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOCC=C 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LRMGNGDPQIQGNB-JHJVBQTASA-N 2 2 319.409 0.252 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1conc1C ZINC001714244314 1181293259 /nfs/dbraw/zinc/29/32/59/1181293259.db2.gz RYIAVYXFPGFDCD-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1conc1C ZINC001714244314 1181293262 /nfs/dbraw/zinc/29/32/62/1181293262.db2.gz RYIAVYXFPGFDCD-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001714249408 1181294847 /nfs/dbraw/zinc/29/48/47/1181294847.db2.gz TWRSFUJBMDULKJ-KBPBESRZSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714564250 1181418249 /nfs/dbraw/zinc/41/82/49/1181418249.db2.gz JJAAMEUOWJGQDQ-OAHLLOKOSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714564250 1181418252 /nfs/dbraw/zinc/41/82/52/1181418252.db2.gz JJAAMEUOWJGQDQ-OAHLLOKOSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714564250 1181418255 /nfs/dbraw/zinc/41/82/55/1181418255.db2.gz JJAAMEUOWJGQDQ-OAHLLOKOSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714564250 1181418258 /nfs/dbraw/zinc/41/82/58/1181418258.db2.gz JJAAMEUOWJGQDQ-OAHLLOKOSA-N 2 2 324.469 0.600 20 30 DCEDLP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001714834713 1181567852 /nfs/dbraw/zinc/56/78/52/1181567852.db2.gz JUHOPCVECXANRP-SJORKVTESA-N 2 2 315.417 0.787 20 30 DCEDLP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001714834713 1181567855 /nfs/dbraw/zinc/56/78/55/1181567855.db2.gz JUHOPCVECXANRP-SJORKVTESA-N 2 2 315.417 0.787 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001715020645 1181654646 /nfs/dbraw/zinc/65/46/46/1181654646.db2.gz ABFREIBIVYKJQC-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001715020645 1181654647 /nfs/dbraw/zinc/65/46/47/1181654647.db2.gz ABFREIBIVYKJQC-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001715591627 1181881619 /nfs/dbraw/zinc/88/16/19/1181881619.db2.gz JFKBPAXWIHXAAK-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001715660399 1181930576 /nfs/dbraw/zinc/93/05/76/1181930576.db2.gz OLTXHIOFMONLEU-CABCVRRESA-N 2 2 318.421 0.580 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001717174772 1182709733 /nfs/dbraw/zinc/70/97/33/1182709733.db2.gz HFQZFKHIKKSXBT-ZFWWWQNUSA-N 2 2 304.394 0.449 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717939899 1183078680 /nfs/dbraw/zinc/07/86/80/1183078680.db2.gz PZWSXESWEZFIRX-CQSZACIVSA-N 2 2 308.426 0.864 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717939899 1183078687 /nfs/dbraw/zinc/07/86/87/1183078687.db2.gz PZWSXESWEZFIRX-CQSZACIVSA-N 2 2 308.426 0.864 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001724373817 1184415851 /nfs/dbraw/zinc/41/58/51/1184415851.db2.gz UZPPIYFYHCSKJK-UHFFFAOYSA-N 2 2 318.421 0.942 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001725466281 1184835760 /nfs/dbraw/zinc/83/57/60/1184835760.db2.gz ATKWZWMPEVCNTN-AWEZNQCLSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001731247864 1185213406 /nfs/dbraw/zinc/21/34/06/1185213406.db2.gz LWRSJGOSLISLOI-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001731247864 1185213414 /nfs/dbraw/zinc/21/34/14/1185213414.db2.gz LWRSJGOSLISLOI-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001731523816 1185374196 /nfs/dbraw/zinc/37/41/96/1185374196.db2.gz WVFMSYCGUIBHQR-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001733470315 1186279417 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DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734351999 1186621139 /nfs/dbraw/zinc/62/11/39/1186621139.db2.gz WVEMCFCKVOCVMW-OLZOCXBDSA-N 2 2 321.425 0.090 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001752375581 1188419150 /nfs/dbraw/zinc/41/91/50/1188419150.db2.gz QFCWKPXHFKPTBC-SJORKVTESA-N 2 2 320.481 0.474 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752998615 1188475331 /nfs/dbraw/zinc/47/53/31/1188475331.db2.gz INDCTRBEDFHQRL-CQSZACIVSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752998615 1188475332 /nfs/dbraw/zinc/47/53/32/1188475332.db2.gz INDCTRBEDFHQRL-CQSZACIVSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[NH2+]CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753574258 1188619687 /nfs/dbraw/zinc/61/96/87/1188619687.db2.gz LGXQVIQNNWNXLV-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001753640192 1188628839 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ZINC001053429703 756041952 /nfs/dbraw/zinc/04/19/52/756041952.db2.gz UNLDEECTKTZNDO-LSDHHAIUSA-N 2 2 307.438 0.673 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429703 756041959 /nfs/dbraw/zinc/04/19/59/756041959.db2.gz UNLDEECTKTZNDO-LSDHHAIUSA-N 2 2 307.438 0.673 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1OC ZINC001081810383 756817943 /nfs/dbraw/zinc/81/79/43/756817943.db2.gz XTYTXEVPVWMBRD-QLFBSQMISA-N 2 2 311.401 0.259 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1OC ZINC001081810383 756817949 /nfs/dbraw/zinc/81/79/49/756817949.db2.gz XTYTXEVPVWMBRD-QLFBSQMISA-N 2 2 311.401 0.259 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1OC ZINC001081810383 756817955 /nfs/dbraw/zinc/81/79/55/756817955.db2.gz XTYTXEVPVWMBRD-QLFBSQMISA-N 2 2 311.401 0.259 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCF)C[C@H]1OC ZINC001081810383 756817962 /nfs/dbraw/zinc/81/79/62/756817962.db2.gz 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20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001323517967 947110291 /nfs/dbraw/zinc/11/02/91/947110291.db2.gz FDQGAQCQDCBXJQ-HNNXBMFYSA-N 2 2 305.422 0.501 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001323517967 947110302 /nfs/dbraw/zinc/11/03/02/947110302.db2.gz FDQGAQCQDCBXJQ-HNNXBMFYSA-N 2 2 305.422 0.501 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001324176575 947341735 /nfs/dbraw/zinc/34/17/35/947341735.db2.gz YOKVWXRNZPBLPG-RRFJBIMHSA-N 2 2 316.405 0.744 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001324176575 947341746 /nfs/dbraw/zinc/34/17/46/947341746.db2.gz YOKVWXRNZPBLPG-RRFJBIMHSA-N 2 2 316.405 0.744 20 30 DCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C#CCOC)CC2)CC1 ZINC001261745623 947427599 /nfs/dbraw/zinc/42/75/99/947427599.db2.gz NLKRDTBJWCJPGX-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C#CCOC)CC2)CC1 ZINC001261745623 947427604 /nfs/dbraw/zinc/42/76/04/947427604.db2.gz NLKRDTBJWCJPGX-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200056 947598715 /nfs/dbraw/zinc/59/87/15/947598715.db2.gz IWXTWWBDTAVQHM-KGLIPLIRSA-N 2 2 306.410 0.651 20 30 DCEDLP C=CC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200056 947598711 /nfs/dbraw/zinc/59/87/11/947598711.db2.gz IWXTWWBDTAVQHM-KGLIPLIRSA-N 2 2 306.410 0.651 20 30 DCEDLP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001325864495 947959104 /nfs/dbraw/zinc/95/91/04/947959104.db2.gz GENCUXFMQNXIHM-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001325864495 947959112 /nfs/dbraw/zinc/95/91/12/947959112.db2.gz GENCUXFMQNXIHM-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001327005139 948360652 /nfs/dbraw/zinc/36/06/52/948360652.db2.gz RPGQIIHUOZWKLC-GOEBONIOSA-N 2 2 318.421 0.839 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001327034192 948372514 /nfs/dbraw/zinc/37/25/14/948372514.db2.gz JRJSQPCTCOGAQF-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001327034192 948372519 /nfs/dbraw/zinc/37/25/19/948372519.db2.gz JRJSQPCTCOGAQF-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273886194 948655996 /nfs/dbraw/zinc/65/59/96/948655996.db2.gz WIHVQCDOOLNCEH-GDBMZVCRSA-N 2 2 304.394 0.497 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273886194 948656001 /nfs/dbraw/zinc/65/60/01/948656001.db2.gz WIHVQCDOOLNCEH-GDBMZVCRSA-N 2 2 304.394 0.497 20 30 DCEDLP C=CCOCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001328555398 948963701 /nfs/dbraw/zinc/96/37/01/948963701.db2.gz YSURQCOKRIYMMA-UHFFFAOYSA-N 2 2 322.409 0.098 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264545448 949001917 /nfs/dbraw/zinc/00/19/17/949001917.db2.gz OISMKXBEQYROHS-PMPSAXMXSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264545448 949001933 /nfs/dbraw/zinc/00/19/33/949001933.db2.gz OISMKXBEQYROHS-PMPSAXMXSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001264568240 949009032 /nfs/dbraw/zinc/00/90/32/949009032.db2.gz UDTPXUAUSXMAMK-CVEARBPZSA-N 2 2 318.421 0.750 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001488806532 949202651 /nfs/dbraw/zinc/20/26/51/949202651.db2.gz XKLWDBHOBFNQGX-MELADBBJSA-N 2 2 319.409 0.058 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001329788132 949872724 /nfs/dbraw/zinc/87/27/24/949872724.db2.gz UXZSRVHUBFZECR-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265989922 950237675 /nfs/dbraw/zinc/23/76/75/950237675.db2.gz KHDPASMLHLKRJD-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001279529035 950615457 /nfs/dbraw/zinc/61/54/57/950615457.db2.gz IDTUSVMWJTTWNI-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001279529035 950615477 /nfs/dbraw/zinc/61/54/77/950615477.db2.gz IDTUSVMWJTTWNI-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001280659694 951023981 /nfs/dbraw/zinc/02/39/81/951023981.db2.gz MSAFOPYFVNPXBC-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCOCC1)CO2 ZINC001280961881 951188844 /nfs/dbraw/zinc/18/88/44/951188844.db2.gz LUVYLNBEZIWUPB-HNNXBMFYSA-N 2 2 323.437 0.244 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001331977269 951419392 /nfs/dbraw/zinc/41/93/92/951419392.db2.gz VMWWRAXCGPFHNV-UONOGXRCSA-N 2 2 323.437 0.862 20 30 DCEDLP C#CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC[NH+](C)CC1 ZINC001332319266 951584997 /nfs/dbraw/zinc/58/49/97/951584997.db2.gz HDHOUUPLPPMZDE-OAHLLOKOSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC[NH+](C)CC1 ZINC001332319266 951585006 /nfs/dbraw/zinc/58/50/06/951585006.db2.gz HDHOUUPLPPMZDE-OAHLLOKOSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274655892 951770292 /nfs/dbraw/zinc/77/02/92/951770292.db2.gz LGHZZBLUWVEYCT-BZUAXINKSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274655892 951770300 /nfs/dbraw/zinc/77/03/00/951770300.db2.gz LGHZZBLUWVEYCT-BZUAXINKSA-N 2 2 307.438 0.388 20 30 DCEDLP COCC#CC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001279171311 951796791 /nfs/dbraw/zinc/79/67/91/951796791.db2.gz HAPOOOJSLCMLKE-HNNXBMFYSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001274755690 951825792 /nfs/dbraw/zinc/82/57/92/951825792.db2.gz LSJCIGOSNNYRCP-AWEZNQCLSA-N 2 2 306.410 0.487 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@H]21 ZINC001275606191 952305486 /nfs/dbraw/zinc/30/54/86/952305486.db2.gz ZIWIXCUZOZAEOG-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)n3)C[C@H]21 ZINC001275606191 952305493 /nfs/dbraw/zinc/30/54/93/952305493.db2.gz ZIWIXCUZOZAEOG-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001341304836 953222288 /nfs/dbraw/zinc/22/22/88/953222288.db2.gz OYSWYLVQMPFVPF-ZIAGYGMSSA-N 2 2 320.437 0.841 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001284130365 954868897 /nfs/dbraw/zinc/86/88/97/954868897.db2.gz KZBCHBRLBZBMQC-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001284130365 954868901 /nfs/dbraw/zinc/86/89/01/954868901.db2.gz KZBCHBRLBZBMQC-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2CCC[NH2+][C@H]2C1(C)C ZINC001349838753 954903370 /nfs/dbraw/zinc/90/33/70/954903370.db2.gz JPEOKPKAPGKWOM-CDGCEXEKSA-N 2 2 309.410 0.326 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001284425007 955083270 /nfs/dbraw/zinc/08/32/70/955083270.db2.gz LPJMOXQKOONKKQ-CQSZACIVSA-N 2 2 308.426 0.912 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H](C2CC2)[NH+](C)C)CC1 ZINC001300685004 956462443 /nfs/dbraw/zinc/46/24/43/956462443.db2.gz DHORYCBBUUNVTG-MRXNPFEDSA-N 2 2 316.453 0.682 20 30 DCEDLP C[NH+](C)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cn1 ZINC001292881940 957186119 /nfs/dbraw/zinc/18/61/19/957186119.db2.gz WUEKKFIAEFGZND-UHFFFAOYSA-N 2 2 301.394 0.861 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001357415110 957278702 /nfs/dbraw/zinc/27/87/02/957278702.db2.gz WANHSSWVSDLNMI-RDJZCZTQSA-N 2 2 315.417 0.615 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001357415110 957278710 /nfs/dbraw/zinc/27/87/10/957278710.db2.gz WANHSSWVSDLNMI-RDJZCZTQSA-N 2 2 315.417 0.615 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001491822494 959270324 /nfs/dbraw/zinc/27/03/24/959270324.db2.gz XOHSIULTAIBFRP-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001527865187 1015554741 /nfs/dbraw/zinc/55/47/41/1015554741.db2.gz QPKWQIOQINMCAG-HZPDHXFCSA-N 2 2 321.469 0.019 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC001527865187 1015554746 /nfs/dbraw/zinc/55/47/46/1015554746.db2.gz QPKWQIOQINMCAG-HZPDHXFCSA-N 2 2 321.469 0.019 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001464868467 1015959840 /nfs/dbraw/zinc/95/98/40/1015959840.db2.gz HTCSTHHOTRLVFH-UHFFFAOYSA-N 2 2 307.398 0.272 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001502574097 1015979296 /nfs/dbraw/zinc/97/92/96/1015979296.db2.gz ZEFGNLXERJFUEB-MRXNPFEDSA-N 2 2 304.394 0.309 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001508042363 1016620896 /nfs/dbraw/zinc/62/08/96/1016620896.db2.gz CCXVPVALNGDSCA-AWEZNQCLSA-N 2 2 306.410 0.653 20 30 DCEDLP N#Cc1ccccc1C[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441799201 1008509201 /nfs/dbraw/zinc/50/92/01/1008509201.db2.gz QQZAVNFJDRKGLF-MRXNPFEDSA-N 2 2 316.405 0.221 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001479306410 1017489861 /nfs/dbraw/zinc/48/98/61/1017489861.db2.gz REDLLTVCAJOEQB-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nncs1 ZINC001497207098 1017968281 /nfs/dbraw/zinc/96/82/81/1017968281.db2.gz GVGLMNZVBOLBPB-STQMWFEESA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nncs1 ZINC001497207098 1017968296 /nfs/dbraw/zinc/96/82/96/1017968296.db2.gz GVGLMNZVBOLBPB-STQMWFEESA-N 2 2 321.450 0.620 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001500047791 1018187712 /nfs/dbraw/zinc/18/77/12/1018187712.db2.gz XWDQPNCRGUZFIJ-CQSZACIVSA-N 2 2 318.421 0.913 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501655820 1019360133 /nfs/dbraw/zinc/36/01/33/1019360133.db2.gz ZQJOXOVOXIUSEI-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cnc(C)o1 ZINC001496719179 1019572017 /nfs/dbraw/zinc/57/20/17/1019572017.db2.gz ZQJFYSTWFFZFQF-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cnc(C)o1 ZINC001496719179 1019572026 /nfs/dbraw/zinc/57/20/26/1019572026.db2.gz ZQJFYSTWFFZFQF-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cnc(C)o1 ZINC001496719179 1019572041 /nfs/dbraw/zinc/57/20/41/1019572041.db2.gz ZQJFYSTWFFZFQF-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cnc(C)o1 ZINC001496719179 1019572056 /nfs/dbraw/zinc/57/20/56/1019572056.db2.gz ZQJFYSTWFFZFQF-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C[NH+]=C(NCCc1cc[nH+]cc1C)NCCN1CCOCC1 ZINC000162896381 530039232 /nfs/dbraw/zinc/03/92/32/530039232.db2.gz VYDNZDBEJDKSIR-UHFFFAOYSA-N 2 2 305.426 0.430 20 30 DCEDLP [NH2+]=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)NC1CC1 ZINC000264098887 238189255 /nfs/dbraw/zinc/18/92/55/238189255.db2.gz NJPMRRYVRUZRJH-UHFFFAOYSA-N 2 2 318.421 0.964 20 30 DCEDLP [NH2+]=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCOCC1 ZINC000264109114 238191414 /nfs/dbraw/zinc/19/14/14/238191414.db2.gz OHBDSLVHFCBCQD-INIZCTEOSA-N 2 2 318.421 0.534 20 30 DCEDLP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCOCC1 ZINC000264109114 238191417 /nfs/dbraw/zinc/19/14/17/238191417.db2.gz OHBDSLVHFCBCQD-INIZCTEOSA-N 2 2 318.421 0.534 20 30 DCEDLP C[C@@H]1CCCN(C(=[NH2+])NCC2([NH+]3CCOCC3)CCOCC2)C1 ZINC000263209088 533634639 /nfs/dbraw/zinc/63/46/39/533634639.db2.gz YTBPXECKYQGGIZ-OAHLLOKOSA-N 2 2 324.469 0.914 20 30 DCEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581784539 396583178 /nfs/dbraw/zinc/58/31/78/396583178.db2.gz UQLLDBIURRFQAA-UHFFFAOYSA-N 2 2 315.381 0.188 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716966 396650596 /nfs/dbraw/zinc/65/05/96/396650596.db2.gz NQDMCTUTMMBWJT-HOTGVXAUSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716966 396650599 /nfs/dbraw/zinc/65/05/99/396650599.db2.gz NQDMCTUTMMBWJT-HOTGVXAUSA-N 2 2 322.453 0.934 20 30 DCEDLP N#Cc1ccc(CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000595887917 396675998 /nfs/dbraw/zinc/67/59/98/396675998.db2.gz HTCTXPAWXRPKRJ-KRWDZBQOSA-N 2 2 312.417 0.997 20 30 DCEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000595887917 396676001 /nfs/dbraw/zinc/67/60/01/396676001.db2.gz HTCTXPAWXRPKRJ-KRWDZBQOSA-N 2 2 312.417 0.997 20 30 DCEDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H](C)CCC#N ZINC000602649716 397454991 /nfs/dbraw/zinc/45/49/91/397454991.db2.gz XSTZHOLDVCBULN-HNNXBMFYSA-N 2 2 310.442 0.649 20 30 DCEDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H](C)CCC#N ZINC000602649716 397454996 /nfs/dbraw/zinc/45/49/96/397454996.db2.gz XSTZHOLDVCBULN-HNNXBMFYSA-N 2 2 310.442 0.649 20 30 DCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763164 415316909 /nfs/dbraw/zinc/31/69/09/415316909.db2.gz BNELVAKVJFYLQL-HNNXBMFYSA-N 2 2 324.469 0.505 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170892 415922269 /nfs/dbraw/zinc/92/22/69/415922269.db2.gz FOBRTEAYFKCFKX-CVEARBPZSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170892 415922274 /nfs/dbraw/zinc/92/22/74/415922274.db2.gz FOBRTEAYFKCFKX-CVEARBPZSA-N 2 2 307.438 0.818 20 30 DCEDLP C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160035029 416007542 /nfs/dbraw/zinc/00/75/42/416007542.db2.gz HUYPOWZEELETKQ-KBPBESRZSA-N 2 2 320.441 0.866 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339438169 416157559 /nfs/dbraw/zinc/15/75/59/416157559.db2.gz ASIXAIRLDWTZGK-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438169 416157549 /nfs/dbraw/zinc/15/75/49/416157549.db2.gz ASIXAIRLDWTZGK-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339438169 416157554 /nfs/dbraw/zinc/15/75/54/416157554.db2.gz ASIXAIRLDWTZGK-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339438169 416157556 /nfs/dbraw/zinc/15/75/56/416157556.db2.gz ASIXAIRLDWTZGK-CJNGLKHVSA-N 2 2 308.426 0.804 20 30 DCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329379751 416166766 /nfs/dbraw/zinc/16/67/66/416166766.db2.gz PNEVERAPTOZKIP-OAHLLOKOSA-N 2 2 309.458 0.363 20 30 DCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329379751 416166771 /nfs/dbraw/zinc/16/67/71/416166771.db2.gz PNEVERAPTOZKIP-OAHLLOKOSA-N 2 2 309.458 0.363 20 30 DCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000330283771 416200229 /nfs/dbraw/zinc/20/02/29/416200229.db2.gz WNSDVTRUDAOKEN-MRXNPFEDSA-N 2 2 323.485 0.610 20 30 DCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000330283771 416200231 /nfs/dbraw/zinc/20/02/31/416200231.db2.gz WNSDVTRUDAOKEN-MRXNPFEDSA-N 2 2 323.485 0.610 20 30 DCEDLP CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000330620701 416218116 /nfs/dbraw/zinc/21/81/16/416218116.db2.gz KWDOKNJNCRYVMY-CYBMUJFWSA-N 2 2 307.398 0.482 20 30 DCEDLP CN(C)c1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000330620701 416218121 /nfs/dbraw/zinc/21/81/21/416218121.db2.gz KWDOKNJNCRYVMY-CYBMUJFWSA-N 2 2 307.398 0.482 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350905 416418673 /nfs/dbraw/zinc/41/86/73/416418673.db2.gz IJXXRLNMPPXDOY-CHWSQXEVSA-N 2 2 311.451 0.903 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350905 416418674 /nfs/dbraw/zinc/41/86/74/416418674.db2.gz IJXXRLNMPPXDOY-CHWSQXEVSA-N 2 2 311.451 0.903 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000491638038 416607719 /nfs/dbraw/zinc/60/77/19/416607719.db2.gz ZESOEMMIQVYOFG-OIISXLGYSA-N 2 2 317.433 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](CC)C[C@H]2CC)CC1 ZINC000491641779 416610509 /nfs/dbraw/zinc/61/05/09/416610509.db2.gz SXMILASCBCZACC-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](CC)C[C@H]2CC)CC1 ZINC000491641779 416610514 /nfs/dbraw/zinc/61/05/14/416610514.db2.gz SXMILASCBCZACC-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CC[C@@H](C)C2)CC1 ZINC000491672450 416613920 /nfs/dbraw/zinc/61/39/20/416613920.db2.gz RWECCSFQVCHXPD-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)CC1 ZINC000491672450 416613924 /nfs/dbraw/zinc/61/39/24/416613924.db2.gz RWECCSFQVCHXPD-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCC(=O)OC)CC(C)C)CC1 ZINC000490761999 416574805 /nfs/dbraw/zinc/57/48/05/416574805.db2.gz ZDSCHLGNQMBTSD-UHFFFAOYSA-N 2 2 323.437 0.285 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCC(=O)OC)CC(C)C)CC1 ZINC000490761999 416574810 /nfs/dbraw/zinc/57/48/10/416574810.db2.gz ZDSCHLGNQMBTSD-UHFFFAOYSA-N 2 2 323.437 0.285 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000490865828 416577043 /nfs/dbraw/zinc/57/70/43/416577043.db2.gz IIUKPGSBUPGKDX-INIZCTEOSA-N 2 2 320.481 0.615 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(CC)(CC)CC(=O)OC)CC1 ZINC000490866597 416577464 /nfs/dbraw/zinc/57/74/64/416577464.db2.gz RGOHHDUJAVORAY-UHFFFAOYSA-N 2 2 323.437 0.475 20 30 DCEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000576658681 417627832 /nfs/dbraw/zinc/62/78/32/417627832.db2.gz NJAFGJWABSMNGD-HNNXBMFYSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000576658681 417627834 /nfs/dbraw/zinc/62/78/34/417627834.db2.gz NJAFGJWABSMNGD-HNNXBMFYSA-N 2 2 322.453 0.934 20 30 DCEDLP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000662737463 417879859 /nfs/dbraw/zinc/87/98/59/417879859.db2.gz ZOVXPSZDLHLHEU-CRAIPNDOSA-N 3 2 320.481 0.969 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150753135 332194899 /nfs/dbraw/zinc/19/48/99/332194899.db2.gz IGOMDMOXAUGEGG-ZIAGYGMSSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150753135 332194900 /nfs/dbraw/zinc/19/49/00/332194900.db2.gz IGOMDMOXAUGEGG-ZIAGYGMSSA-N 2 2 308.426 0.804 20 30 DCEDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000563958287 336388415 /nfs/dbraw/zinc/38/84/15/336388415.db2.gz PMWRBLXWNFPMRQ-CABCVRRESA-N 2 2 307.394 0.004 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000491041039 339846628 /nfs/dbraw/zinc/84/66/28/339846628.db2.gz XBAFDXCQYPPJMX-CQSZACIVSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000363926470 526921592 /nfs/dbraw/zinc/92/15/92/526921592.db2.gz BASAFEIKXXZMBA-INIZCTEOSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978412571 660534998 /nfs/dbraw/zinc/53/49/98/660534998.db2.gz TXXJKTFBHSBHRR-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978412571 660535001 /nfs/dbraw/zinc/53/50/01/660535001.db2.gz TXXJKTFBHSBHRR-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629077 661182998 /nfs/dbraw/zinc/18/29/98/661182998.db2.gz CIFJTHNPVPJPQN-UHFFFAOYSA-N 2 2 300.406 0.929 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981629077 661182999 /nfs/dbraw/zinc/18/29/99/661182999.db2.gz CIFJTHNPVPJPQN-UHFFFAOYSA-N 2 2 300.406 0.929 20 30 DCEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820106 661223442 /nfs/dbraw/zinc/22/34/42/661223442.db2.gz JOKKDGUWYCPZPK-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820106 661223444 /nfs/dbraw/zinc/22/34/44/661223444.db2.gz JOKKDGUWYCPZPK-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820106 661223445 /nfs/dbraw/zinc/22/34/45/661223445.db2.gz JOKKDGUWYCPZPK-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820106 661223447 /nfs/dbraw/zinc/22/34/47/661223447.db2.gz JOKKDGUWYCPZPK-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCF)C2 ZINC000981819353 661223191 /nfs/dbraw/zinc/22/31/91/661223191.db2.gz YOJFFLVWZQEXIW-HNNXBMFYSA-N 2 2 307.413 0.978 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCF)C2 ZINC000981819353 661223192 /nfs/dbraw/zinc/22/31/92/661223192.db2.gz YOJFFLVWZQEXIW-HNNXBMFYSA-N 2 2 307.413 0.978 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCF)C2 ZINC000981819353 661223195 /nfs/dbraw/zinc/22/31/95/661223195.db2.gz YOJFFLVWZQEXIW-HNNXBMFYSA-N 2 2 307.413 0.978 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCF)C2 ZINC000981819353 661223197 /nfs/dbraw/zinc/22/31/97/661223197.db2.gz YOJFFLVWZQEXIW-HNNXBMFYSA-N 2 2 307.413 0.978 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420509 657486684 /nfs/dbraw/zinc/48/66/84/657486684.db2.gz PJHBIVYPLKYVCB-JSGCOSHPSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000949253452 657513299 /nfs/dbraw/zinc/51/32/99/657513299.db2.gz BIXKQJCTUGYSLF-UHFFFAOYSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001022220770 657567723 /nfs/dbraw/zinc/56/77/23/657567723.db2.gz OGVQCBWBUOTORK-ZNMIVQPWSA-N 2 2 302.378 0.509 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001022220770 657567726 /nfs/dbraw/zinc/56/77/26/657567726.db2.gz OGVQCBWBUOTORK-ZNMIVQPWSA-N 2 2 302.378 0.509 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551515 657758130 /nfs/dbraw/zinc/75/81/30/657758130.db2.gz BNRZPUSMPDSQGS-NVXWUHKLSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551515 657758137 /nfs/dbraw/zinc/75/81/37/657758137.db2.gz BNRZPUSMPDSQGS-NVXWUHKLSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551515 657758147 /nfs/dbraw/zinc/75/81/47/657758147.db2.gz BNRZPUSMPDSQGS-NVXWUHKLSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551515 657758155 /nfs/dbraw/zinc/75/81/55/657758155.db2.gz BNRZPUSMPDSQGS-NVXWUHKLSA-N 2 2 307.438 0.818 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949395078 657997178 /nfs/dbraw/zinc/99/71/78/657997178.db2.gz MFABGULVBBSJFO-OAHLLOKOSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949395078 657997180 /nfs/dbraw/zinc/99/71/80/657997180.db2.gz MFABGULVBBSJFO-OAHLLOKOSA-N 2 2 307.438 0.653 20 30 DCEDLP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039350730 658486881 /nfs/dbraw/zinc/48/68/81/658486881.db2.gz LNDQQCNBGKDBFX-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039350730 658486883 /nfs/dbraw/zinc/48/68/83/658486883.db2.gz LNDQQCNBGKDBFX-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350730 658486886 /nfs/dbraw/zinc/48/68/86/658486886.db2.gz LNDQQCNBGKDBFX-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350730 658486889 /nfs/dbraw/zinc/48/68/89/658486889.db2.gz LNDQQCNBGKDBFX-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028995762 661926035 /nfs/dbraw/zinc/92/60/35/661926035.db2.gz TYRBKLQVOARBQC-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028995762 661926037 /nfs/dbraw/zinc/92/60/37/661926037.db2.gz TYRBKLQVOARBQC-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995762 661926039 /nfs/dbraw/zinc/92/60/39/661926039.db2.gz TYRBKLQVOARBQC-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028995762 661926041 /nfs/dbraw/zinc/92/60/41/661926041.db2.gz TYRBKLQVOARBQC-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784810 665822977 /nfs/dbraw/zinc/82/29/77/665822977.db2.gz KPRUDXSOUSBCLF-JYJNAYRXSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784810 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318.421 0.115 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000732066379 664899703 /nfs/dbraw/zinc/89/97/03/664899703.db2.gz FRBAWIUSDVADQN-UHFFFAOYSA-N 2 2 307.438 0.656 20 30 DCEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000925452616 665169408 /nfs/dbraw/zinc/16/94/08/665169408.db2.gz XBVDZMYFBOXYGU-GJZGRUSLSA-N 2 2 322.453 0.837 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000919127442 665198445 /nfs/dbraw/zinc/19/84/45/665198445.db2.gz QSJBLMKYTBAMQD-OAHLLOKOSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000919127442 665198446 /nfs/dbraw/zinc/19/84/46/665198446.db2.gz QSJBLMKYTBAMQD-OAHLLOKOSA-N 2 2 308.426 0.104 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530276 665313077 /nfs/dbraw/zinc/31/30/77/665313077.db2.gz KCVCDMJTPAGUOK-BFKWJSRZSA-N 2 2 315.417 0.158 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530276 665313079 /nfs/dbraw/zinc/31/30/79/665313079.db2.gz KCVCDMJTPAGUOK-BFKWJSRZSA-N 2 2 315.417 0.158 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530276 665313083 /nfs/dbraw/zinc/31/30/83/665313083.db2.gz KCVCDMJTPAGUOK-BFKWJSRZSA-N 2 2 315.417 0.158 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530276 665313085 /nfs/dbraw/zinc/31/30/85/665313085.db2.gz KCVCDMJTPAGUOK-BFKWJSRZSA-N 2 2 315.417 0.158 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567031 666023912 /nfs/dbraw/zinc/02/39/12/666023912.db2.gz OXLHZFCJPCUSFL-RDJZCZTQSA-N 2 2 318.465 0.036 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567031 666023913 /nfs/dbraw/zinc/02/39/13/666023913.db2.gz OXLHZFCJPCUSFL-RDJZCZTQSA-N 2 2 318.465 0.036 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H](CC)OC)C1 ZINC001032827181 666207160 /nfs/dbraw/zinc/20/71/60/666207160.db2.gz RMBXCZHMNZKPSD-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H](CC)OC)C1 ZINC001032827181 666207161 /nfs/dbraw/zinc/20/71/61/666207161.db2.gz RMBXCZHMNZKPSD-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](CC)OC)C1 ZINC001032827181 666207162 /nfs/dbraw/zinc/20/71/62/666207162.db2.gz RMBXCZHMNZKPSD-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](CC)OC)C1 ZINC001032827181 666207164 /nfs/dbraw/zinc/20/71/64/666207164.db2.gz RMBXCZHMNZKPSD-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001032827205 666207444 /nfs/dbraw/zinc/20/74/44/666207444.db2.gz YAUDBPUDVOSCEK-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001032827205 666207446 /nfs/dbraw/zinc/20/74/46/666207446.db2.gz YAUDBPUDVOSCEK-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC001032827205 666207449 /nfs/dbraw/zinc/20/74/49/666207449.db2.gz YAUDBPUDVOSCEK-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H]2CCOC2)C1 ZINC001032827205 666207452 /nfs/dbraw/zinc/20/74/52/666207452.db2.gz YAUDBPUDVOSCEK-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032838292 666298665 /nfs/dbraw/zinc/29/86/65/666298665.db2.gz GTMWDRFEAVVAOK-KFWWJZLASA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032838292 666298667 /nfs/dbraw/zinc/29/86/67/666298667.db2.gz GTMWDRFEAVVAOK-KFWWJZLASA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032838292 666298668 /nfs/dbraw/zinc/29/86/68/666298668.db2.gz GTMWDRFEAVVAOK-KFWWJZLASA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032838292 666298670 /nfs/dbraw/zinc/29/86/70/666298670.db2.gz GTMWDRFEAVVAOK-KFWWJZLASA-N 2 2 320.437 0.058 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096799 666503345 /nfs/dbraw/zinc/50/33/45/666503345.db2.gz NKXYQNBEHFUPFI-HNNXBMFYSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096799 666503346 /nfs/dbraw/zinc/50/33/46/666503346.db2.gz NKXYQNBEHFUPFI-HNNXBMFYSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995975066 666724806 /nfs/dbraw/zinc/72/48/06/666724806.db2.gz OAYJKQLNVQSRDP-DZGCQCFKSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035424866 667330564 /nfs/dbraw/zinc/33/05/64/667330564.db2.gz SITUASDJIFEYJI-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205733 667498462 /nfs/dbraw/zinc/49/84/62/667498462.db2.gz DRGGVALEEZIEDK-HOTGVXAUSA-N 2 2 321.469 0.019 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205733 667498465 /nfs/dbraw/zinc/49/84/65/667498465.db2.gz DRGGVALEEZIEDK-HOTGVXAUSA-N 2 2 321.469 0.019 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000884227515 667504629 /nfs/dbraw/zinc/50/46/29/667504629.db2.gz RHDRWBWVXWIMCG-KGLIPLIRSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000884227515 667504631 /nfs/dbraw/zinc/50/46/31/667504631.db2.gz RHDRWBWVXWIMCG-KGLIPLIRSA-N 2 2 311.426 0.766 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036755711 670175001 /nfs/dbraw/zinc/17/50/01/670175001.db2.gz BEGXVCSHWUOYFA-BBRMVZONSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036755711 670175004 /nfs/dbraw/zinc/17/50/04/670175004.db2.gz BEGXVCSHWUOYFA-BBRMVZONSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000949320920 670312433 /nfs/dbraw/zinc/31/24/33/670312433.db2.gz WPPXBAXMLUFPMK-OAHLLOKOSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949320920 670312436 /nfs/dbraw/zinc/31/24/36/670312436.db2.gz WPPXBAXMLUFPMK-OAHLLOKOSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949320920 670312438 /nfs/dbraw/zinc/31/24/38/670312438.db2.gz WPPXBAXMLUFPMK-OAHLLOKOSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949320920 670312442 /nfs/dbraw/zinc/31/24/42/670312442.db2.gz WPPXBAXMLUFPMK-OAHLLOKOSA-N 2 2 305.422 0.407 20 30 DCEDLP C#C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854004107 670514294 /nfs/dbraw/zinc/51/42/94/670514294.db2.gz NQCJJCUDNGEHGN-GJZGRUSLSA-N 2 2 310.442 0.350 20 30 DCEDLP C#C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854004107 670514296 /nfs/dbraw/zinc/51/42/96/670514296.db2.gz NQCJJCUDNGEHGN-GJZGRUSLSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000821212450 671262768 /nfs/dbraw/zinc/26/27/68/671262768.db2.gz FMGTYLGAFYCTKW-UHFFFAOYSA-N 2 2 319.453 0.610 20 30 DCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000821212450 671262771 /nfs/dbraw/zinc/26/27/71/671262771.db2.gz FMGTYLGAFYCTKW-UHFFFAOYSA-N 2 2 319.453 0.610 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)N(CCn1cc[nH+]c1)Cc1cnn(C)c1 ZINC000846094348 672293479 /nfs/dbraw/zinc/29/34/79/672293479.db2.gz GDEZZUHEKMJDJN-UHFFFAOYSA-N 2 2 316.409 0.763 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020250435 693746043 /nfs/dbraw/zinc/74/60/43/693746043.db2.gz FURABDSNUIVTIG-KKUMJFAQSA-N 2 2 313.405 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncccn2)C1 ZINC001020250435 693746048 /nfs/dbraw/zinc/74/60/48/693746048.db2.gz FURABDSNUIVTIG-KKUMJFAQSA-N 2 2 313.405 0.311 20 30 DCEDLP CCC(CC)[C@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCOCC1 ZINC000303787873 685206854 /nfs/dbraw/zinc/20/68/54/685206854.db2.gz TUKKSOPYDNDDOW-HNNXBMFYSA-N 2 2 312.458 0.770 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000958282996 687509579 /nfs/dbraw/zinc/50/95/79/687509579.db2.gz DREMUGYFRIZZBZ-DOTOQJQBSA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000958282996 687509582 /nfs/dbraw/zinc/50/95/82/687509582.db2.gz DREMUGYFRIZZBZ-DOTOQJQBSA-N 2 2 324.384 0.528 20 30 DCEDLP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017440056 692916212 /nfs/dbraw/zinc/91/62/12/692916212.db2.gz BKPXDCXSEHCNBP-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017440056 692916215 /nfs/dbraw/zinc/91/62/15/692916215.db2.gz BKPXDCXSEHCNBP-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440056 692916218 /nfs/dbraw/zinc/91/62/18/692916218.db2.gz BKPXDCXSEHCNBP-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440056 692916222 /nfs/dbraw/zinc/91/62/22/692916222.db2.gz BKPXDCXSEHCNBP-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001018986200 693308315 /nfs/dbraw/zinc/30/83/15/693308315.db2.gz VKPJPZLJBOUJAP-KBPBESRZSA-N 2 2 317.393 0.166 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001018986200 693308318 /nfs/dbraw/zinc/30/83/18/693308318.db2.gz VKPJPZLJBOUJAP-KBPBESRZSA-N 2 2 317.393 0.166 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633825 694756592 /nfs/dbraw/zinc/75/65/92/694756592.db2.gz HTFFEADHKVCMCM-HUUCEWRRSA-N 2 2 316.405 0.601 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633825 694756593 /nfs/dbraw/zinc/75/65/93/694756593.db2.gz HTFFEADHKVCMCM-HUUCEWRRSA-N 2 2 316.405 0.601 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074327735 694868568 /nfs/dbraw/zinc/86/85/68/694868568.db2.gz YUHCSOAMDBZOMQ-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074327735 694868570 /nfs/dbraw/zinc/86/85/70/694868570.db2.gz YUHCSOAMDBZOMQ-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074385778 694883451 /nfs/dbraw/zinc/88/34/51/694883451.db2.gz WZDIUELQZJSQFA-HOTGVXAUSA-N 2 2 319.449 0.960 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074385778 694883452 /nfs/dbraw/zinc/88/34/52/694883452.db2.gz WZDIUELQZJSQFA-HOTGVXAUSA-N 2 2 319.449 0.960 20 30 DCEDLP C=CC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001571436152 1162754245 /nfs/dbraw/zinc/75/42/45/1162754245.db2.gz SNSSFJKGFDBKSU-CQSZACIVSA-N 2 2 300.362 0.739 20 30 DCEDLP C=CCC[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001691942673 1157785489 /nfs/dbraw/zinc/78/54/89/1157785489.db2.gz LFXBAFQHFXBWSX-UHFFFAOYSA-N 2 2 305.426 0.604 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCOC(C)C ZINC001567858777 1160506380 /nfs/dbraw/zinc/50/63/80/1160506380.db2.gz WYXASESSHGVLDS-ULQDDVLXSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCOC(C)C ZINC001567858777 1160506386 /nfs/dbraw/zinc/50/63/86/1160506386.db2.gz WYXASESSHGVLDS-ULQDDVLXSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC(C)C ZINC001567858777 1160506388 /nfs/dbraw/zinc/50/63/88/1160506388.db2.gz WYXASESSHGVLDS-ULQDDVLXSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCOC(C)C ZINC001567858777 1160506394 /nfs/dbraw/zinc/50/63/94/1160506394.db2.gz WYXASESSHGVLDS-ULQDDVLXSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569541723 1161093023 /nfs/dbraw/zinc/09/30/23/1161093023.db2.gz MCCMINASTSCSTH-HNNXBMFYSA-N 2 2 300.406 0.976 20 30 DCEDLP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001650162428 1173490203 /nfs/dbraw/zinc/49/02/03/1173490203.db2.gz XLZZBMKRCYSKEB-HRCADAONSA-N 2 2 324.469 0.282 20 30 DCEDLP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001650162428 1173490210 /nfs/dbraw/zinc/49/02/10/1173490210.db2.gz XLZZBMKRCYSKEB-HRCADAONSA-N 2 2 324.469 0.282 20 30 DCEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2Cc3c[nH+]cn3C2)cc1 ZINC001650164456 1173491974 /nfs/dbraw/zinc/49/19/74/1173491974.db2.gz OFJAQOLORHIPMW-ZDUSSCGKSA-N 2 2 316.386 0.743 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001661135975 1174099528 /nfs/dbraw/zinc/09/95/28/1174099528.db2.gz CMVUHELOAXYOBF-RBSFLKMASA-N 2 2 316.405 0.647 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001661135975 1174099532 /nfs/dbraw/zinc/09/95/32/1174099532.db2.gz CMVUHELOAXYOBF-RBSFLKMASA-N 2 2 316.405 0.647 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001664760511 1174455379 /nfs/dbraw/zinc/45/53/79/1174455379.db2.gz UKZINFLHZYCRNW-CQSZACIVSA-N 2 2 319.409 0.014 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001664760511 1174455381 /nfs/dbraw/zinc/45/53/81/1174455381.db2.gz UKZINFLHZYCRNW-CQSZACIVSA-N 2 2 319.409 0.014 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001667346296 1174677036 /nfs/dbraw/zinc/67/70/36/1174677036.db2.gz PITXHDZZCVSPON-HUUCEWRRSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)no1 ZINC001668092679 1174755507 /nfs/dbraw/zinc/75/55/07/1174755507.db2.gz XGTRCTGHIQJLSR-OCCSQVGLSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(C)no1 ZINC001668092679 1174755512 /nfs/dbraw/zinc/75/55/12/1174755512.db2.gz XGTRCTGHIQJLSR-OCCSQVGLSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnns1 ZINC001668867983 1174853690 /nfs/dbraw/zinc/85/36/90/1174853690.db2.gz GISLZRUOTTZRFQ-NQHOJNORSA-N 2 2 319.434 0.398 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnns1 ZINC001668867983 1174853692 /nfs/dbraw/zinc/85/36/92/1174853692.db2.gz GISLZRUOTTZRFQ-NQHOJNORSA-N 2 2 319.434 0.398 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001669833922 1174954587 /nfs/dbraw/zinc/95/45/87/1174954587.db2.gz ZMLNDNDBJMJAQQ-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001669833922 1174954591 /nfs/dbraw/zinc/95/45/91/1174954591.db2.gz ZMLNDNDBJMJAQQ-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001673682585 1175223545 /nfs/dbraw/zinc/22/35/45/1175223545.db2.gz HCIWWIWCLWRVKK-KRWDZBQOSA-N 2 2 318.421 0.319 20 30 DCEDLP C=C(C)C[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001673752238 1175231414 /nfs/dbraw/zinc/23/14/14/1175231414.db2.gz ZRCVDJFSSRLBIY-UHFFFAOYSA-N 2 2 306.410 0.794 20 30 DCEDLP CC#CC[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001674319425 1175269531 /nfs/dbraw/zinc/26/95/31/1175269531.db2.gz LWBYDIDMPPESRF-UHFFFAOYSA-N 2 2 304.394 0.240 20 30 DCEDLP CC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001692241080 1177456638 /nfs/dbraw/zinc/45/66/38/1177456638.db2.gz DVTOOXUHKPVDIA-CQSZACIVSA-N 2 2 304.394 0.261 20 30 DCEDLP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001692241080 1177456645 /nfs/dbraw/zinc/45/66/45/1177456645.db2.gz DVTOOXUHKPVDIA-CQSZACIVSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699907958 1178365440 /nfs/dbraw/zinc/36/54/40/1178365440.db2.gz SIKLWYQLHSFUCX-GDBMZVCRSA-N 2 2 304.394 0.411 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699907958 1178365449 /nfs/dbraw/zinc/36/54/49/1178365449.db2.gz SIKLWYQLHSFUCX-GDBMZVCRSA-N 2 2 304.394 0.411 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001700090721 1178474435 /nfs/dbraw/zinc/47/44/35/1178474435.db2.gz TYFFTFRAJGBKAF-OAHLLOKOSA-N 2 2 304.394 0.361 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001700703689 1178713454 /nfs/dbraw/zinc/71/34/54/1178713454.db2.gz BDFWYBCUGPQCCL-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700850650 1178777820 /nfs/dbraw/zinc/77/78/20/1178777820.db2.gz HGRICTAKADDYIA-JSGCOSHPSA-N 2 2 304.394 0.489 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001700972367 1178855002 /nfs/dbraw/zinc/85/50/02/1178855002.db2.gz GMUYAMANHGTXKR-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001700972367 1178855018 /nfs/dbraw/zinc/85/50/18/1178855018.db2.gz GMUYAMANHGTXKR-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001700972367 1178855026 /nfs/dbraw/zinc/85/50/26/1178855026.db2.gz GMUYAMANHGTXKR-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001700972367 1178855038 /nfs/dbraw/zinc/85/50/38/1178855038.db2.gz GMUYAMANHGTXKR-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713075128 1180667616 /nfs/dbraw/zinc/66/76/16/1180667616.db2.gz VDNATMBVJMVCDF-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP CC#CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001713075128 1180667621 /nfs/dbraw/zinc/66/76/21/1180667621.db2.gz VDNATMBVJMVCDF-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001713149147 1180696732 /nfs/dbraw/zinc/69/67/32/1180696732.db2.gz AEFAHXPGMOHZFE-DOTOQJQBSA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001713149147 1180696733 /nfs/dbraw/zinc/69/67/33/1180696733.db2.gz AEFAHXPGMOHZFE-DOTOQJQBSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccnc1C ZINC001713316385 1180765188 /nfs/dbraw/zinc/76/51/88/1180765188.db2.gz PRURSDGKQYHELJ-CJNGLKHVSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccnc1C ZINC001713316385 1180765194 /nfs/dbraw/zinc/76/51/94/1180765194.db2.gz PRURSDGKQYHELJ-CJNGLKHVSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)[C@H](C)C(=O)NC ZINC001713547259 1180914754 /nfs/dbraw/zinc/91/47/54/1180914754.db2.gz QCCKAHHURVVKPY-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)[C@H](C)C(=O)NC ZINC001713547259 1180914760 /nfs/dbraw/zinc/91/47/60/1180914760.db2.gz QCCKAHHURVVKPY-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@H](C)C(=O)NC ZINC001713547259 1180914765 /nfs/dbraw/zinc/91/47/65/1180914765.db2.gz QCCKAHHURVVKPY-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)[C@H](C)C(=O)NC ZINC001713547259 1180914771 /nfs/dbraw/zinc/91/47/71/1180914771.db2.gz QCCKAHHURVVKPY-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001713758601 1181051117 /nfs/dbraw/zinc/05/11/17/1181051117.db2.gz SWKLTPUQLBOWRJ-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001713758601 1181051126 /nfs/dbraw/zinc/05/11/26/1181051126.db2.gz SWKLTPUQLBOWRJ-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714923662 1181602252 /nfs/dbraw/zinc/60/22/52/1181602252.db2.gz VRTVPSYLRHTASF-QLFBSQMISA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001714923662 1181602254 /nfs/dbraw/zinc/60/22/54/1181602254.db2.gz VRTVPSYLRHTASF-QLFBSQMISA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001716398700 1182373906 /nfs/dbraw/zinc/37/39/06/1182373906.db2.gz FXCFSJZXUSNVGX-WBMJQRKESA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001716398700 1182373912 /nfs/dbraw/zinc/37/39/12/1182373912.db2.gz FXCFSJZXUSNVGX-WBMJQRKESA-N 2 2 318.421 0.983 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001717613272 1182924984 /nfs/dbraw/zinc/92/49/84/1182924984.db2.gz NLXTWSJSXIGPBD-ZFWWWQNUSA-N 2 2 304.394 0.571 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001717613272 1182924989 /nfs/dbraw/zinc/92/49/89/1182924989.db2.gz NLXTWSJSXIGPBD-ZFWWWQNUSA-N 2 2 304.394 0.571 20 30 DCEDLP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717711290 1182963678 /nfs/dbraw/zinc/96/36/78/1182963678.db2.gz CBRSJCZLEUGRSG-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717711290 1182963681 /nfs/dbraw/zinc/96/36/81/1182963681.db2.gz CBRSJCZLEUGRSG-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001724552295 1184462354 /nfs/dbraw/zinc/46/23/54/1184462354.db2.gz DDUFAIZORDSNCW-QWHCGFSZSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC001724808368 1184565388 /nfs/dbraw/zinc/56/53/88/1184565388.db2.gz CWSBRWIDTMELHT-HNNXBMFYSA-N 2 2 318.421 0.765 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001724869560 1184598403 /nfs/dbraw/zinc/59/84/03/1184598403.db2.gz LANZZNNOFUHKID-CQSZACIVSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)O2 ZINC001724874175 1184601252 /nfs/dbraw/zinc/60/12/52/1184601252.db2.gz JFDWOFYMBPGEJQ-HUUCEWRRSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)O2 ZINC001724874175 1184601256 /nfs/dbraw/zinc/60/12/56/1184601256.db2.gz JFDWOFYMBPGEJQ-HUUCEWRRSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001732177177 1185721984 /nfs/dbraw/zinc/72/19/84/1185721984.db2.gz MQJWLDWODPTIAR-KBPBESRZSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001732177177 1185721988 /nfs/dbraw/zinc/72/19/88/1185721988.db2.gz MQJWLDWODPTIAR-KBPBESRZSA-N 2 2 319.409 0.107 20 30 DCEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732442133 1185820253 /nfs/dbraw/zinc/82/02/53/1185820253.db2.gz YLDXWSBSXXRMSK-UONOGXRCSA-N 2 2 319.409 0.020 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001732591112 1185864425 /nfs/dbraw/zinc/86/44/25/1185864425.db2.gz HSYQDMRKRZVEHU-UHFFFAOYSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001732591112 1185864434 /nfs/dbraw/zinc/86/44/34/1185864434.db2.gz HSYQDMRKRZVEHU-UHFFFAOYSA-N 2 2 310.442 0.021 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733493105 1186301889 /nfs/dbraw/zinc/30/18/89/1186301889.db2.gz ZMGHSQVYEXTSFX-CKEIUWERSA-N 2 2 316.405 0.100 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001733493105 1186301896 /nfs/dbraw/zinc/30/18/96/1186301896.db2.gz ZMGHSQVYEXTSFX-CKEIUWERSA-N 2 2 316.405 0.100 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753235611 1188543919 /nfs/dbraw/zinc/54/39/19/1188543919.db2.gz HHURAOBQHXBGGK-ZIAGYGMSSA-N 2 2 319.409 0.020 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001753427504 1188592627 /nfs/dbraw/zinc/59/26/27/1188592627.db2.gz KBTGDLWFEUTUIF-ILXRZTDVSA-N 2 2 322.453 0.302 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001753427504 1188592629 /nfs/dbraw/zinc/59/26/29/1188592629.db2.gz KBTGDLWFEUTUIF-ILXRZTDVSA-N 2 2 322.453 0.302 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001753427504 1188592634 /nfs/dbraw/zinc/59/26/34/1188592634.db2.gz KBTGDLWFEUTUIF-ILXRZTDVSA-N 2 2 322.453 0.302 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nnc(C)[nH]1 ZINC001753972617 1188700295 /nfs/dbraw/zinc/70/02/95/1188700295.db2.gz YQIFLQONARYGAE-JSGCOSHPSA-N 2 2 318.425 0.195 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nnc(C)[nH]1 ZINC001753972617 1188700298 /nfs/dbraw/zinc/70/02/98/1188700298.db2.gz YQIFLQONARYGAE-JSGCOSHPSA-N 2 2 318.425 0.195 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754137667 1188756088 /nfs/dbraw/zinc/75/60/88/1188756088.db2.gz MDHXCIQVGYYTOA-WAYWQWQTSA-N 2 2 318.421 0.838 20 30 DCEDLP C=CCC[NH2+]CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001754887816 1188963925 /nfs/dbraw/zinc/96/39/25/1188963925.db2.gz VRLHTSAGHDDENB-UHFFFAOYSA-N 2 2 302.378 0.935 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001755123899 1189030705 /nfs/dbraw/zinc/03/07/05/1189030705.db2.gz VQPPISMFYRXOSV-HOCLYGCPSA-N 2 2 318.421 0.439 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001755150487 1189036526 /nfs/dbraw/zinc/03/65/26/1189036526.db2.gz RAUSZAMCTPJFMA-AWEZNQCLSA-N 2 2 318.421 0.575 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001755662749 1189178322 /nfs/dbraw/zinc/17/83/22/1189178322.db2.gz GKNUMDJMOJURRV-ZBFHGGJFSA-N 2 2 318.421 0.582 20 30 DCEDLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001771873416 1190538174 /nfs/dbraw/zinc/53/81/74/1190538174.db2.gz NSOPJUMMHYSJHG-KRIMKBQASA-N 2 2 320.437 0.353 20 30 DCEDLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001771873416 1190538177 /nfs/dbraw/zinc/53/81/77/1190538177.db2.gz NSOPJUMMHYSJHG-KRIMKBQASA-N 2 2 320.437 0.353 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583549 751861614 /nfs/dbraw/zinc/86/16/14/751861614.db2.gz ALOPNGSCBWMFPX-NWANDNLSSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583549 751861625 /nfs/dbraw/zinc/86/16/25/751861625.db2.gz ALOPNGSCBWMFPX-NWANDNLSSA-N 2 2 304.394 0.101 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656213 752217423 /nfs/dbraw/zinc/21/74/23/752217423.db2.gz BKLVZUZKJIAMFW-IACUBPJLSA-N 2 2 302.378 0.014 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656213 752217425 /nfs/dbraw/zinc/21/74/25/752217425.db2.gz BKLVZUZKJIAMFW-IACUBPJLSA-N 2 2 302.378 0.014 20 30 DCEDLP N#Cc1nc(Br)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879734 748459894 /nfs/dbraw/zinc/45/98/94/748459894.db2.gz ZHSUBQNZBYOGPF-UHFFFAOYSA-N 2 2 312.175 0.786 20 30 DCEDLP C=C(Br)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126432415 748746689 /nfs/dbraw/zinc/74/66/89/748746689.db2.gz RQKBNZYJFKBXAY-UHFFFAOYSA-N 2 2 301.188 0.957 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168500394 751268299 /nfs/dbraw/zinc/26/82/99/751268299.db2.gz XYAOMAZHBVUPAE-UHFFFAOYSA-N 2 2 304.394 0.409 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046924952 751317266 /nfs/dbraw/zinc/31/72/66/751317266.db2.gz GUIBGSPOSYSQJZ-OLZOCXBDSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046924952 751317269 /nfs/dbraw/zinc/31/72/69/751317269.db2.gz GUIBGSPOSYSQJZ-OLZOCXBDSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924952 751317273 /nfs/dbraw/zinc/31/72/73/751317273.db2.gz GUIBGSPOSYSQJZ-OLZOCXBDSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046924952 751317282 /nfs/dbraw/zinc/31/72/82/751317282.db2.gz GUIBGSPOSYSQJZ-OLZOCXBDSA-N 2 2 315.364 0.024 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077697896 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VQGMBPPPEWHXRM-WMZOPIPTSA-N 2 2 319.449 0.867 20 30 DCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024721 752948282 /nfs/dbraw/zinc/94/82/82/752948282.db2.gz OJRCHJLNVKUDTR-IIAWOOMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024721 752948287 /nfs/dbraw/zinc/94/82/87/752948287.db2.gz OJRCHJLNVKUDTR-IIAWOOMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024721 752948292 /nfs/dbraw/zinc/94/82/92/752948292.db2.gz OJRCHJLNVKUDTR-IIAWOOMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024721 752948303 /nfs/dbraw/zinc/94/83/03/752948303.db2.gz OJRCHJLNVKUDTR-IIAWOOMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088171 753475012 /nfs/dbraw/zinc/47/50/12/753475012.db2.gz GXNCOQZEWCISSH-INIZCTEOSA-N 2 2 317.437 0.678 20 30 DCEDLP 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C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)CO2 ZINC001053859106 756244772 /nfs/dbraw/zinc/24/47/72/756244772.db2.gz ZUUWVQVNLZOYSP-OAHLLOKOSA-N 2 2 324.384 0.931 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H]1C ZINC001082663951 757217725 /nfs/dbraw/zinc/21/77/25/757217725.db2.gz ODOHKTFLGOOKSK-DJIMGWMZSA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H]1C ZINC001082663951 757217735 /nfs/dbraw/zinc/21/77/35/757217735.db2.gz ODOHKTFLGOOKSK-DJIMGWMZSA-N 2 2 319.449 0.557 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090378271 757238515 /nfs/dbraw/zinc/23/85/15/757238515.db2.gz NQFKIYPZMXOHDP-UKRRQHHQSA-N 2 2 322.409 0.477 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090378271 757238521 /nfs/dbraw/zinc/23/85/21/757238521.db2.gz NQFKIYPZMXOHDP-UKRRQHHQSA-N 2 2 322.409 0.477 20 30 DCEDLP 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C=CCN1CC[NH+]([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109144 759185543 /nfs/dbraw/zinc/18/55/43/759185543.db2.gz XERMGOIYBVUFGO-INIZCTEOSA-N 2 2 318.465 0.487 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001098642566 762702929 /nfs/dbraw/zinc/70/29/29/762702929.db2.gz GXEBOTULZABQIW-AWEZNQCLSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817227 759350511 /nfs/dbraw/zinc/35/05/11/759350511.db2.gz SORORFUNMAJMCR-LSDHHAIUSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817227 759350526 /nfs/dbraw/zinc/35/05/26/759350526.db2.gz SORORFUNMAJMCR-LSDHHAIUSA-N 2 2 300.406 0.920 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343575 760416431 /nfs/dbraw/zinc/41/64/31/760416431.db2.gz VDOAUEVPWQFDJG-RDJZCZTQSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343575 760416432 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C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CCC[NH+]3C)c2C1 ZINC001069854911 760901225 /nfs/dbraw/zinc/90/12/25/760901225.db2.gz DNMJHMNPMRQQAZ-OAHLLOKOSA-N 2 2 317.437 0.985 20 30 DCEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CCC[NH+]3C)c2C1 ZINC001069854911 760901230 /nfs/dbraw/zinc/90/12/30/760901230.db2.gz DNMJHMNPMRQQAZ-OAHLLOKOSA-N 2 2 317.437 0.985 20 30 DCEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1n1ccnn1 ZINC001070303262 761166017 /nfs/dbraw/zinc/16/60/17/761166017.db2.gz SVCOSKUEQBIPMA-OLZOCXBDSA-N 2 2 315.381 0.162 20 30 DCEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226190 761722497 /nfs/dbraw/zinc/72/24/97/761722497.db2.gz VUHADEDFDJFEPG-YOEHRIQHSA-N 2 2 318.421 0.840 20 30 DCEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@H](C)O2 ZINC001071226190 761722501 /nfs/dbraw/zinc/72/25/01/761722501.db2.gz VUHADEDFDJFEPG-YOEHRIQHSA-N 2 2 318.421 0.840 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132858 763337354 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DCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376980 764427694 /nfs/dbraw/zinc/42/76/94/764427694.db2.gz SCYVGOBGMCEUIK-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376980 764427697 /nfs/dbraw/zinc/42/76/97/764427697.db2.gz SCYVGOBGMCEUIK-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532402 764509748 /nfs/dbraw/zinc/50/97/48/764509748.db2.gz CPDMOAFAUAQZJF-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532402 764509755 /nfs/dbraw/zinc/50/97/55/764509755.db2.gz CPDMOAFAUAQZJF-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090517932 765450959 /nfs/dbraw/zinc/45/09/59/765450959.db2.gz ACRVKHQUZRENCD-LSDHHAIUSA-N 2 2 319.405 0.530 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090517932 765450970 /nfs/dbraw/zinc/45/09/70/765450970.db2.gz ACRVKHQUZRENCD-LSDHHAIUSA-N 2 2 319.405 0.530 20 30 DCEDLP N#Cc1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cc1F ZINC001134407002 765507904 /nfs/dbraw/zinc/50/79/04/765507904.db2.gz LWLDCLTUZWOPPM-UHFFFAOYSA-N 2 2 301.325 0.869 20 30 DCEDLP COCC#CC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001147455233 767758846 /nfs/dbraw/zinc/75/88/46/767758846.db2.gz FGLXVZFWMRBWBM-UHFFFAOYSA-N 2 2 316.405 0.526 20 30 DCEDLP COCC#CC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001147455233 767758853 /nfs/dbraw/zinc/75/88/53/767758853.db2.gz FGLXVZFWMRBWBM-UHFFFAOYSA-N 2 2 316.405 0.526 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152619021 769611497 /nfs/dbraw/zinc/61/14/97/769611497.db2.gz UVWQJGDAEXKZNU-HNNXBMFYSA-N 2 2 304.394 0.040 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)CCCn2cc[nH+]c2)C1=O ZINC001153344398 769792886 /nfs/dbraw/zinc/79/28/86/769792886.db2.gz BTQQILYSCQAGBM-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180287722 771096136 /nfs/dbraw/zinc/09/61/36/771096136.db2.gz GZTFMUHMCYQJTR-RDBSUJKOSA-N 2 2 319.409 0.153 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182741887 771547244 /nfs/dbraw/zinc/54/72/44/771547244.db2.gz XFRFMBAJKFDFCY-RHSMWYFYSA-N 2 2 318.421 0.676 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001160209151 772009757 /nfs/dbraw/zinc/00/97/57/772009757.db2.gz AMGMAPWKFKMJGY-OCCSQVGLSA-N 2 2 319.409 0.633 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001160209151 772009762 /nfs/dbraw/zinc/00/97/62/772009762.db2.gz AMGMAPWKFKMJGY-OCCSQVGLSA-N 2 2 319.409 0.633 20 30 DCEDLP N#CCC[NH2+]CC(=O)N(C1CCOCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161322074 772204042 /nfs/dbraw/zinc/20/40/42/772204042.db2.gz WPXWPCPAMHFMFD-HDJSIYSDSA-N 2 2 308.426 0.767 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546930 773232373 /nfs/dbraw/zinc/23/23/73/773232373.db2.gz FZTSEBHJZDFMBW-BZUAXINKSA-N 2 2 317.437 0.273 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207546930 773232379 /nfs/dbraw/zinc/23/23/79/773232379.db2.gz FZTSEBHJZDFMBW-BZUAXINKSA-N 2 2 317.437 0.273 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213203737 773816539 /nfs/dbraw/zinc/81/65/39/773816539.db2.gz YORILJKMNSVRPS-ZIAGYGMSSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213203737 773816544 /nfs/dbraw/zinc/81/65/44/773816544.db2.gz YORILJKMNSVRPS-ZIAGYGMSSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215003464 774033013 /nfs/dbraw/zinc/03/30/13/774033013.db2.gz FEAZDEKKFFFCIL-QLFBSQMISA-N 2 2 300.406 0.905 20 30 DCEDLP N#CCc1nn(-c2ccccc2)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1C#N ZINC001218750147 774296983 /nfs/dbraw/zinc/29/69/83/774296983.db2.gz CFJGPDFMCHSLFX-ZDUSSCGKSA-N 2 2 323.360 0.425 20 30 DCEDLP COc1cc(C#N)c(F)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219107435 774373672 /nfs/dbraw/zinc/37/36/72/774373672.db2.gz GUWSXJUTOHRMLQ-UHFFFAOYSA-N 2 2 306.341 0.986 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC001200831142 774413901 /nfs/dbraw/zinc/41/39/01/774413901.db2.gz KDTKUZNNBRLLDX-HOCLYGCPSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC001200840911 774415550 /nfs/dbraw/zinc/41/55/50/774415550.db2.gz KTMMQMCBUDASAZ-HOCLYGCPSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208202 774616017 /nfs/dbraw/zinc/61/60/17/774616017.db2.gz KPYFOQTWVDPEEL-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908592 774643321 /nfs/dbraw/zinc/64/33/21/774643321.db2.gz LQWUQFYYEYRLSR-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908592 774643325 /nfs/dbraw/zinc/64/33/25/774643325.db2.gz LQWUQFYYEYRLSR-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053433 774683099 /nfs/dbraw/zinc/68/30/99/774683099.db2.gz MAXYGFODWWVOID-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053433 774683101 /nfs/dbraw/zinc/68/31/01/774683101.db2.gz MAXYGFODWWVOID-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)C1 ZINC001220284027 774756619 /nfs/dbraw/zinc/75/66/19/774756619.db2.gz CDFDAVPUVFVQNV-XCBNKYQSSA-N 2 2 319.748 0.321 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550439 774842909 /nfs/dbraw/zinc/84/29/09/774842909.db2.gz RXUROHCVWNLLLL-CABCVRRESA-N 2 2 304.394 0.156 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550439 774842919 /nfs/dbraw/zinc/84/29/19/774842919.db2.gz RXUROHCVWNLLLL-CABCVRRESA-N 2 2 304.394 0.156 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161239 775012605 /nfs/dbraw/zinc/01/26/05/775012605.db2.gz BZPKTHCWIGIDCB-CABCVRRESA-N 2 2 322.409 0.027 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161239 775012613 /nfs/dbraw/zinc/01/26/13/775012613.db2.gz BZPKTHCWIGIDCB-CABCVRRESA-N 2 2 322.409 0.027 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001111274555 775701253 /nfs/dbraw/zinc/70/12/53/775701253.db2.gz HRMRNHIIKIPBRP-BMFZPTHFSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278105973 945140274 /nfs/dbraw/zinc/14/02/74/945140274.db2.gz QSHSGUZISAFTAN-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001278282982 945207715 /nfs/dbraw/zinc/20/77/15/945207715.db2.gz RIMZBHCLYGIQMA-OAHLLOKOSA-N 2 2 318.421 0.867 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267188586 939378415 /nfs/dbraw/zinc/37/84/15/939378415.db2.gz KWPGLJIRAQOYCJ-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001267188586 939378418 /nfs/dbraw/zinc/37/84/18/939378418.db2.gz KWPGLJIRAQOYCJ-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267188586 939378420 /nfs/dbraw/zinc/37/84/20/939378420.db2.gz KWPGLJIRAQOYCJ-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001267188586 939378424 /nfs/dbraw/zinc/37/84/24/939378424.db2.gz KWPGLJIRAQOYCJ-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267582966 939528446 /nfs/dbraw/zinc/52/84/46/939528446.db2.gz IKZCSFNPGRDGLX-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267582966 939528448 /nfs/dbraw/zinc/52/84/48/939528448.db2.gz IKZCSFNPGRDGLX-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267592231 939534712 /nfs/dbraw/zinc/53/47/12/939534712.db2.gz QCPUVCMYDAWVCB-ZDUSSCGKSA-N 2 2 319.409 0.035 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267592231 939534714 /nfs/dbraw/zinc/53/47/14/939534714.db2.gz QCPUVCMYDAWVCB-ZDUSSCGKSA-N 2 2 319.409 0.035 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267709356 939633768 /nfs/dbraw/zinc/63/37/68/939633768.db2.gz WCDZCKQTTVTMKK-HNNXBMFYSA-N 2 2 304.394 0.313 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267709356 939633770 /nfs/dbraw/zinc/63/37/70/939633770.db2.gz WCDZCKQTTVTMKK-HNNXBMFYSA-N 2 2 304.394 0.313 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481534893 939924363 /nfs/dbraw/zinc/92/43/63/939924363.db2.gz 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0.935 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[N@H+](C)C3)n2C)CC1 ZINC001340006755 953136964 /nfs/dbraw/zinc/13/69/64/953136964.db2.gz CAOXLOQHRJTWIT-AWEZNQCLSA-N 2 2 302.426 0.380 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+](C)C3)n2C)CC1 ZINC001340006755 953136966 /nfs/dbraw/zinc/13/69/66/953136966.db2.gz CAOXLOQHRJTWIT-AWEZNQCLSA-N 2 2 302.426 0.380 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001282911601 953754063 /nfs/dbraw/zinc/75/40/63/953754063.db2.gz MKHSYNSUPPZHNU-WFASDCNBSA-N 2 2 320.393 0.189 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001284630635 955206825 /nfs/dbraw/zinc/20/68/25/955206825.db2.gz KNBYMVXAUJELOE-ZDUSSCGKSA-N 2 2 321.425 0.375 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCOC ZINC001284658059 955218649 /nfs/dbraw/zinc/21/86/49/955218649.db2.gz PXMUEZUXNBUZGU-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCOC ZINC001284658059 955218658 /nfs/dbraw/zinc/21/86/58/955218658.db2.gz PXMUEZUXNBUZGU-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCCCn1cc[nH+]c1)C2 ZINC001353062571 955904642 /nfs/dbraw/zinc/90/46/42/955904642.db2.gz FQBWSRNUDFNTMJ-NPCAHTBFSA-N 2 2 301.394 0.919 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001491822492 959269003 /nfs/dbraw/zinc/26/90/03/959269003.db2.gz XOHSIULTAIBFRP-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001380564096 963366172 /nfs/dbraw/zinc/36/61/72/963366172.db2.gz BLBDLKRYGPHWCP-CQSZACIVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001380564096 963366176 /nfs/dbraw/zinc/36/61/76/963366176.db2.gz BLBDLKRYGPHWCP-CQSZACIVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001380564096 963366179 /nfs/dbraw/zinc/36/61/79/963366179.db2.gz BLBDLKRYGPHWCP-CQSZACIVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001380564096 963366186 /nfs/dbraw/zinc/36/61/86/963366186.db2.gz BLBDLKRYGPHWCP-CQSZACIVSA-N 2 2 303.834 0.632 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001507649715 1016506415 /nfs/dbraw/zinc/50/64/15/1016506415.db2.gz TVVKDWOVRVGKSK-HNNXBMFYSA-N 2 2 319.405 0.407 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001507649715 1016506428 /nfs/dbraw/zinc/50/64/28/1016506428.db2.gz TVVKDWOVRVGKSK-HNNXBMFYSA-N 2 2 319.405 0.407 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001506657399 1017444923 /nfs/dbraw/zinc/44/49/23/1017444923.db2.gz FNJOTJXGRLDGDF-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001479262562 1017457188 /nfs/dbraw/zinc/45/71/88/1017457188.db2.gz BSOQCKPKKVXDGG-GOEBONIOSA-N 2 2 324.469 0.408 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001479262562 1017457197 /nfs/dbraw/zinc/45/71/97/1017457197.db2.gz BSOQCKPKKVXDGG-GOEBONIOSA-N 2 2 324.469 0.408 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC001479546505 1017580513 /nfs/dbraw/zinc/58/05/13/1017580513.db2.gz AMTLBPGAJBATFX-HUUCEWRRSA-N 2 2 304.394 0.360 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001506975278 1017727505 /nfs/dbraw/zinc/72/75/05/1017727505.db2.gz JWVIXSVYSWNJML-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001506975278 1017727512 /nfs/dbraw/zinc/72/75/12/1017727512.db2.gz JWVIXSVYSWNJML-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC#CCOC ZINC001495012586 1018236645 /nfs/dbraw/zinc/23/66/45/1018236645.db2.gz NMLBZCWRVTWOSE-HUUCEWRRSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001497663673 1018320615 /nfs/dbraw/zinc/32/06/15/1018320615.db2.gz YUAMAOWQDFNFAY-SQRWCISFSA-N 2 2 305.422 0.525 20 30 DCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001497663673 1018320628 /nfs/dbraw/zinc/32/06/28/1018320628.db2.gz YUAMAOWQDFNFAY-SQRWCISFSA-N 2 2 305.422 0.525 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nncs1 ZINC001480771911 1018890157 /nfs/dbraw/zinc/89/01/57/1018890157.db2.gz ZGALINNYMGQDQE-STQMWFEESA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nncs1 ZINC001480771911 1018890192 /nfs/dbraw/zinc/89/01/92/1018890192.db2.gz ZGALINNYMGQDQE-STQMWFEESA-N 2 2 321.450 0.620 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001498781258 1019422292 /nfs/dbraw/zinc/42/22/92/1019422292.db2.gz ABJCFRAUQGUMOM-HOCLYGCPSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCC(C)C ZINC001498997007 1019628725 /nfs/dbraw/zinc/62/87/25/1019628725.db2.gz DBQLAOQKOATUBR-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCC(C)C ZINC001498997007 1019628735 /nfs/dbraw/zinc/62/87/35/1019628735.db2.gz DBQLAOQKOATUBR-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCC(C)C ZINC001498997007 1019628747 /nfs/dbraw/zinc/62/87/47/1019628747.db2.gz DBQLAOQKOATUBR-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCC(C)C ZINC001498997007 1019628756 /nfs/dbraw/zinc/62/87/56/1019628756.db2.gz DBQLAOQKOATUBR-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000162563504 530055880 /nfs/dbraw/zinc/05/58/80/530055880.db2.gz NJEJBRBMYCDAOK-CQSZACIVSA-N 2 2 310.467 0.872 20 30 DCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000162563504 530055881 /nfs/dbraw/zinc/05/58/81/530055881.db2.gz NJEJBRBMYCDAOK-CQSZACIVSA-N 2 2 310.467 0.872 20 30 DCEDLP COc1ccc(N2CC[NH+](CCNC3=[NH+]C[C@@H](C)N3)CC2)cc1 ZINC000285192380 238407388 /nfs/dbraw/zinc/40/73/88/238407388.db2.gz VMQGHMCHYWZNRX-CQSZACIVSA-N 2 2 317.437 0.755 20 30 DCEDLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131802 396531976 /nfs/dbraw/zinc/53/19/76/396531976.db2.gz ITBYKLLFPSQRGY-CVEARBPZSA-N 2 2 316.405 0.861 20 30 DCEDLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131802 396531977 /nfs/dbraw/zinc/53/19/77/396531977.db2.gz ITBYKLLFPSQRGY-CVEARBPZSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131802 396531979 /nfs/dbraw/zinc/53/19/79/396531979.db2.gz ITBYKLLFPSQRGY-CVEARBPZSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131802 396531980 /nfs/dbraw/zinc/53/19/80/396531980.db2.gz ITBYKLLFPSQRGY-CVEARBPZSA-N 2 2 316.405 0.861 20 30 DCEDLP CC(C)[N@H+](C)C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000595335154 396590902 /nfs/dbraw/zinc/59/09/02/396590902.db2.gz VRPCLDGPHMBOOQ-MRXNPFEDSA-N 2 2 312.458 0.235 20 30 DCEDLP CC(C)[N@@H+](C)C[C@@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000595335154 396590906 /nfs/dbraw/zinc/59/09/06/396590906.db2.gz VRPCLDGPHMBOOQ-MRXNPFEDSA-N 2 2 312.458 0.235 20 30 DCEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000597255966 396923431 /nfs/dbraw/zinc/92/34/31/396923431.db2.gz QPYFWPJFWRPBNV-UHFFFAOYSA-N 2 2 322.376 0.657 20 30 DCEDLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223553 397148177 /nfs/dbraw/zinc/14/81/77/397148177.db2.gz HOAWBFCOOGOVPE-SWLSCSKDSA-N 2 2 301.394 0.904 20 30 DCEDLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223553 397148181 /nfs/dbraw/zinc/14/81/81/397148181.db2.gz HOAWBFCOOGOVPE-SWLSCSKDSA-N 2 2 301.394 0.904 20 30 DCEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cn2)CC1 ZINC000592523385 397201117 /nfs/dbraw/zinc/20/11/17/397201117.db2.gz ZKPXGBVIWQJMEE-INIZCTEOSA-N 2 2 316.409 0.079 20 30 DCEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@](O)(CC#N)C3)cn2)CC1 ZINC000592523385 397201121 /nfs/dbraw/zinc/20/11/21/397201121.db2.gz ZKPXGBVIWQJMEE-INIZCTEOSA-N 2 2 316.409 0.079 20 30 DCEDLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588521 397252529 /nfs/dbraw/zinc/25/25/29/397252529.db2.gz BKQPYXZNPCECLX-HNNXBMFYSA-N 2 2 324.469 0.773 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)[C@H](C[NH3+])C1 ZINC000574384870 397261406 /nfs/dbraw/zinc/26/14/06/397261406.db2.gz AQGPBIQXZWIJMK-CYBMUJFWSA-N 2 2 305.357 0.482 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)[C@H](C[NH3+])C1 ZINC000574384870 397261411 /nfs/dbraw/zinc/26/14/11/397261411.db2.gz AQGPBIQXZWIJMK-CYBMUJFWSA-N 2 2 305.357 0.482 20 30 DCEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602539305 397433725 /nfs/dbraw/zinc/43/37/25/397433725.db2.gz JBGAQEOUJXUAEU-UHFFFAOYSA-N 2 2 315.421 0.986 20 30 DCEDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H](C[NH3+])C1 ZINC000493147911 397525657 /nfs/dbraw/zinc/52/56/57/397525657.db2.gz FKFDVFRPSZORQG-SZTZYQKNSA-N 2 2 314.389 0.703 20 30 DCEDLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)[C@@H](C[NH3+])C1 ZINC000493147911 397525663 /nfs/dbraw/zinc/52/56/63/397525663.db2.gz FKFDVFRPSZORQG-SZTZYQKNSA-N 2 2 314.389 0.703 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccn(C)n1 ZINC000329046484 416146718 /nfs/dbraw/zinc/14/67/18/416146718.db2.gz PYZOGXGBANZQKO-UHFFFAOYSA-N 2 2 322.457 0.792 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccn(C)n1 ZINC000329046484 416146722 /nfs/dbraw/zinc/14/67/22/416146722.db2.gz PYZOGXGBANZQKO-UHFFFAOYSA-N 2 2 322.457 0.792 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000329195173 416154887 /nfs/dbraw/zinc/15/48/87/416154887.db2.gz VCMSQEAACSOAEL-OAHLLOKOSA-N 2 2 320.441 0.546 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000329195173 416154890 /nfs/dbraw/zinc/15/48/90/416154890.db2.gz VCMSQEAACSOAEL-OAHLLOKOSA-N 2 2 320.441 0.546 20 30 DCEDLP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCSC1 ZINC000330088280 416196827 /nfs/dbraw/zinc/19/68/27/416196827.db2.gz UNYRNCGAUWEAEG-TZMCWYRMSA-N 2 2 316.471 0.258 20 30 DCEDLP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCSC1 ZINC000330088280 416196831 /nfs/dbraw/zinc/19/68/31/416196831.db2.gz UNYRNCGAUWEAEG-TZMCWYRMSA-N 2 2 316.471 0.258 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000491516485 416603639 /nfs/dbraw/zinc/60/36/39/416603639.db2.gz UMCBPVGLEANIKW-DZGCQCFKSA-N 2 2 311.376 0.741 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000491516485 416603640 /nfs/dbraw/zinc/60/36/40/416603640.db2.gz UMCBPVGLEANIKW-DZGCQCFKSA-N 2 2 311.376 0.741 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCc3ccccc3CC2)CC1 ZINC000490740209 416572481 /nfs/dbraw/zinc/57/24/81/416572481.db2.gz JKUYZRHFYVJIES-UHFFFAOYSA-N 2 2 311.429 0.865 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000490893596 416580112 /nfs/dbraw/zinc/58/01/12/416580112.db2.gz VSODVBLKMQAWNK-KRWDZBQOSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000490893596 416580114 /nfs/dbraw/zinc/58/01/14/416580114.db2.gz VSODVBLKMQAWNK-KRWDZBQOSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000491742505 416621423 /nfs/dbraw/zinc/62/14/23/416621423.db2.gz QKHIPLUIKKKPRZ-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2COCC)CC1 ZINC000491757706 416622951 /nfs/dbraw/zinc/62/29/51/416622951.db2.gz FKBOTOKPDJFUGF-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2COCC)CC1 ZINC000491757706 416622955 /nfs/dbraw/zinc/62/29/55/416622955.db2.gz FKBOTOKPDJFUGF-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000491802324 416630271 /nfs/dbraw/zinc/63/02/71/416630271.db2.gz GCODBYOEJWMBNC-JKSUJKDBSA-N 2 2 321.465 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000491802324 416630274 /nfs/dbraw/zinc/63/02/74/416630274.db2.gz GCODBYOEJWMBNC-JKSUJKDBSA-N 2 2 321.465 0.493 20 30 DCEDLP C=CCCn1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC000657349158 417850447 /nfs/dbraw/zinc/85/04/47/417850447.db2.gz COLUHNADTGRXML-CQSZACIVSA-N 2 2 320.441 0.531 20 30 DCEDLP C=CCCn1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC000657349158 417850456 /nfs/dbraw/zinc/85/04/56/417850456.db2.gz COLUHNADTGRXML-CQSZACIVSA-N 2 2 320.441 0.531 20 30 DCEDLP C=CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653075060 418020588 /nfs/dbraw/zinc/02/05/88/418020588.db2.gz CSWKNKCQYVJRMR-AWEZNQCLSA-N 2 2 304.394 0.820 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000104178674 292765272 /nfs/dbraw/zinc/76/52/72/292765272.db2.gz OOEVZSZUYFDHNN-OCCSQVGLSA-N 2 2 316.471 0.134 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000491298904 333019304 /nfs/dbraw/zinc/01/93/04/333019304.db2.gz XLUOEWFJMKDRRB-HNNXBMFYSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000491298904 333019306 /nfs/dbraw/zinc/01/93/06/333019306.db2.gz XLUOEWFJMKDRRB-HNNXBMFYSA-N 2 2 305.422 0.143 20 30 DCEDLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330175128 336120819 /nfs/dbraw/zinc/12/08/19/336120819.db2.gz IUXZRDVQGGIIPH-ZIAGYGMSSA-N 2 2 321.425 0.802 20 30 DCEDLP C[C@](O)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000330217023 336125318 /nfs/dbraw/zinc/12/53/18/336125318.db2.gz IDXHOKKZERVFBO-HOCLYGCPSA-N 2 2 311.426 0.653 20 30 DCEDLP C[C@](O)(CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000330217023 336125319 /nfs/dbraw/zinc/12/53/19/336125319.db2.gz IDXHOKKZERVFBO-HOCLYGCPSA-N 2 2 311.426 0.653 20 30 DCEDLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330220185 336125752 /nfs/dbraw/zinc/12/57/52/336125752.db2.gz PZWRREQROTUNJE-HZSPNIEDSA-N 2 2 321.425 0.499 20 30 DCEDLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330220185 336125754 /nfs/dbraw/zinc/12/57/54/336125754.db2.gz PZWRREQROTUNJE-HZSPNIEDSA-N 2 2 321.425 0.499 20 30 DCEDLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330220185 336125755 /nfs/dbraw/zinc/12/57/55/336125755.db2.gz PZWRREQROTUNJE-HZSPNIEDSA-N 2 2 321.425 0.499 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262194802 526355784 /nfs/dbraw/zinc/35/57/84/526355784.db2.gz ZVXGWBQMBYWHCQ-UHFFFAOYSA-N 2 2 319.409 0.319 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000179199107 526358544 /nfs/dbraw/zinc/35/85/44/526358544.db2.gz PVKGRMVQSMMWQU-QGZVFWFLSA-N 2 2 324.469 0.785 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000179199107 526358548 /nfs/dbraw/zinc/35/85/48/526358548.db2.gz PVKGRMVQSMMWQU-QGZVFWFLSA-N 2 2 324.469 0.785 20 30 DCEDLP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCn2cc[nH+]c2)CC1 ZINC000264128590 526407334 /nfs/dbraw/zinc/40/73/34/526407334.db2.gz SREJSXZZHFCJNY-UHFFFAOYSA-N 2 2 322.413 0.751 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCn2cc[nH+]c2)CC1 ZINC000283983881 526579292 /nfs/dbraw/zinc/57/92/92/526579292.db2.gz OHWXTYMBWLSVLY-UHFFFAOYSA-N 2 2 319.409 0.156 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647965 528855827 /nfs/dbraw/zinc/85/58/27/528855827.db2.gz NEALHZHLCKZPOC-WMLDXEAASA-N 2 2 324.469 0.818 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647965 528855834 /nfs/dbraw/zinc/85/58/34/528855834.db2.gz NEALHZHLCKZPOC-WMLDXEAASA-N 2 2 324.469 0.818 20 30 DCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCS(=O)(=O)C1 ZINC000262325095 529074554 /nfs/dbraw/zinc/07/45/54/529074554.db2.gz STMXXKPZILRICC-CHWSQXEVSA-N 2 2 316.471 0.200 20 30 DCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCS(=O)(=O)C1 ZINC000262325095 529074558 /nfs/dbraw/zinc/07/45/58/529074558.db2.gz STMXXKPZILRICC-CHWSQXEVSA-N 2 2 316.471 0.200 20 30 DCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267475318 529074604 /nfs/dbraw/zinc/07/46/04/529074604.db2.gz ZFMCDZLVSIJKIM-GFCCVEGCSA-N 3 2 307.446 0.375 20 30 DCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267475318 529074611 /nfs/dbraw/zinc/07/46/11/529074611.db2.gz ZFMCDZLVSIJKIM-GFCCVEGCSA-N 3 2 307.446 0.375 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978356352 660526670 /nfs/dbraw/zinc/52/66/70/660526670.db2.gz DMCKLKBQBSYIQF-TUVASFSCSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978356352 660526674 /nfs/dbraw/zinc/52/66/74/660526674.db2.gz DMCKLKBQBSYIQF-TUVASFSCSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978413630 660535538 /nfs/dbraw/zinc/53/55/38/660535538.db2.gz UGZZJICGPMQOTG-ZQDZILKHSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978413630 660535552 /nfs/dbraw/zinc/53/55/52/660535552.db2.gz UGZZJICGPMQOTG-ZQDZILKHSA-N 2 2 300.406 0.926 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980224451 660894426 /nfs/dbraw/zinc/89/44/26/660894426.db2.gz ZHUVHOLXNIOVSG-RRFJBIMHSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980224451 660894428 /nfs/dbraw/zinc/89/44/28/660894428.db2.gz ZHUVHOLXNIOVSG-RRFJBIMHSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001023447345 657874574 /nfs/dbraw/zinc/87/45/74/657874574.db2.gz LMSLBWAANCUEGI-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638895 658140071 /nfs/dbraw/zinc/14/00/71/658140071.db2.gz OPSZIUYEHOQIKQ-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638895 658140075 /nfs/dbraw/zinc/14/00/75/658140075.db2.gz OPSZIUYEHOQIKQ-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638895 658140080 /nfs/dbraw/zinc/14/00/80/658140080.db2.gz OPSZIUYEHOQIKQ-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638895 658140086 /nfs/dbraw/zinc/14/00/86/658140086.db2.gz OPSZIUYEHOQIKQ-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506066 658671745 /nfs/dbraw/zinc/67/17/45/658671745.db2.gz IRZPUDOVRNAHHB-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506066 658671750 /nfs/dbraw/zinc/67/17/50/658671750.db2.gz IRZPUDOVRNAHHB-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506066 658671754 /nfs/dbraw/zinc/67/17/54/658671754.db2.gz IRZPUDOVRNAHHB-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506066 658671757 /nfs/dbraw/zinc/67/17/57/658671757.db2.gz IRZPUDOVRNAHHB-OWCLPIDISA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419623 658744328 /nfs/dbraw/zinc/74/43/28/658744328.db2.gz GZJZCQSWKVQPJK-FUHWJXTLSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419623 658744331 /nfs/dbraw/zinc/74/43/31/658744331.db2.gz GZJZCQSWKVQPJK-FUHWJXTLSA-N 2 2 321.465 0.899 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972440039 658771424 /nfs/dbraw/zinc/77/14/24/658771424.db2.gz YQEKWOQDODZFMM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972440039 658771430 /nfs/dbraw/zinc/77/14/30/658771430.db2.gz YQEKWOQDODZFMM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972440039 658771436 /nfs/dbraw/zinc/77/14/36/658771436.db2.gz YQEKWOQDODZFMM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972440039 658771442 /nfs/dbraw/zinc/77/14/42/658771442.db2.gz YQEKWOQDODZFMM-NVXWUHKLSA-N 2 2 307.438 0.960 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969340 659743502 /nfs/dbraw/zinc/74/35/02/659743502.db2.gz IWGZOQSXWOPHFD-JKSUJKDBSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969340 659743504 /nfs/dbraw/zinc/74/35/04/659743504.db2.gz IWGZOQSXWOPHFD-JKSUJKDBSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969340 659743507 /nfs/dbraw/zinc/74/35/07/659743507.db2.gz IWGZOQSXWOPHFD-JKSUJKDBSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969340 659743512 /nfs/dbraw/zinc/74/35/12/659743512.db2.gz IWGZOQSXWOPHFD-JKSUJKDBSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CCC[NH+]1CCN([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000127359487 662511543 /nfs/dbraw/zinc/51/15/43/662511543.db2.gz OVCIZXNGMYIMQB-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCC[C@H]3O)cn2)CC1 ZINC000901333669 663338982 /nfs/dbraw/zinc/33/89/82/663338982.db2.gz KBZDUHRFALXRLH-ZIAGYGMSSA-N 2 2 304.398 0.065 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000908116381 663734374 /nfs/dbraw/zinc/73/43/74/663734374.db2.gz ZQVKKMVLIGXHLK-CQSZACIVSA-N 2 2 320.437 0.665 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)OC)C1 ZINC001030031477 664368129 /nfs/dbraw/zinc/36/81/29/664368129.db2.gz OOEKKUKKMJVNOH-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC001030031477 664368131 /nfs/dbraw/zinc/36/81/31/664368131.db2.gz OOEKKUKKMJVNOH-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)OC)C1 ZINC001030031477 664368133 /nfs/dbraw/zinc/36/81/33/664368133.db2.gz OOEKKUKKMJVNOH-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)OC)C1 ZINC001030031477 664368135 /nfs/dbraw/zinc/36/81/35/664368135.db2.gz OOEKKUKKMJVNOH-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000914084797 664747992 /nfs/dbraw/zinc/74/79/92/664747992.db2.gz QFFCECHIMVCHMW-OAHLLOKOSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000916618719 665075132 /nfs/dbraw/zinc/07/51/32/665075132.db2.gz CTQHSLNTPMHDTN-UHFFFAOYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000916618719 665075134 /nfs/dbraw/zinc/07/51/34/665075134.db2.gz CTQHSLNTPMHDTN-UHFFFAOYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CCC[NH+]1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000941487522 666006935 /nfs/dbraw/zinc/00/69/35/666006935.db2.gz MFSSNMXMRHXRTJ-UHFFFAOYSA-N 2 2 315.421 0.043 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035733622 667405460 /nfs/dbraw/zinc/40/54/60/667405460.db2.gz WKPRATBNNCLJGK-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035733622 667405462 /nfs/dbraw/zinc/40/54/62/667405462.db2.gz WKPRATBNNCLJGK-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000884225932 667503904 /nfs/dbraw/zinc/50/39/04/667503904.db2.gz HAFCFUGMQVYSLV-IHRRRGAJSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000884225932 667503905 /nfs/dbraw/zinc/50/39/05/667503905.db2.gz HAFCFUGMQVYSLV-IHRRRGAJSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000884335763 667526634 /nfs/dbraw/zinc/52/66/34/667526634.db2.gz BFDALSUTOLGQAH-IHRRRGAJSA-N 2 2 309.410 0.424 20 30 DCEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000923411238 667529348 /nfs/dbraw/zinc/52/93/48/667529348.db2.gz AWCCMHODAIZZLA-INIZCTEOSA-N 2 2 319.405 0.344 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000884373549 667533772 /nfs/dbraw/zinc/53/37/72/667533772.db2.gz PXNNTOXIFHYGIY-OAHLLOKOSA-N 2 2 308.426 0.106 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000884373549 667533773 /nfs/dbraw/zinc/53/37/73/667533773.db2.gz PXNNTOXIFHYGIY-OAHLLOKOSA-N 2 2 308.426 0.106 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000884373549 667533775 /nfs/dbraw/zinc/53/37/75/667533775.db2.gz PXNNTOXIFHYGIY-OAHLLOKOSA-N 2 2 308.426 0.106 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000884420578 667542340 /nfs/dbraw/zinc/54/23/40/667542340.db2.gz XNQNTLJDMPYALF-HNNXBMFYSA-N 2 2 323.437 0.671 20 30 DCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886309084 667754334 /nfs/dbraw/zinc/75/43/34/667754334.db2.gz SWQRLCLACZMYLX-CQSZACIVSA-N 2 2 308.426 0.137 20 30 DCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886309084 667754337 /nfs/dbraw/zinc/75/43/37/667754337.db2.gz SWQRLCLACZMYLX-CQSZACIVSA-N 2 2 308.426 0.137 20 30 DCEDLP C=CCC1(O)CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000886759908 667799077 /nfs/dbraw/zinc/79/90/77/667799077.db2.gz SVIODVBYLSLIKB-OAHLLOKOSA-N 2 2 309.454 0.942 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)cn1 ZINC000889240739 667957904 /nfs/dbraw/zinc/95/79/04/667957904.db2.gz MVPGTKGSBYAIQN-UHFFFAOYSA-N 2 2 304.398 0.958 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)cn1 ZINC000889240739 667957908 /nfs/dbraw/zinc/95/79/08/667957908.db2.gz MVPGTKGSBYAIQN-UHFFFAOYSA-N 2 2 304.398 0.958 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000890365308 668121425 /nfs/dbraw/zinc/12/14/25/668121425.db2.gz SJXHAWRFGJGQEX-HOTGVXAUSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000890365308 668121430 /nfs/dbraw/zinc/12/14/30/668121430.db2.gz SJXHAWRFGJGQEX-HOTGVXAUSA-N 2 2 322.453 0.446 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]OC3CCOCC3)cn2)CC1 ZINC000774469334 668834870 /nfs/dbraw/zinc/83/48/70/668834870.db2.gz LJWSQWCVZQTYEZ-UHFFFAOYSA-N 2 2 305.382 0.758 20 30 DCEDLP C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000880478297 669216358 /nfs/dbraw/zinc/21/63/58/669216358.db2.gz ZVCQVXJZUCYXTN-HNNXBMFYSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC1(F)CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000883248968 669664915 /nfs/dbraw/zinc/66/49/15/669664915.db2.gz NNHLMJXYCDNLEJ-UHFFFAOYSA-N 2 2 322.428 0.912 20 30 DCEDLP C=CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949534064 670363811 /nfs/dbraw/zinc/36/38/11/670363811.db2.gz NHDVIMIOXMHCCH-UHFFFAOYSA-N 2 2 304.394 0.763 20 30 DCEDLP C=CC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949534064 670363815 /nfs/dbraw/zinc/36/38/15/670363815.db2.gz NHDVIMIOXMHCCH-UHFFFAOYSA-N 2 2 304.394 0.763 20 30 DCEDLP CNC(NCc1ccccc1OCC[NH+]1CCOCC1)=[NH+]C ZINC000303252182 685205802 /nfs/dbraw/zinc/20/58/02/685205802.db2.gz BFRCDVVNBBIROP-UHFFFAOYSA-N 2 2 306.410 0.692 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303881350 685208367 /nfs/dbraw/zinc/20/83/67/685208367.db2.gz KVCLVIOTZNQSDE-HOTGVXAUSA-N 3 2 324.517 0.259 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000303881350 685208371 /nfs/dbraw/zinc/20/83/71/685208371.db2.gz KVCLVIOTZNQSDE-HOTGVXAUSA-N 3 2 324.517 0.259 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOC1CCC1 ZINC001038368037 694058462 /nfs/dbraw/zinc/05/84/62/694058462.db2.gz OUMGETQMSASVRD-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOC1CCC1 ZINC001038368037 694058466 /nfs/dbraw/zinc/05/84/66/694058466.db2.gz OUMGETQMSASVRD-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOC1CCC1 ZINC001038368037 694058474 /nfs/dbraw/zinc/05/84/74/694058474.db2.gz OUMGETQMSASVRD-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOC1CCC1 ZINC001038368037 694058478 /nfs/dbraw/zinc/05/84/78/694058478.db2.gz OUMGETQMSASVRD-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC1CCOCC1 ZINC001038369313 694059169 /nfs/dbraw/zinc/05/91/69/694059169.db2.gz UPVLRSROLGNGES-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCOCC1 ZINC001038369313 694059174 /nfs/dbraw/zinc/05/91/74/694059174.db2.gz UPVLRSROLGNGES-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCOCC1 ZINC001038369313 694059177 /nfs/dbraw/zinc/05/91/77/694059177.db2.gz UPVLRSROLGNGES-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CC1CCOCC1 ZINC001038369313 694059180 /nfs/dbraw/zinc/05/91/80/694059180.db2.gz UPVLRSROLGNGES-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183967 687415578 /nfs/dbraw/zinc/41/55/78/687415578.db2.gz SKBNRZWJZTVKOL-BBRMVZONSA-N 2 2 312.373 0.609 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183967 687415581 /nfs/dbraw/zinc/41/55/81/687415581.db2.gz SKBNRZWJZTVKOL-BBRMVZONSA-N 2 2 312.373 0.609 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000968954359 690434345 /nfs/dbraw/zinc/43/43/45/690434345.db2.gz IBVGYHSVONUDIC-CABCVRRESA-N 2 2 302.378 0.463 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000968954359 690434347 /nfs/dbraw/zinc/43/43/47/690434347.db2.gz IBVGYHSVONUDIC-CABCVRRESA-N 2 2 302.378 0.463 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001014779816 692091162 /nfs/dbraw/zinc/09/11/62/692091162.db2.gz NPAWXNYFFLYNEY-CVEARBPZSA-N 2 2 315.421 0.171 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cccn2)C1 ZINC001014779816 692091165 /nfs/dbraw/zinc/09/11/65/692091165.db2.gz NPAWXNYFFLYNEY-CVEARBPZSA-N 2 2 315.421 0.171 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001014779816 692091168 /nfs/dbraw/zinc/09/11/68/692091168.db2.gz NPAWXNYFFLYNEY-CVEARBPZSA-N 2 2 315.421 0.171 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001014779816 692091171 /nfs/dbraw/zinc/09/11/71/692091171.db2.gz NPAWXNYFFLYNEY-CVEARBPZSA-N 2 2 315.421 0.171 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001018985763 693307451 /nfs/dbraw/zinc/30/74/51/693307451.db2.gz DFMKGJLWRAWPRY-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC001018985763 693307457 /nfs/dbraw/zinc/30/74/57/693307457.db2.gz DFMKGJLWRAWPRY-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nncn1C ZINC001691350083 1157649968 /nfs/dbraw/zinc/64/99/68/1157649968.db2.gz MPMPSJFIRUQQDA-KGLIPLIRSA-N 2 2 318.425 0.022 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nncn1C ZINC001691350083 1157649971 /nfs/dbraw/zinc/64/99/71/1157649971.db2.gz MPMPSJFIRUQQDA-KGLIPLIRSA-N 2 2 318.425 0.022 20 30 DCEDLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC#CCOC)[NH+](CC)CC ZINC001754493472 1157748224 /nfs/dbraw/zinc/74/82/24/1157748224.db2.gz BJIXRZYZCWAIFQ-JKSUJKDBSA-N 2 2 309.454 0.947 20 30 DCEDLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC#CCOC)[NH+](CC)CC ZINC001754493472 1157748228 /nfs/dbraw/zinc/74/82/28/1157748228.db2.gz BJIXRZYZCWAIFQ-JKSUJKDBSA-N 2 2 309.454 0.947 20 30 DCEDLP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001571674770 1162891423 /nfs/dbraw/zinc/89/14/23/1162891423.db2.gz NCQWTSHADMJRRQ-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001752425787 1157937585 /nfs/dbraw/zinc/93/75/85/1157937585.db2.gz FRNSSGGPVAGYPJ-CQSZACIVSA-N 2 2 300.406 0.957 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC#CCOC ZINC001566029893 1159944319 /nfs/dbraw/zinc/94/43/19/1159944319.db2.gz UCQVMMSUBIRQPJ-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC#CCOC ZINC001566029893 1159944333 /nfs/dbraw/zinc/94/43/33/1159944333.db2.gz UCQVMMSUBIRQPJ-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnon1)C1CC1 ZINC001566710455 1160134788 /nfs/dbraw/zinc/13/47/88/1160134788.db2.gz BQYDYGOYRKVLKF-GJZGRUSLSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1cnon1)C1CC1 ZINC001566710455 1160134793 /nfs/dbraw/zinc/13/47/93/1160134793.db2.gz BQYDYGOYRKVLKF-GJZGRUSLSA-N 2 2 317.393 0.152 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001566776852 1160149141 /nfs/dbraw/zinc/14/91/41/1160149141.db2.gz LEOQGDIMJKOHNJ-LBPRGKRZSA-N 2 2 319.409 0.180 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001566844318 1160166105 /nfs/dbraw/zinc/16/61/05/1160166105.db2.gz 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318.421 0.575 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001725132074 1184691991 /nfs/dbraw/zinc/69/19/91/1184691991.db2.gz RTNDRNJPGUXKSI-KBPBESRZSA-N 2 2 306.410 0.485 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725495296 1184845390 /nfs/dbraw/zinc/84/53/90/1184845390.db2.gz MDGIFJCTHROLAF-LSDHHAIUSA-N 2 2 318.421 0.532 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncccn1 ZINC001731729156 1185460877 /nfs/dbraw/zinc/46/08/77/1185460877.db2.gz MBZIDYAFXZAZNK-CABCVRRESA-N 2 2 315.421 0.559 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ncccn1 ZINC001731729156 1185460881 /nfs/dbraw/zinc/46/08/81/1185460881.db2.gz MBZIDYAFXZAZNK-CABCVRRESA-N 2 2 315.421 0.559 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001732347948 1185774807 /nfs/dbraw/zinc/77/48/07/1185774807.db2.gz LULQOIRSGNTQBO-OCCSQVGLSA-N 2 2 318.425 0.053 20 30 DCEDLP 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773533461 /nfs/dbraw/zinc/53/34/61/773533461.db2.gz CVSXHXIUDINVAT-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCOCC=C)CC1 ZINC001196192119 773546329 /nfs/dbraw/zinc/54/63/29/773546329.db2.gz ZPRSYNMEJCVHID-KRWDZBQOSA-N 2 2 319.449 0.821 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCOCC=C)CC1 ZINC001196192119 773546332 /nfs/dbraw/zinc/54/63/32/773546332.db2.gz ZPRSYNMEJCVHID-KRWDZBQOSA-N 2 2 319.449 0.821 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCOCC=C)CC1 ZINC001196192119 773546336 /nfs/dbraw/zinc/54/63/36/773546336.db2.gz ZPRSYNMEJCVHID-KRWDZBQOSA-N 2 2 319.449 0.821 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCOCC=C)CC1 ZINC001196192119 773546341 /nfs/dbraw/zinc/54/63/41/773546341.db2.gz ZPRSYNMEJCVHID-KRWDZBQOSA-N 2 2 319.449 0.821 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209697481 773636197 /nfs/dbraw/zinc/63/61/97/773636197.db2.gz FYBYRYIIANYWFI-IAGOWNOFSA-N 2 2 321.465 0.805 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209697481 773636201 /nfs/dbraw/zinc/63/62/01/773636201.db2.gz FYBYRYIIANYWFI-IAGOWNOFSA-N 2 2 321.465 0.805 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859584 773894806 /nfs/dbraw/zinc/89/48/06/773894806.db2.gz GKOKWMGEQHSWSF-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](OC)C1 ZINC001213859584 773894815 /nfs/dbraw/zinc/89/48/15/773894815.db2.gz GKOKWMGEQHSWSF-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218049604 774210322 /nfs/dbraw/zinc/21/03/22/774210322.db2.gz VGBKFCIKVIHFSW-QLFBSQMISA-N 2 2 311.401 0.211 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218049604 774210325 /nfs/dbraw/zinc/21/03/25/774210325.db2.gz VGBKFCIKVIHFSW-QLFBSQMISA-N 2 2 311.401 0.211 20 30 DCEDLP COC(=O)c1scc(C#N)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218605489 774261096 /nfs/dbraw/zinc/26/10/96/774261096.db2.gz TYFTYWJDKGHSKM-SECBINFHSA-N 2 2 319.346 0.638 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200367009 774330887 /nfs/dbraw/zinc/33/08/87/774330887.db2.gz KHPJDXZWSBIQDS-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219031808 774351148 /nfs/dbraw/zinc/35/11/48/774351148.db2.gz DMRASISPEQAGLJ-JKSUJKDBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219031808 774351154 /nfs/dbraw/zinc/35/11/54/774351154.db2.gz DMRASISPEQAGLJ-JKSUJKDBSA-N 2 2 323.437 0.196 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCCO1 ZINC001200786590 774408895 /nfs/dbraw/zinc/40/88/95/774408895.db2.gz HCBDZPZTBPHQCU-OAHLLOKOSA-N 2 2 318.421 0.767 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201105060 774447788 /nfs/dbraw/zinc/44/77/88/774447788.db2.gz XTEATUJDFFCLIH-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C/CC)C[C@@H]1O ZINC001219821538 774620130 /nfs/dbraw/zinc/62/01/30/774620130.db2.gz PYAQZEUVUVFNHI-RKOVHHPESA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@@H]1O ZINC001219821538 774620133 /nfs/dbraw/zinc/62/01/33/774620133.db2.gz PYAQZEUVUVFNHI-RKOVHHPESA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CC)C[C@@H]1O ZINC001219821538 774620136 /nfs/dbraw/zinc/62/01/36/774620136.db2.gz PYAQZEUVUVFNHI-RKOVHHPESA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C/CC)C[C@@H]1O ZINC001219821538 774620139 /nfs/dbraw/zinc/62/01/39/774620139.db2.gz PYAQZEUVUVFNHI-RKOVHHPESA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)[C@@H](O)C1 ZINC001220746433 774907427 /nfs/dbraw/zinc/90/74/27/774907427.db2.gz AEIOZNACEPKHGA-IKGGRYGDSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@@H](O)C1 ZINC001220746433 774907430 /nfs/dbraw/zinc/90/74/30/774907430.db2.gz AEIOZNACEPKHGA-IKGGRYGDSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746433 774907432 /nfs/dbraw/zinc/90/74/32/774907432.db2.gz AEIOZNACEPKHGA-IKGGRYGDSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@@H](O)C1 ZINC001220746433 774907435 /nfs/dbraw/zinc/90/74/35/774907435.db2.gz AEIOZNACEPKHGA-IKGGRYGDSA-N 2 2 315.417 0.474 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793119 775199558 /nfs/dbraw/zinc/19/95/58/775199558.db2.gz PLWVPDNUJZXXBN-BRWVUGGUSA-N 2 2 321.465 0.755 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221793119 775199567 /nfs/dbraw/zinc/19/95/67/775199567.db2.gz PLWVPDNUJZXXBN-BRWVUGGUSA-N 2 2 321.465 0.755 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221978733 775241805 /nfs/dbraw/zinc/24/18/05/775241805.db2.gz CEYQGCBUGFXWCN-GDBMZVCRSA-N 2 2 318.421 0.996 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001221978733 775241813 /nfs/dbraw/zinc/24/18/13/775241813.db2.gz CEYQGCBUGFXWCN-GDBMZVCRSA-N 2 2 318.421 0.996 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099680 775271670 /nfs/dbraw/zinc/27/16/70/775271670.db2.gz ZSOQNEGIBQNWEZ-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266246814 939025731 /nfs/dbraw/zinc/02/57/31/939025731.db2.gz XDXKCFFERCBVED-KGLIPLIRSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266246814 939025733 /nfs/dbraw/zinc/02/57/33/939025733.db2.gz XDXKCFFERCBVED-KGLIPLIRSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001266251928 939027222 /nfs/dbraw/zinc/02/72/22/939027222.db2.gz IRAZZOBYVOGRJD-AWEZNQCLSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266251928 939027225 /nfs/dbraw/zinc/02/72/25/939027225.db2.gz IRAZZOBYVOGRJD-AWEZNQCLSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251928 939027228 /nfs/dbraw/zinc/02/72/28/939027228.db2.gz IRAZZOBYVOGRJD-AWEZNQCLSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266251928 939027229 /nfs/dbraw/zinc/02/72/29/939027229.db2.gz IRAZZOBYVOGRJD-AWEZNQCLSA-N 2 2 310.442 0.209 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306157 939062446 /nfs/dbraw/zinc/06/24/46/939062446.db2.gz FMHSQQOYRLGBKS-AWEZNQCLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306157 939062449 /nfs/dbraw/zinc/06/24/49/939062449.db2.gz FMHSQQOYRLGBKS-AWEZNQCLSA-N 2 2 322.453 0.047 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001267572938 939518470 /nfs/dbraw/zinc/51/84/70/939518470.db2.gz CBVWLUBAUWTPAV-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267572938 939518473 /nfs/dbraw/zinc/51/84/73/939518473.db2.gz CBVWLUBAUWTPAV-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001268007588 939732218 /nfs/dbraw/zinc/73/22/18/939732218.db2.gz FBJHRGWOGRLZCS-QWHCGFSZSA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001481472074 939885113 /nfs/dbraw/zinc/88/51/13/939885113.db2.gz GXMFUCZOXGNSDD-UHFFFAOYSA-N 2 2 308.470 0.428 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001318374781 945336170 /nfs/dbraw/zinc/33/61/70/945336170.db2.gz WBYCVPOOJMEHLC-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001318374781 945336178 /nfs/dbraw/zinc/33/61/78/945336178.db2.gz WBYCVPOOJMEHLC-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001318374781 945336187 /nfs/dbraw/zinc/33/61/87/945336187.db2.gz WBYCVPOOJMEHLC-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001318374781 945336197 /nfs/dbraw/zinc/33/61/97/945336197.db2.gz WBYCVPOOJMEHLC-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001270299087 940875133 /nfs/dbraw/zinc/87/51/33/940875133.db2.gz SAUUEXQBMLWAFA-CYBMUJFWSA-N 2 2 319.409 0.143 20 30 DCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001270744009 940980557 /nfs/dbraw/zinc/98/05/57/940980557.db2.gz FWIVUMXDMQYQLX-WMLDXEAASA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001482439076 941221323 /nfs/dbraw/zinc/22/13/23/941221323.db2.gz KRQFNZGADPWLFR-GJZGRUSLSA-N 2 2 306.410 0.912 20 30 DCEDLP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271965487 941495065 /nfs/dbraw/zinc/49/50/65/941495065.db2.gz MLAGYTIDKOEVLY-INIZCTEOSA-N 2 2 304.394 0.309 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271965487 941495066 /nfs/dbraw/zinc/49/50/66/941495066.db2.gz MLAGYTIDKOEVLY-INIZCTEOSA-N 2 2 304.394 0.309 20 30 DCEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272196758 941794505 /nfs/dbraw/zinc/79/45/05/941794505.db2.gz OGYNPXMBSPNFCQ-CQSZACIVSA-N 2 2 306.410 0.432 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001483704577 942709781 /nfs/dbraw/zinc/70/97/81/942709781.db2.gz BTQDFIXUZNRGNM-LSDHHAIUSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H]2CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001483704577 942709786 /nfs/dbraw/zinc/70/97/86/942709786.db2.gz BTQDFIXUZNRGNM-LSDHHAIUSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001483704577 942709787 /nfs/dbraw/zinc/70/97/87/942709787.db2.gz BTQDFIXUZNRGNM-LSDHHAIUSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001483704577 942709790 /nfs/dbraw/zinc/70/97/90/942709790.db2.gz BTQDFIXUZNRGNM-LSDHHAIUSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254027 943256060 /nfs/dbraw/zinc/25/60/60/943256060.db2.gz DNKKNZOSCOXOCN-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254027 943256066 /nfs/dbraw/zinc/25/60/66/943256066.db2.gz DNKKNZOSCOXOCN-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484444756 943391119 /nfs/dbraw/zinc/39/11/19/943391119.db2.gz WSNAWNKVPCPNCC-CKEIUWERSA-N 2 2 318.421 0.653 20 30 DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484444756 943391122 /nfs/dbraw/zinc/39/11/22/943391122.db2.gz WSNAWNKVPCPNCC-CKEIUWERSA-N 2 2 318.421 0.653 20 30 DCEDLP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001484857666 943602903 /nfs/dbraw/zinc/60/29/03/943602903.db2.gz VWJLHDFLZHJYHQ-INIZCTEOSA-N 2 2 306.410 0.780 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001484962996 943634425 /nfs/dbraw/zinc/63/44/25/943634425.db2.gz IYCPZHGRVVCJII-UHFFFAOYSA-N 2 2 306.410 0.482 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)cn1 ZINC001493577014 943994351 /nfs/dbraw/zinc/99/43/51/943994351.db2.gz FJGUPPLOKUFMLR-INIZCTEOSA-N 2 2 315.421 0.431 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)cn1 ZINC001493577014 943994357 /nfs/dbraw/zinc/99/43/57/943994357.db2.gz FJGUPPLOKUFMLR-INIZCTEOSA-N 2 2 315.421 0.431 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)CC1(C)C ZINC001485571494 944003581 /nfs/dbraw/zinc/00/35/81/944003581.db2.gz KIXWBKUQGSIEAI-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCOC)CC1(C)C ZINC001485571494 944003589 /nfs/dbraw/zinc/00/35/89/944003589.db2.gz KIXWBKUQGSIEAI-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC)CC1(C)C ZINC001485571494 944003594 /nfs/dbraw/zinc/00/35/94/944003594.db2.gz KIXWBKUQGSIEAI-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCOC)CC1(C)C ZINC001485571494 944003602 /nfs/dbraw/zinc/00/36/02/944003602.db2.gz KIXWBKUQGSIEAI-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001272808775 944240247 /nfs/dbraw/zinc/24/02/47/944240247.db2.gz SLKOGEABKBKWDR-QGZVFWFLSA-N 2 2 314.389 0.178 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001272808775 944240252 /nfs/dbraw/zinc/24/02/52/944240252.db2.gz SLKOGEABKBKWDR-QGZVFWFLSA-N 2 2 314.389 0.178 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001276874452 944336520 /nfs/dbraw/zinc/33/65/20/944336520.db2.gz FBZFAMIOMASSPJ-GDBMZVCRSA-N 2 2 318.421 0.839 20 30 DCEDLP 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C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001422344373 1009917743 /nfs/dbraw/zinc/91/77/43/1009917743.db2.gz JISSLDHAJNNJEJ-YPMHNXCESA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001445218029 1011532192 /nfs/dbraw/zinc/53/21/92/1011532192.db2.gz WOPVATSCBLYKLN-NSHDSACASA-N 2 2 308.769 0.767 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001424235987 1012212846 /nfs/dbraw/zinc/21/28/46/1012212846.db2.gz IHOIMIYICYTHDE-CYBMUJFWSA-N 2 2 312.801 0.843 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001479311432 1017491840 /nfs/dbraw/zinc/49/18/40/1017491840.db2.gz QKUJKVVYPNVWEO-GASCZTMLSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479657672 1017633522 /nfs/dbraw/zinc/63/35/22/1017633522.db2.gz MRSUZOKAVUQYKN-HZPDHXFCSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479657672 1017633533 /nfs/dbraw/zinc/63/35/33/1017633533.db2.gz MRSUZOKAVUQYKN-HZPDHXFCSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCOC)[C@@H]1C ZINC001479709145 1017666907 /nfs/dbraw/zinc/66/69/07/1017666907.db2.gz XMLDLDBOADGPQW-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCOC)[C@@H]1C ZINC001479709145 1017666914 /nfs/dbraw/zinc/66/69/14/1017666914.db2.gz XMLDLDBOADGPQW-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC)[C@@H]1C ZINC001479709145 1017666918 /nfs/dbraw/zinc/66/69/18/1017666918.db2.gz XMLDLDBOADGPQW-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCOC)[C@@H]1C ZINC001479709145 1017666920 /nfs/dbraw/zinc/66/69/20/1017666920.db2.gz XMLDLDBOADGPQW-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001479801453 1017789445 /nfs/dbraw/zinc/78/94/45/1017789445.db2.gz VFDUYVDGRJGHMB-CQSZACIVSA-N 2 2 306.410 0.676 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001479801453 1017789454 /nfs/dbraw/zinc/78/94/54/1017789454.db2.gz VFDUYVDGRJGHMB-CQSZACIVSA-N 2 2 306.410 0.676 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001479801453 1017789463 /nfs/dbraw/zinc/78/94/63/1017789463.db2.gz VFDUYVDGRJGHMB-CQSZACIVSA-N 2 2 306.410 0.676 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001479801453 1017789481 /nfs/dbraw/zinc/78/94/81/1017789481.db2.gz VFDUYVDGRJGHMB-CQSZACIVSA-N 2 2 306.410 0.676 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001479911415 1017961836 /nfs/dbraw/zinc/96/18/36/1017961836.db2.gz FCQOSTQEVXIFGN-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001479911415 1017961845 /nfs/dbraw/zinc/96/18/45/1017961845.db2.gz FCQOSTQEVXIFGN-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001479911415 1017961855 /nfs/dbraw/zinc/96/18/55/1017961855.db2.gz FCQOSTQEVXIFGN-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001479911415 1017961862 /nfs/dbraw/zinc/96/18/62/1017961862.db2.gz FCQOSTQEVXIFGN-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480651318 1018745176 /nfs/dbraw/zinc/74/51/76/1018745176.db2.gz JNNHLMAECLUHSU-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001501469520 1019209327 /nfs/dbraw/zinc/20/93/27/1019209327.db2.gz NUTMUOYICJFVHH-CQSZACIVSA-N 2 2 306.410 0.432 20 30 DCEDLP C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501830879 1019498213 /nfs/dbraw/zinc/49/82/13/1019498213.db2.gz HOLYQIXEFOPROJ-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501830879 1019498217 /nfs/dbraw/zinc/49/82/17/1019498217.db2.gz HOLYQIXEFOPROJ-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCC(C)C ZINC001498997008 1019628399 /nfs/dbraw/zinc/62/83/99/1019628399.db2.gz DBQLAOQKOATUBR-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCC(C)C ZINC001498997008 1019628409 /nfs/dbraw/zinc/62/84/09/1019628409.db2.gz DBQLAOQKOATUBR-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOCC(C)C ZINC001498997008 1019628420 /nfs/dbraw/zinc/62/84/20/1019628420.db2.gz DBQLAOQKOATUBR-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOCC(C)C ZINC001498997008 1019628433 /nfs/dbraw/zinc/62/84/33/1019628433.db2.gz DBQLAOQKOATUBR-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001496921820 1019762198 /nfs/dbraw/zinc/76/21/98/1019762198.db2.gz BRUMQIXEMDNSHV-LSDHHAIUSA-N 2 2 304.394 0.407 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001502150333 1019763298 /nfs/dbraw/zinc/76/32/98/1019763298.db2.gz UHPCMSUYKKWXTR-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001502150333 1019763316 /nfs/dbraw/zinc/76/33/16/1019763316.db2.gz UHPCMSUYKKWXTR-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000491372671 533102722 /nfs/dbraw/zinc/10/27/22/533102722.db2.gz KKVCEZKOZXNQOC-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000491372671 533102728 /nfs/dbraw/zinc/10/27/28/533102728.db2.gz KKVCEZKOZXNQOC-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000491372671 533102732 /nfs/dbraw/zinc/10/27/32/533102732.db2.gz KKVCEZKOZXNQOC-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000491372671 533102739 /nfs/dbraw/zinc/10/27/39/533102739.db2.gz KKVCEZKOZXNQOC-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000051763603 395855371 /nfs/dbraw/zinc/85/53/71/395855371.db2.gz HNFYUKPWBSMMSZ-UHFFFAOYSA-N 2 2 316.405 0.643 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000081648919 396307225 /nfs/dbraw/zinc/30/72/25/396307225.db2.gz BUWSGFKIVUQJGU-UHFFFAOYSA-N 2 2 310.401 0.767 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000081648919 396307229 /nfs/dbraw/zinc/30/72/29/396307229.db2.gz BUWSGFKIVUQJGU-UHFFFAOYSA-N 2 2 310.401 0.767 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000601317426 397052865 /nfs/dbraw/zinc/05/28/65/397052865.db2.gz LFOCSXKSZAULJV-OAHLLOKOSA-N 2 2 309.458 0.182 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000601317426 397052867 /nfs/dbraw/zinc/05/28/67/397052867.db2.gz LFOCSXKSZAULJV-OAHLLOKOSA-N 2 2 309.458 0.182 20 30 DCEDLP C[C@@H]1[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000592757947 397243148 /nfs/dbraw/zinc/24/31/48/397243148.db2.gz VFDDDFSMDFVNKD-HUUCEWRRSA-N 2 2 308.426 0.401 20 30 DCEDLP C[C@@H]1[C@H](C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000592757947 397243151 /nfs/dbraw/zinc/24/31/51/397243151.db2.gz VFDDDFSMDFVNKD-HUUCEWRRSA-N 2 2 308.426 0.401 20 30 DCEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593374 397254003 /nfs/dbraw/zinc/25/40/03/397254003.db2.gz RSJCTQVIGLKCHG-LSDHHAIUSA-N 2 2 322.453 0.526 20 30 DCEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598593374 397254008 /nfs/dbraw/zinc/25/40/08/397254008.db2.gz RSJCTQVIGLKCHG-LSDHHAIUSA-N 2 2 322.453 0.526 20 30 DCEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593371 397254190 /nfs/dbraw/zinc/25/41/90/397254190.db2.gz RSJCTQVIGLKCHG-CABCVRRESA-N 2 2 322.453 0.526 20 30 DCEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598593371 397254192 /nfs/dbraw/zinc/25/41/92/397254192.db2.gz RSJCTQVIGLKCHG-CABCVRRESA-N 2 2 322.453 0.526 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)[C@@H](C[NH3+])C1 ZINC000574384871 397261880 /nfs/dbraw/zinc/26/18/80/397261880.db2.gz AQGPBIQXZWIJMK-ZDUSSCGKSA-N 2 2 305.357 0.482 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)c(F)c2)[C@@H](C[NH3+])C1 ZINC000574384871 397261886 /nfs/dbraw/zinc/26/18/86/397261886.db2.gz AQGPBIQXZWIJMK-ZDUSSCGKSA-N 2 2 305.357 0.482 20 30 DCEDLP C[C@@H](C#N)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000613862802 397338626 /nfs/dbraw/zinc/33/86/26/397338626.db2.gz WBWYNYXPOHUWGO-ZFWWWQNUSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@@H](C#N)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000613862802 397338629 /nfs/dbraw/zinc/33/86/29/397338629.db2.gz WBWYNYXPOHUWGO-ZFWWWQNUSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602593553 397445765 /nfs/dbraw/zinc/44/57/65/397445765.db2.gz JJJXENQUOQHNPZ-CABCVRRESA-N 2 2 308.426 0.449 20 30 DCEDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(OCC#N)cc2)[C@H](C[NH3+])C1 ZINC000493147903 397525683 /nfs/dbraw/zinc/52/56/83/397525683.db2.gz FKFDVFRPSZORQG-IJVDHGTGSA-N 2 2 314.389 0.703 20 30 DCEDLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(OCC#N)cc2)[C@H](C[NH3+])C1 ZINC000493147903 397525688 /nfs/dbraw/zinc/52/56/88/397525688.db2.gz FKFDVFRPSZORQG-IJVDHGTGSA-N 2 2 314.389 0.703 20 30 DCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051763163 415319742 /nfs/dbraw/zinc/31/97/42/415319742.db2.gz BNELVAKVJFYLQL-OAHLLOKOSA-N 2 2 324.469 0.505 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126411138 415874627 /nfs/dbraw/zinc/87/46/27/415874627.db2.gz QHNGNGXTBOMNQE-OAHLLOKOSA-N 2 2 323.485 0.705 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126411138 415874632 /nfs/dbraw/zinc/87/46/32/415874632.db2.gz QHNGNGXTBOMNQE-OAHLLOKOSA-N 2 2 323.485 0.705 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126411138 415874642 /nfs/dbraw/zinc/87/46/42/415874642.db2.gz QHNGNGXTBOMNQE-OAHLLOKOSA-N 2 2 323.485 0.705 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000337169475 415920555 /nfs/dbraw/zinc/92/05/55/415920555.db2.gz CCFKSNLYFDTLOU-XUWVNRHRSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000337169475 415920560 /nfs/dbraw/zinc/92/05/60/415920560.db2.gz CCFKSNLYFDTLOU-XUWVNRHRSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337171006 415922205 /nfs/dbraw/zinc/92/22/05/415922205.db2.gz DFQPIMOCNKRYQY-ZACQAIPSSA-N 2 2 320.481 0.731 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337171006 415922209 /nfs/dbraw/zinc/92/22/09/415922209.db2.gz DFQPIMOCNKRYQY-ZACQAIPSSA-N 2 2 320.481 0.731 20 30 DCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[NH+]3CCC3)CC2)CC1 ZINC000328732918 416128621 /nfs/dbraw/zinc/12/86/21/416128621.db2.gz XTQKLULXRYLRTG-UHFFFAOYSA-N 3 2 323.485 0.754 20 30 DCEDLP C[C@H]([C@H](C)[NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCOCC1 ZINC000329546409 416177329 /nfs/dbraw/zinc/17/73/29/416177329.db2.gz HCZQTRITBHQEJC-YNEHKIRRSA-N 2 2 321.425 0.880 20 30 DCEDLP C[C@H]([C@H](C)[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCOCC1 ZINC000329546409 416177333 /nfs/dbraw/zinc/17/73/33/416177333.db2.gz HCZQTRITBHQEJC-YNEHKIRRSA-N 2 2 321.425 0.880 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329755815 416189436 /nfs/dbraw/zinc/18/94/36/416189436.db2.gz YINFWCWQYSBYOT-NWDGAFQWSA-N 2 2 307.398 0.179 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329755815 416189438 /nfs/dbraw/zinc/18/94/38/416189438.db2.gz YINFWCWQYSBYOT-NWDGAFQWSA-N 2 2 307.398 0.179 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000490899833 416578962 /nfs/dbraw/zinc/57/89/62/416578962.db2.gz PWBFFHYWIZHXCQ-CVEARBPZSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000490899833 416578966 /nfs/dbraw/zinc/57/89/66/416578966.db2.gz PWBFFHYWIZHXCQ-CVEARBPZSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000490951476 416581504 /nfs/dbraw/zinc/58/15/04/416581504.db2.gz YMFBRCOCOMCQOQ-IAGOWNOFSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)CC1 ZINC000491040033 416583034 /nfs/dbraw/zinc/58/30/34/416583034.db2.gz RTJJGNYFLUCUAF-NVXWUHKLSA-N 2 2 307.438 0.247 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424164341 416620430 /nfs/dbraw/zinc/62/04/30/416620430.db2.gz CCZUAXONLFVYMG-QWHCGFSZSA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424164341 416620433 /nfs/dbraw/zinc/62/04/33/416620433.db2.gz CCZUAXONLFVYMG-QWHCGFSZSA-N 2 2 310.398 0.103 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491774406 416626548 /nfs/dbraw/zinc/62/65/48/416626548.db2.gz WEBMUZKKCPAZQV-HZPDHXFCSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491774406 416626552 /nfs/dbraw/zinc/62/65/52/416626552.db2.gz WEBMUZKKCPAZQV-HZPDHXFCSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000491802314 416630816 /nfs/dbraw/zinc/63/08/16/416630816.db2.gz GCODBYOEJWMBNC-CVEARBPZSA-N 2 2 321.465 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000491802314 416630817 /nfs/dbraw/zinc/63/08/17/416630817.db2.gz GCODBYOEJWMBNC-CVEARBPZSA-N 2 2 321.465 0.493 20 30 DCEDLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1(C#N)CC[NH+](C)CC1)CC2 ZINC000563243442 416876459 /nfs/dbraw/zinc/87/64/59/416876459.db2.gz FNDJDQSQHADCHN-CYBMUJFWSA-N 2 2 301.394 0.858 20 30 DCEDLP CC#CC[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000645393385 417738057 /nfs/dbraw/zinc/73/80/57/417738057.db2.gz VIYOXSHWSNOBED-AWEZNQCLSA-N 2 2 310.442 0.086 20 30 DCEDLP C=CCCn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000653593800 418092411 /nfs/dbraw/zinc/09/24/11/418092411.db2.gz QDUKVIXNFZVBQY-UHFFFAOYSA-N 2 2 306.458 0.924 20 30 DCEDLP C=CCCn1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000653593800 418092413 /nfs/dbraw/zinc/09/24/13/418092413.db2.gz QDUKVIXNFZVBQY-UHFFFAOYSA-N 2 2 306.458 0.924 20 30 DCEDLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329815597 336085328 /nfs/dbraw/zinc/08/53/28/336085328.db2.gz VIBPLSHWMQYHDR-AWEZNQCLSA-N 2 2 322.457 0.789 20 30 DCEDLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329815597 336085330 /nfs/dbraw/zinc/08/53/30/336085330.db2.gz VIBPLSHWMQYHDR-AWEZNQCLSA-N 2 2 322.457 0.789 20 30 DCEDLP C[C@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000571686738 337566709 /nfs/dbraw/zinc/56/67/09/337566709.db2.gz AQFZTVGSOOJEMO-OAHLLOKOSA-N 2 2 319.409 0.909 20 30 DCEDLP C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000429726730 338088434 /nfs/dbraw/zinc/08/84/34/338088434.db2.gz SOJLGGZZVWLHGG-INIZCTEOSA-N 2 2 310.486 0.979 20 30 DCEDLP C=CC[N@H+](C)CCN(CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000429726730 338088435 /nfs/dbraw/zinc/08/84/35/338088435.db2.gz SOJLGGZZVWLHGG-INIZCTEOSA-N 2 2 310.486 0.979 20 30 DCEDLP C#CC[C@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](CC#C)CC1 ZINC000491671502 339872834 /nfs/dbraw/zinc/87/28/34/339872834.db2.gz NPEHKLGGTNJFNK-CYBMUJFWSA-N 2 2 315.339 0.698 20 30 DCEDLP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261656063 526345422 /nfs/dbraw/zinc/34/54/22/526345422.db2.gz ADWGIFLZHMEFGJ-QWHCGFSZSA-N 2 2 306.414 0.430 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)NC[C@]1(C)CCCO1 ZINC000179086086 526357430 /nfs/dbraw/zinc/35/74/30/526357430.db2.gz YIBXXGAKHVNXLM-INIZCTEOSA-N 2 2 312.458 0.831 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)NC[C@]1(C)CCCO1 ZINC000179086086 526357432 /nfs/dbraw/zinc/35/74/32/526357432.db2.gz YIBXXGAKHVNXLM-INIZCTEOSA-N 2 2 312.458 0.831 20 30 DCEDLP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262633589 526414262 /nfs/dbraw/zinc/41/42/62/526414262.db2.gz NZDBYGWVMCRTSF-CYBMUJFWSA-N 2 2 320.393 0.411 20 30 DCEDLP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262633589 526414264 /nfs/dbraw/zinc/41/42/64/526414264.db2.gz NZDBYGWVMCRTSF-CYBMUJFWSA-N 2 2 320.393 0.411 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000375596869 526510083 /nfs/dbraw/zinc/51/00/83/526510083.db2.gz LDAPJZGEHGCKGP-CVEARBPZSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000375596869 526510085 /nfs/dbraw/zinc/51/00/85/526510085.db2.gz LDAPJZGEHGCKGP-CVEARBPZSA-N 2 2 306.454 0.485 20 30 DCEDLP C#CCn1ccc(C[N@H+](CC)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000282374004 527182712 /nfs/dbraw/zinc/18/27/12/527182712.db2.gz CIDRWRGKRRJKFT-UHFFFAOYSA-N 2 2 317.437 0.502 20 30 DCEDLP C#CCn1ccc(C[N@@H+](CC)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000282374004 527182714 /nfs/dbraw/zinc/18/27/14/527182714.db2.gz CIDRWRGKRRJKFT-UHFFFAOYSA-N 2 2 317.437 0.502 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647964 528853113 /nfs/dbraw/zinc/85/31/13/528853113.db2.gz NEALHZHLCKZPOC-RHSMWYFYSA-N 2 2 324.469 0.818 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647964 528853116 /nfs/dbraw/zinc/85/31/16/528853116.db2.gz NEALHZHLCKZPOC-RHSMWYFYSA-N 2 2 324.469 0.818 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401397 660533531 /nfs/dbraw/zinc/53/35/31/660533531.db2.gz CPCCZGSKWAPDJW-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401397 660533533 /nfs/dbraw/zinc/53/35/33/660533533.db2.gz CPCCZGSKWAPDJW-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978411285 660534967 /nfs/dbraw/zinc/53/49/67/660534967.db2.gz QKLZDHFMJPFSMV-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978413620 660535500 /nfs/dbraw/zinc/53/55/00/660535500.db2.gz UGZZJICGPMQOTG-TUVASFSCSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978413620 660535501 /nfs/dbraw/zinc/53/55/01/660535501.db2.gz UGZZJICGPMQOTG-TUVASFSCSA-N 2 2 300.406 0.926 20 30 DCEDLP C#CCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982116990 661292824 /nfs/dbraw/zinc/29/28/24/661292824.db2.gz WNANPCHHKHSNAR-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982116990 661292826 /nfs/dbraw/zinc/29/28/26/661292826.db2.gz WNANPCHHKHSNAR-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553045 657766755 /nfs/dbraw/zinc/76/67/55/657766755.db2.gz XVCYOAZPPISLDA-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553045 657766762 /nfs/dbraw/zinc/76/67/62/657766762.db2.gz XVCYOAZPPISLDA-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553045 657766766 /nfs/dbraw/zinc/76/67/66/657766766.db2.gz XVCYOAZPPISLDA-SJLPKXTDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023448911 657876018 /nfs/dbraw/zinc/87/60/18/657876018.db2.gz BEIZIOPLGNONCS-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673246 658220500 /nfs/dbraw/zinc/22/05/00/658220500.db2.gz GECWVAXKQXSTSQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972673246 658220508 /nfs/dbraw/zinc/22/05/08/658220508.db2.gz GECWVAXKQXSTSQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673246 658220512 /nfs/dbraw/zinc/22/05/12/658220512.db2.gz GECWVAXKQXSTSQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673246 658220516 /nfs/dbraw/zinc/22/05/16/658220516.db2.gz GECWVAXKQXSTSQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972682568 658240002 /nfs/dbraw/zinc/24/00/02/658240002.db2.gz GRVNNMKCSZTOIA-QGZVFWFLSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972682568 658240007 /nfs/dbraw/zinc/24/00/07/658240007.db2.gz GRVNNMKCSZTOIA-QGZVFWFLSA-N 2 2 316.405 0.518 20 30 DCEDLP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039350731 658486821 /nfs/dbraw/zinc/48/68/21/658486821.db2.gz LNDQQCNBGKDBFX-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039350731 658486824 /nfs/dbraw/zinc/48/68/24/658486824.db2.gz LNDQQCNBGKDBFX-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350731 658486829 /nfs/dbraw/zinc/48/68/29/658486829.db2.gz LNDQQCNBGKDBFX-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350731 658486831 /nfs/dbraw/zinc/48/68/31/658486831.db2.gz LNDQQCNBGKDBFX-PMPSAXMXSA-N 2 2 307.438 0.958 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295192 658532725 /nfs/dbraw/zinc/53/27/25/658532725.db2.gz ROLJHNMRZNUSQC-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295192 658532728 /nfs/dbraw/zinc/53/27/28/658532728.db2.gz ROLJHNMRZNUSQC-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295192 658532732 /nfs/dbraw/zinc/53/27/32/658532732.db2.gz ROLJHNMRZNUSQC-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295192 658532736 /nfs/dbraw/zinc/53/27/36/658532736.db2.gz ROLJHNMRZNUSQC-DOTOQJQBSA-N 2 2 305.422 0.407 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409056 658730825 /nfs/dbraw/zinc/73/08/25/658730825.db2.gz NVLYCNZTFDSMEC-MRXNPFEDSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409056 658730828 /nfs/dbraw/zinc/73/08/28/658730828.db2.gz NVLYCNZTFDSMEC-MRXNPFEDSA-N 2 2 307.438 0.960 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413069 658738898 /nfs/dbraw/zinc/73/88/98/658738898.db2.gz DJPBFEZFEJWMLU-SJLPKXTDSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413069 658738906 /nfs/dbraw/zinc/73/89/06/658738906.db2.gz DJPBFEZFEJWMLU-SJLPKXTDSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972440041 658771679 /nfs/dbraw/zinc/77/16/79/658771679.db2.gz YQEKWOQDODZFMM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972440041 658771681 /nfs/dbraw/zinc/77/16/81/658771681.db2.gz YQEKWOQDODZFMM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972440041 658771685 /nfs/dbraw/zinc/77/16/85/658771685.db2.gz YQEKWOQDODZFMM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972440041 658771688 /nfs/dbraw/zinc/77/16/88/658771688.db2.gz YQEKWOQDODZFMM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738035 659654379 /nfs/dbraw/zinc/65/43/79/659654379.db2.gz CEQBNQGWDNQYRV-DZGCQCFKSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738035 659654382 /nfs/dbraw/zinc/65/43/82/659654382.db2.gz CEQBNQGWDNQYRV-DZGCQCFKSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641671 661714713 /nfs/dbraw/zinc/71/47/13/661714713.db2.gz ITDQULGDELNWLD-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641671 661714716 /nfs/dbraw/zinc/71/47/16/661714716.db2.gz ITDQULGDELNWLD-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641939 661715120 /nfs/dbraw/zinc/71/51/20/661715120.db2.gz MTYWVAZMZWMQEK-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641939 661715121 /nfs/dbraw/zinc/71/51/21/661715121.db2.gz MTYWVAZMZWMQEK-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028713447 661777129 /nfs/dbraw/zinc/77/71/29/661777129.db2.gz LLQXWGPDDKFJMD-IRXDYDNUSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028713447 661777130 /nfs/dbraw/zinc/77/71/30/661777130.db2.gz LLQXWGPDDKFJMD-IRXDYDNUSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028713447 661777131 /nfs/dbraw/zinc/77/71/31/661777131.db2.gz LLQXWGPDDKFJMD-IRXDYDNUSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028713447 661777133 /nfs/dbraw/zinc/77/71/33/661777133.db2.gz LLQXWGPDDKFJMD-IRXDYDNUSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)COC ZINC001029342539 662111537 /nfs/dbraw/zinc/11/15/37/662111537.db2.gz SZQZSPYFHBMPGR-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)COC ZINC001029342539 662111538 /nfs/dbraw/zinc/11/15/38/662111538.db2.gz SZQZSPYFHBMPGR-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)COC ZINC001029342539 662111539 /nfs/dbraw/zinc/11/15/39/662111539.db2.gz SZQZSPYFHBMPGR-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)OC ZINC001029342478 662111588 /nfs/dbraw/zinc/11/15/88/662111588.db2.gz QBQYMUSRLKBYRT-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)OC ZINC001029342478 662111590 /nfs/dbraw/zinc/11/15/90/662111590.db2.gz QBQYMUSRLKBYRT-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)OC ZINC001029342478 662111591 /nfs/dbraw/zinc/11/15/91/662111591.db2.gz QBQYMUSRLKBYRT-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)OC ZINC001029342478 662111592 /nfs/dbraw/zinc/11/15/92/662111592.db2.gz QBQYMUSRLKBYRT-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920584 665907048 /nfs/dbraw/zinc/90/70/48/665907048.db2.gz MIOGJHWJXKFWOE-INIZCTEOSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920584 665907050 /nfs/dbraw/zinc/90/70/50/665907050.db2.gz MIOGJHWJXKFWOE-INIZCTEOSA-N 2 2 307.438 0.864 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C#CCO)c1 ZINC000912387061 664166178 /nfs/dbraw/zinc/16/61/78/664166178.db2.gz NGGHEMKTVQNUCA-UHFFFAOYSA-N 2 2 317.433 0.644 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C#CCO)c1 ZINC000912387061 664166181 /nfs/dbraw/zinc/16/61/81/664166181.db2.gz NGGHEMKTVQNUCA-UHFFFAOYSA-N 2 2 317.433 0.644 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@H](C)COC)C1 ZINC001030031438 664368233 /nfs/dbraw/zinc/36/82/33/664368233.db2.gz AFGPGBATJNMZQV-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@H](C)COC)C1 ZINC001030031438 664368234 /nfs/dbraw/zinc/36/82/34/664368234.db2.gz AFGPGBATJNMZQV-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+]([C@H](C)COC)C1 ZINC001030031438 664368237 /nfs/dbraw/zinc/36/82/37/664368237.db2.gz AFGPGBATJNMZQV-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+]([C@H](C)COC)C1 ZINC001030031438 664368240 /nfs/dbraw/zinc/36/82/40/664368240.db2.gz AFGPGBATJNMZQV-PMPSAXMXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)COC)C1 ZINC001030031437 664368315 /nfs/dbraw/zinc/36/83/15/664368315.db2.gz AFGPGBATJNMZQV-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]([C@@H](C)COC)C1 ZINC001030031437 664368319 /nfs/dbraw/zinc/36/83/19/664368319.db2.gz AFGPGBATJNMZQV-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+]([C@@H](C)COC)C1 ZINC001030031437 664368322 /nfs/dbraw/zinc/36/83/22/664368322.db2.gz AFGPGBATJNMZQV-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+]([C@@H](C)COC)C1 ZINC001030031437 664368327 /nfs/dbraw/zinc/36/83/27/664368327.db2.gz AFGPGBATJNMZQV-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000914083260 664748262 /nfs/dbraw/zinc/74/82/62/664748262.db2.gz PFFNJTLFZZQSTR-AWEZNQCLSA-N 2 2 308.426 0.104 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001691053841 1157560219 /nfs/dbraw/zinc/56/02/19/1157560219.db2.gz XPYHTFKMWSHZNM-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691053841 1157560223 /nfs/dbraw/zinc/56/02/23/1157560223.db2.gz XPYHTFKMWSHZNM-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001691053841 1157560227 /nfs/dbraw/zinc/56/02/27/1157560227.db2.gz XPYHTFKMWSHZNM-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001570578 666069384 /nfs/dbraw/zinc/06/93/84/666069384.db2.gz UUYBXXBNUZCOSU-UHFFFAOYSA-N 2 2 304.394 0.811 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC001003378997 666303137 /nfs/dbraw/zinc/30/31/37/666303137.db2.gz YGXWQECEIMFFNK-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC001003378997 666303140 /nfs/dbraw/zinc/30/31/40/666303140.db2.gz YGXWQECEIMFFNK-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033868836 666852422 /nfs/dbraw/zinc/85/24/22/666852422.db2.gz JPEDWLZUXXBCIL-OWCLPIDISA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033868836 666852424 /nfs/dbraw/zinc/85/24/24/666852424.db2.gz JPEDWLZUXXBCIL-OWCLPIDISA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033868836 666852426 /nfs/dbraw/zinc/85/24/26/666852426.db2.gz JPEDWLZUXXBCIL-OWCLPIDISA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033868836 666852428 /nfs/dbraw/zinc/85/24/28/666852428.db2.gz JPEDWLZUXXBCIL-OWCLPIDISA-N 2 2 307.438 0.652 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C#N)CCCOC3)C2)CC1 ZINC000865751407 667344028 /nfs/dbraw/zinc/34/40/28/667344028.db2.gz YVYKCBXJRBHGSS-PBHICJAKSA-N 2 2 320.437 0.591 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C#N)CCCOC3)C2)CC1 ZINC000865751407 667344031 /nfs/dbraw/zinc/34/40/31/667344031.db2.gz YVYKCBXJRBHGSS-PBHICJAKSA-N 2 2 320.437 0.591 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=C)C)CCO2)CC1 ZINC001035615416 667393110 /nfs/dbraw/zinc/39/31/10/667393110.db2.gz WACVCKFSJMMPJC-KRWDZBQOSA-N 2 2 319.449 0.725 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=C)C)CCO2)CC1 ZINC001035615416 667393112 /nfs/dbraw/zinc/39/31/12/667393112.db2.gz WACVCKFSJMMPJC-KRWDZBQOSA-N 2 2 319.449 0.725 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCF)C2)CC1 ZINC001035724689 667404121 /nfs/dbraw/zinc/40/41/21/667404121.db2.gz OSTLYXGFQFEBLM-HNNXBMFYSA-N 2 2 307.413 0.978 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCF)C2)CC1 ZINC001035724689 667404122 /nfs/dbraw/zinc/40/41/22/667404122.db2.gz OSTLYXGFQFEBLM-HNNXBMFYSA-N 2 2 307.413 0.978 20 30 DCEDLP CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCOCC1 ZINC000884177455 667491554 /nfs/dbraw/zinc/49/15/54/667491554.db2.gz KACOVFBRQXPBQW-XOYHFGRZSA-N 2 2 320.437 0.353 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000884195412 667495003 /nfs/dbraw/zinc/49/50/03/667495003.db2.gz LWBQXHUKMBFWHY-KBPBESRZSA-N 2 2 309.410 0.520 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000884229152 667505014 /nfs/dbraw/zinc/50/50/14/667505014.db2.gz JOJKDKVXTTWYOU-KGLIPLIRSA-N 2 2 311.426 0.623 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000884229152 667505019 /nfs/dbraw/zinc/50/50/19/667505019.db2.gz JOJKDKVXTTWYOU-KGLIPLIRSA-N 2 2 311.426 0.623 20 30 DCEDLP N#Cc1cc(F)ccc1N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923416743 667527583 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20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000890362629 668120239 /nfs/dbraw/zinc/12/02/39/668120239.db2.gz FXBMQZSOYINFLV-HRCADAONSA-N 2 2 320.437 0.246 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000876733443 668498301 /nfs/dbraw/zinc/49/83/01/668498301.db2.gz YBGWMYSSIMEFNW-CHWSQXEVSA-N 2 2 301.818 0.780 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592005 669069869 /nfs/dbraw/zinc/06/98/69/669069869.db2.gz WDTBDPWKUHARHJ-UHFFFAOYSA-N 2 2 320.481 0.899 20 30 DCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@H]21 ZINC000931278095 669172893 /nfs/dbraw/zinc/17/28/93/669172893.db2.gz XIYPECMUTLRZQN-DZJNRPSUSA-N 2 2 315.417 0.984 20 30 DCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C[C@H]21 ZINC000931278095 669172899 /nfs/dbraw/zinc/17/28/99/669172899.db2.gz XIYPECMUTLRZQN-DZJNRPSUSA-N 2 2 315.417 0.984 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H]2CCOC2)C1 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317.437 0.456 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccn(C)n1 ZINC001689807756 1177065380 /nfs/dbraw/zinc/06/53/80/1177065380.db2.gz HDIQNZXETOSNNO-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccn(C)n1 ZINC001689807756 1177065386 /nfs/dbraw/zinc/06/53/86/1177065386.db2.gz HDIQNZXETOSNNO-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccn(C)n1 ZINC001689807756 1177065393 /nfs/dbraw/zinc/06/53/93/1177065393.db2.gz HDIQNZXETOSNNO-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001690451195 1177246777 /nfs/dbraw/zinc/24/67/77/1177246777.db2.gz ZIZXFBPFISZLAN-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001690451195 1177246782 /nfs/dbraw/zinc/24/67/82/1177246782.db2.gz ZIZXFBPFISZLAN-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001690451195 1177246788 /nfs/dbraw/zinc/24/67/88/1177246788.db2.gz ZIZXFBPFISZLAN-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001690451195 1177246794 /nfs/dbraw/zinc/24/67/94/1177246794.db2.gz ZIZXFBPFISZLAN-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001699199130 1177933864 /nfs/dbraw/zinc/93/38/64/1177933864.db2.gz FCTNBOXNCOXBMI-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001699199130 1177933870 /nfs/dbraw/zinc/93/38/70/1177933870.db2.gz FCTNBOXNCOXBMI-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001699588208 1178207729 /nfs/dbraw/zinc/20/77/29/1178207729.db2.gz KPTLHRAATKLQDP-HOCLYGCPSA-N 2 2 318.421 0.968 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001699853614 1178317995 /nfs/dbraw/zinc/31/79/95/1178317995.db2.gz JSPRTTULOQADKH-QGZVFWFLSA-N 2 2 318.421 0.739 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001699881822 1178329664 /nfs/dbraw/zinc/32/96/64/1178329664.db2.gz HEVJSKULBYEDQV-UHFFFAOYSA-N 2 2 318.421 0.631 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001700232154 1178542391 /nfs/dbraw/zinc/54/23/91/1178542391.db2.gz BXPFMOULXQNRFY-AWEZNQCLSA-N 2 2 304.394 0.809 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001700263098 1178560305 /nfs/dbraw/zinc/56/03/05/1178560305.db2.gz HYUAFCAMKYTQHM-GJZGRUSLSA-N 2 2 304.394 0.360 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001700426783 1178614178 /nfs/dbraw/zinc/61/41/78/1178614178.db2.gz UGPTZPAAPQCEER-MNOVXSKESA-N 2 2 307.398 0.046 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001700605838 1178677078 /nfs/dbraw/zinc/67/70/78/1178677078.db2.gz VGAUZTZGNXHWQK-BBRMVZONSA-N 2 2 317.389 0.471 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713396528 1180797552 /nfs/dbraw/zinc/79/75/52/1180797552.db2.gz CVNZQTYCGMFCRI-OAHLLOKOSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001713396528 1180797557 /nfs/dbraw/zinc/79/75/57/1180797557.db2.gz CVNZQTYCGMFCRI-OAHLLOKOSA-N 2 2 304.394 0.525 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713744195 1181039661 /nfs/dbraw/zinc/03/96/61/1181039661.db2.gz LFGFMLCMJWMFNT-UHFFFAOYSA-N 2 2 320.481 0.428 20 30 DCEDLP C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001713759924 1181052340 /nfs/dbraw/zinc/05/23/40/1181052340.db2.gz UIORBUBNIWEYSG-HNNXBMFYSA-N 2 2 320.437 0.946 20 30 DCEDLP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001713759924 1181052350 /nfs/dbraw/zinc/05/23/50/1181052350.db2.gz UIORBUBNIWEYSG-HNNXBMFYSA-N 2 2 320.437 0.946 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001714249411 1181294757 /nfs/dbraw/zinc/29/47/57/1181294757.db2.gz TWRSFUJBMDULKJ-ZIAGYGMSSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001714433207 1181359765 /nfs/dbraw/zinc/35/97/65/1181359765.db2.gz AQOIXAKEBRYQCV-TZMCWYRMSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714622718 1181445184 /nfs/dbraw/zinc/44/51/84/1181445184.db2.gz MGMBMCOZWPKWPZ-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714622718 1181445185 /nfs/dbraw/zinc/44/51/85/1181445185.db2.gz MGMBMCOZWPKWPZ-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001715991894 1182135389 /nfs/dbraw/zinc/13/53/89/1182135389.db2.gz UADVWSKFPPIKSB-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001715991894 1182135396 /nfs/dbraw/zinc/13/53/96/1182135396.db2.gz UADVWSKFPPIKSB-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001716945160 1182597436 /nfs/dbraw/zinc/59/74/36/1182597436.db2.gz AZIPFEVPZYEKRT-CYBMUJFWSA-N 2 2 306.410 0.480 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001717353147 1182797391 /nfs/dbraw/zinc/79/73/91/1182797391.db2.gz CPIZHUJPWWYLBT-AWEZNQCLSA-N 2 2 318.421 0.555 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001717588265 1182912586 /nfs/dbraw/zinc/91/25/86/1182912586.db2.gz WTGFVQCKHYKBFC-JKSUJKDBSA-N 2 2 321.465 0.805 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001717588265 1182912590 /nfs/dbraw/zinc/91/25/90/1182912590.db2.gz WTGFVQCKHYKBFC-JKSUJKDBSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001717618836 1182928105 /nfs/dbraw/zinc/92/81/05/1182928105.db2.gz MGVLADDSQCEWNS-ZFWWWQNUSA-N 2 2 304.394 0.489 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001724913445 1184616577 /nfs/dbraw/zinc/61/65/77/1184616577.db2.gz OKPZBKUUGXRJBS-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001724916266 1184619180 /nfs/dbraw/zinc/61/91/80/1184619180.db2.gz CQZIQVAAPVOQMV-ZIAGYGMSSA-N 2 2 316.405 0.412 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725021748 1184660871 /nfs/dbraw/zinc/66/08/71/1184660871.db2.gz BJPDLLOWTDEWTP-HNNXBMFYSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001725066838 1184675016 /nfs/dbraw/zinc/67/50/16/1184675016.db2.gz NBKFQDIKOGIAQC-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001725193664 1184716913 /nfs/dbraw/zinc/71/69/13/1184716913.db2.gz QZOLDYAWQJDQSK-OLZOCXBDSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001725258589 1184740926 /nfs/dbraw/zinc/74/09/26/1184740926.db2.gz IXOMOLCWOARCCF-CYBMUJFWSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C)C1CC1 ZINC001731877891 1185544987 /nfs/dbraw/zinc/54/49/87/1185544987.db2.gz OCSUUNYGZRZROM-OAHLLOKOSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001731877891 1185544993 /nfs/dbraw/zinc/54/49/93/1185544993.db2.gz OCSUUNYGZRZROM-OAHLLOKOSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001731877891 1185545001 /nfs/dbraw/zinc/54/50/01/1185545001.db2.gz OCSUUNYGZRZROM-OAHLLOKOSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001731877891 1185545007 /nfs/dbraw/zinc/54/50/07/1185545007.db2.gz OCSUUNYGZRZROM-OAHLLOKOSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733478837 1186285525 /nfs/dbraw/zinc/28/55/25/1186285525.db2.gz JEVDBICUUUAFDJ-QGZVFWFLSA-N 2 2 314.389 0.995 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001733478837 1186285531 /nfs/dbraw/zinc/28/55/31/1186285531.db2.gz JEVDBICUUUAFDJ-QGZVFWFLSA-N 2 2 314.389 0.995 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001733819713 1186461069 /nfs/dbraw/zinc/46/10/69/1186461069.db2.gz WDFAHAYEQOJYMP-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001734113736 1186549142 /nfs/dbraw/zinc/54/91/42/1186549142.db2.gz RYTIOQNGXZSBNJ-CYBMUJFWSA-N 2 2 300.406 0.832 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001734129141 1186555857 /nfs/dbraw/zinc/55/58/57/1186555857.db2.gz PBCKAQRTXIPZTP-ZIAGYGMSSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001734129141 1186555859 /nfs/dbraw/zinc/55/58/59/1186555859.db2.gz PBCKAQRTXIPZTP-ZIAGYGMSSA-N 2 2 322.453 0.067 20 30 DCEDLP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001734290120 1186607025 /nfs/dbraw/zinc/60/70/25/1186607025.db2.gz BDRFZSZRNARQRJ-HNNXBMFYSA-N 2 2 318.421 0.581 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001734522894 1186675969 /nfs/dbraw/zinc/67/59/69/1186675969.db2.gz UGXYWNCQTNSHDJ-KBPBESRZSA-N 2 2 306.410 0.431 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001753918685 1188682205 /nfs/dbraw/zinc/68/22/05/1188682205.db2.gz AEDMOQOTHMOKAA-AWEZNQCLSA-N 2 2 306.410 0.405 20 30 DCEDLP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001754152548 1188761494 /nfs/dbraw/zinc/76/14/94/1188761494.db2.gz OYJLAXYKPBVBTC-JNXQLMTMSA-N 2 2 323.437 0.314 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754180525 1188773747 /nfs/dbraw/zinc/77/37/47/1188773747.db2.gz DQMBQWHUYZMNID-XGACYXMMSA-N 2 2 304.394 0.500 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001754758991 1188924898 /nfs/dbraw/zinc/92/48/98/1188924898.db2.gz GYAOJWPVPQFLDJ-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001754769564 1188930824 /nfs/dbraw/zinc/93/08/24/1188930824.db2.gz DYDTXDPWDQJVFF-CABCVRRESA-N 2 2 305.422 0.190 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001754769564 1188930825 /nfs/dbraw/zinc/93/08/25/1188930825.db2.gz DYDTXDPWDQJVFF-CABCVRRESA-N 2 2 305.422 0.190 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001755301996 1189074353 /nfs/dbraw/zinc/07/43/53/1189074353.db2.gz WYYNGXJXQVQQPH-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001755301996 1189074356 /nfs/dbraw/zinc/07/43/56/1189074356.db2.gz WYYNGXJXQVQQPH-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001755301996 1189074358 /nfs/dbraw/zinc/07/43/58/1189074358.db2.gz WYYNGXJXQVQQPH-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001755301996 1189074361 /nfs/dbraw/zinc/07/43/61/1189074361.db2.gz WYYNGXJXQVQQPH-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042314192 751576023 /nfs/dbraw/zinc/57/60/23/751576023.db2.gz NHVXYNHQGMMQLR-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042314192 751576025 /nfs/dbraw/zinc/57/60/25/751576025.db2.gz NHVXYNHQGMMQLR-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083275910 747725499 /nfs/dbraw/zinc/72/54/99/747725499.db2.gz CCOBUXJOFMMTKX-LSDHHAIUSA-N 2 2 302.378 0.126 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083275910 747725500 /nfs/dbraw/zinc/72/55/00/747725500.db2.gz CCOBUXJOFMMTKX-LSDHHAIUSA-N 2 2 302.378 0.126 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656456 752218882 /nfs/dbraw/zinc/21/88/82/752218882.db2.gz LIVFAYGNBXZHEF-BPLDGKMQSA-N 2 2 318.421 0.957 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656456 752218885 /nfs/dbraw/zinc/21/88/85/752218885.db2.gz LIVFAYGNBXZHEF-BPLDGKMQSA-N 2 2 318.421 0.957 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077683041 752294383 /nfs/dbraw/zinc/29/43/83/752294383.db2.gz WTXYSRXTAGJVPC-FVQBIDKESA-N 2 2 318.421 0.491 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077683041 752294387 /nfs/dbraw/zinc/29/43/87/752294387.db2.gz WTXYSRXTAGJVPC-FVQBIDKESA-N 2 2 318.421 0.491 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260372 750301110 /nfs/dbraw/zinc/30/11/10/750301110.db2.gz DKLXJFGJJVQMFV-APHBMKBZSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260372 750301117 /nfs/dbraw/zinc/30/11/17/750301117.db2.gz DKLXJFGJJVQMFV-APHBMKBZSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001077260372 750301123 /nfs/dbraw/zinc/30/11/23/750301123.db2.gz DKLXJFGJJVQMFV-APHBMKBZSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001077260372 750301126 /nfs/dbraw/zinc/30/11/26/750301126.db2.gz DKLXJFGJJVQMFV-APHBMKBZSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583482 750415504 /nfs/dbraw/zinc/41/55/04/750415504.db2.gz IFZRXUROLVHEDI-MJBXVCDLSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583482 750415507 /nfs/dbraw/zinc/41/55/07/750415507.db2.gz IFZRXUROLVHEDI-MJBXVCDLSA-N 2 2 304.394 0.183 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001106344744 751117259 /nfs/dbraw/zinc/11/72/59/751117259.db2.gz XVCZXDFYURGZNQ-RBSFLKMASA-N 2 2 300.406 0.763 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949586 752584704 /nfs/dbraw/zinc/58/47/04/752584704.db2.gz PPTLXBFDAUFTFG-AEFFLSMTSA-N 2 2 319.449 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949586 752584708 /nfs/dbraw/zinc/58/47/08/752584708.db2.gz PPTLXBFDAUFTFG-AEFFLSMTSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001089969034 753290025 /nfs/dbraw/zinc/29/00/25/753290025.db2.gz FOJFFFWLAQMECB-OAHLLOKOSA-N 2 2 316.405 0.504 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001089969034 753290028 /nfs/dbraw/zinc/29/00/28/753290028.db2.gz FOJFFFWLAQMECB-OAHLLOKOSA-N 2 2 316.405 0.504 20 30 DCEDLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064822 753458566 /nfs/dbraw/zinc/45/85/66/753458566.db2.gz VOZDXKZWHVTJSO-HZPDHXFCSA-N 2 2 319.453 0.070 20 30 DCEDLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064822 753458569 /nfs/dbraw/zinc/45/85/69/753458569.db2.gz VOZDXKZWHVTJSO-HZPDHXFCSA-N 2 2 319.453 0.070 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432455 753711960 /nfs/dbraw/zinc/71/19/60/753711960.db2.gz MMNNMGFPKNKHAK-INIZCTEOSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432455 753711965 /nfs/dbraw/zinc/71/19/65/753711965.db2.gz MMNNMGFPKNKHAK-INIZCTEOSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831312 753955891 /nfs/dbraw/zinc/95/58/91/753955891.db2.gz GSQNUXZQEKMGIZ-OAGGEKHMSA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831312 753955896 /nfs/dbraw/zinc/95/58/96/753955896.db2.gz GSQNUXZQEKMGIZ-OAGGEKHMSA-N 2 2 307.438 0.436 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@H]2C1 ZINC001048740127 754909215 /nfs/dbraw/zinc/90/92/15/754909215.db2.gz SJPIKDYVJPXXDB-HZSPNIEDSA-N 2 2 313.829 0.460 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@H]2C1 ZINC001048740127 754909220 /nfs/dbraw/zinc/90/92/20/754909220.db2.gz SJPIKDYVJPXXDB-HZSPNIEDSA-N 2 2 313.829 0.460 20 30 DCEDLP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740127 754909225 /nfs/dbraw/zinc/90/92/25/754909225.db2.gz SJPIKDYVJPXXDB-HZSPNIEDSA-N 2 2 313.829 0.460 20 30 DCEDLP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@H]2C1 ZINC001048740127 754909231 /nfs/dbraw/zinc/90/92/31/754909231.db2.gz SJPIKDYVJPXXDB-HZSPNIEDSA-N 2 2 313.829 0.460 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001090279469 754931591 /nfs/dbraw/zinc/93/15/91/754931591.db2.gz LRNJEVXPMSYHRK-GJZGRUSLSA-N 2 2 318.421 0.499 20 30 DCEDLP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](O)C1 ZINC001090279469 754931595 /nfs/dbraw/zinc/93/15/95/754931595.db2.gz LRNJEVXPMSYHRK-GJZGRUSLSA-N 2 2 318.421 0.499 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108182401 754946875 /nfs/dbraw/zinc/94/68/75/754946875.db2.gz GYEAXKCZYWNQOG-KRWDZBQOSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108182401 754946879 /nfs/dbraw/zinc/94/68/79/754946879.db2.gz GYEAXKCZYWNQOG-KRWDZBQOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC001053906365 756270837 /nfs/dbraw/zinc/27/08/37/756270837.db2.gz XMKJVHGACFGWIP-HRCADAONSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC001053906365 756270839 /nfs/dbraw/zinc/27/08/39/756270839.db2.gz XMKJVHGACFGWIP-HRCADAONSA-N 2 2 319.449 0.700 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080270 757479515 /nfs/dbraw/zinc/47/95/15/757479515.db2.gz KNKYTCBLFRROPQ-YESZJQIVSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080270 757479521 /nfs/dbraw/zinc/47/95/21/757479521.db2.gz KNKYTCBLFRROPQ-YESZJQIVSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080270 757479525 /nfs/dbraw/zinc/47/95/25/757479525.db2.gz KNKYTCBLFRROPQ-YESZJQIVSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083080270 757479532 /nfs/dbraw/zinc/47/95/32/757479532.db2.gz KNKYTCBLFRROPQ-YESZJQIVSA-N 2 2 319.449 0.794 20 30 DCEDLP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052045131 759138797 /nfs/dbraw/zinc/13/87/97/759138797.db2.gz QBKYOGGFJSNQPG-IAGOWNOFSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052045131 759138801 /nfs/dbraw/zinc/13/88/01/759138801.db2.gz QBKYOGGFJSNQPG-IAGOWNOFSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052045131 759138805 /nfs/dbraw/zinc/13/88/05/759138805.db2.gz QBKYOGGFJSNQPG-IAGOWNOFSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052045131 759138808 /nfs/dbraw/zinc/13/88/08/759138808.db2.gz QBKYOGGFJSNQPG-IAGOWNOFSA-N 2 2 320.481 0.875 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108437486 760560545 /nfs/dbraw/zinc/56/05/45/760560545.db2.gz MIEOJJRXRFZFRR-KRWDZBQOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108437486 760560549 /nfs/dbraw/zinc/56/05/49/760560549.db2.gz MIEOJJRXRFZFRR-KRWDZBQOSA-N 2 2 318.421 0.894 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902954 760949641 /nfs/dbraw/zinc/94/96/41/760949641.db2.gz WYBAZBWXBRBTFY-ILXRZTDVSA-N 2 2 318.425 0.290 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001069902954 760949646 /nfs/dbraw/zinc/94/96/46/760949646.db2.gz WYBAZBWXBRBTFY-ILXRZTDVSA-N 2 2 318.425 0.290 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902954 760949649 /nfs/dbraw/zinc/94/96/49/760949649.db2.gz WYBAZBWXBRBTFY-ILXRZTDVSA-N 2 2 318.425 0.290 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001069902954 760949652 /nfs/dbraw/zinc/94/96/52/760949652.db2.gz WYBAZBWXBRBTFY-ILXRZTDVSA-N 2 2 318.425 0.290 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123694273 768045475 /nfs/dbraw/zinc/04/54/75/768045475.db2.gz JCBPQDGGQBUXDC-HOCLYGCPSA-N 2 2 321.469 0.018 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123694273 768045481 /nfs/dbraw/zinc/04/54/81/768045481.db2.gz JCBPQDGGQBUXDC-HOCLYGCPSA-N 2 2 321.469 0.018 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001129771457 763009079 /nfs/dbraw/zinc/00/90/79/763009079.db2.gz XYGJYHTXBXBZJL-HOCLYGCPSA-N 2 2 315.421 0.649 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cnc(C)cn1 ZINC001129771457 763009086 /nfs/dbraw/zinc/00/90/86/763009086.db2.gz XYGJYHTXBXBZJL-HOCLYGCPSA-N 2 2 315.421 0.649 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099803981 763050924 /nfs/dbraw/zinc/05/09/24/763050924.db2.gz GGCNNMFUALYIKC-KGLIPLIRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099803981 763050928 /nfs/dbraw/zinc/05/09/28/763050928.db2.gz GGCNNMFUALYIKC-KGLIPLIRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063688 763270780 /nfs/dbraw/zinc/27/07/80/763270780.db2.gz BGDSNAPPRLPLAJ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100063688 763270785 /nfs/dbraw/zinc/27/07/85/763270785.db2.gz BGDSNAPPRLPLAJ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063688 763270790 /nfs/dbraw/zinc/27/07/90/763270790.db2.gz BGDSNAPPRLPLAJ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063688 763270796 /nfs/dbraw/zinc/27/07/96/763270796.db2.gz BGDSNAPPRLPLAJ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458156 763588992 /nfs/dbraw/zinc/58/89/92/763588992.db2.gz QEBODPYWFOPTHX-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135505 764840638 /nfs/dbraw/zinc/84/06/38/764840638.db2.gz SOCYRFBWRBIIJF-CABCVRRESA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227411 765424822 /nfs/dbraw/zinc/42/48/22/765424822.db2.gz GQUDLMRYOQLIMB-UONOGXRCSA-N 2 2 306.410 0.865 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135131921 765807629 /nfs/dbraw/zinc/80/76/29/765807629.db2.gz MUGYDKBKRAIFNY-KBPBESRZSA-N 2 2 321.425 0.448 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730292 766526987 /nfs/dbraw/zinc/52/69/87/766526987.db2.gz JKQRMIBJBTXGKW-STQMWFEESA-N 2 2 313.829 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730292 766526991 /nfs/dbraw/zinc/52/69/91/766526991.db2.gz JKQRMIBJBTXGKW-STQMWFEESA-N 2 2 313.829 0.386 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)nn2)C1 ZINC001094316095 768967816 /nfs/dbraw/zinc/96/78/16/768967816.db2.gz FOYUUAGVCDTRIG-DOMZBBRYSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)nn2)C1 ZINC001094316095 768967820 /nfs/dbraw/zinc/96/78/20/768967820.db2.gz FOYUUAGVCDTRIG-DOMZBBRYSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)nn2)C1 ZINC001094316097 768968979 /nfs/dbraw/zinc/96/89/79/768968979.db2.gz FOYUUAGVCDTRIG-SWLSCSKDSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001094316097 768968983 /nfs/dbraw/zinc/96/89/83/768968983.db2.gz FOYUUAGVCDTRIG-SWLSCSKDSA-N 2 2 318.425 0.135 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379145 769078296 /nfs/dbraw/zinc/07/82/96/769078296.db2.gz ACDGLNZGOKEXNL-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001150379145 769078306 /nfs/dbraw/zinc/07/83/06/769078306.db2.gz ACDGLNZGOKEXNL-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595510 769134151 /nfs/dbraw/zinc/13/41/51/769134151.db2.gz APPRGQASSAWHHS-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595510 769134159 /nfs/dbraw/zinc/13/41/59/769134159.db2.gz APPRGQASSAWHHS-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001154476913 770193028 /nfs/dbraw/zinc/19/30/28/770193028.db2.gz BSIMKLPATSDYKO-NVXWUHKLSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC001154476913 770193033 /nfs/dbraw/zinc/19/30/33/770193033.db2.gz BSIMKLPATSDYKO-NVXWUHKLSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001154476913 770193037 /nfs/dbraw/zinc/19/30/37/770193037.db2.gz BSIMKLPATSDYKO-NVXWUHKLSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001154476913 770193041 /nfs/dbraw/zinc/19/30/41/770193041.db2.gz BSIMKLPATSDYKO-NVXWUHKLSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414225 770749305 /nfs/dbraw/zinc/74/93/05/770749305.db2.gz HBJQQBVEGMDSCN-KKUMJFAQSA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414225 770749310 /nfs/dbraw/zinc/74/93/10/770749310.db2.gz HBJQQBVEGMDSCN-KKUMJFAQSA-N 2 2 311.426 0.099 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832039 771966177 /nfs/dbraw/zinc/96/61/77/771966177.db2.gz AUXLDODIUDDNQN-XEZPLFJOSA-N 2 2 318.446 0.917 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832039 771966179 /nfs/dbraw/zinc/96/61/79/771966179.db2.gz AUXLDODIUDDNQN-XEZPLFJOSA-N 2 2 318.446 0.917 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC12CCOCC2 ZINC001186569034 772056641 /nfs/dbraw/zinc/05/66/41/772056641.db2.gz GJYNRQYPVBJIJL-HNNXBMFYSA-N 2 2 316.405 0.361 20 30 DCEDLP COC(=O)[C@]1([NH3+])CCN(C(=O)C[C@@H]([NH3+])c2ccc(C#N)cc2)C1 ZINC001161138684 772173639 /nfs/dbraw/zinc/17/36/39/772173639.db2.gz DFTNBBUDQYTVCU-CJNGLKHVSA-N 2 2 316.361 0.051 20 30 DCEDLP C[NH+]1CCN(c2nccc(NC3(C#N)CC[NH+](C)CC3)n2)CC1 ZINC001162230652 772345479 /nfs/dbraw/zinc/34/54/79/772345479.db2.gz BXQCNUWWDOMIMP-UHFFFAOYSA-N 2 2 315.425 0.628 20 30 DCEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001110417096 772522690 /nfs/dbraw/zinc/52/26/90/772522690.db2.gz JSFYLFNEPMCZLX-LVQVYYBASA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001110417096 772522693 /nfs/dbraw/zinc/52/26/93/772522693.db2.gz JSFYLFNEPMCZLX-LVQVYYBASA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001110417096 772522695 /nfs/dbraw/zinc/52/26/95/772522695.db2.gz JSFYLFNEPMCZLX-LVQVYYBASA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001110417096 772522699 /nfs/dbraw/zinc/52/26/99/772522699.db2.gz JSFYLFNEPMCZLX-LVQVYYBASA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CCn2cc[nH+]c2)C1=O ZINC001163593594 772544735 /nfs/dbraw/zinc/54/47/35/772544735.db2.gz MGXXOQNMOPCUIQ-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875126 772549495 /nfs/dbraw/zinc/54/94/95/772549495.db2.gz UNTKQMLSJXSSIH-CQSZACIVSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189875126 772549497 /nfs/dbraw/zinc/54/94/97/772549497.db2.gz UNTKQMLSJXSSIH-CQSZACIVSA-N 2 2 304.394 0.525 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001205555694 773000872 /nfs/dbraw/zinc/00/08/72/773000872.db2.gz DMKUVWXJLLUYAZ-OAHLLOKOSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CC[NH+](CC=C)CCN1CC[NH+](CCN2CCOCC2)CC1 ZINC001209293819 773586612 /nfs/dbraw/zinc/58/66/12/773586612.db2.gz QNKUCJSDBOPGKR-UHFFFAOYSA-N 2 2 322.497 0.610 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210602752 773723925 /nfs/dbraw/zinc/72/39/25/773723925.db2.gz CQTJEIMBXKBFJB-IUODEOHRSA-N 2 2 304.394 0.347 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210602752 773723927 /nfs/dbraw/zinc/72/39/27/773723927.db2.gz CQTJEIMBXKBFJB-IUODEOHRSA-N 2 2 304.394 0.347 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241900 773821517 /nfs/dbraw/zinc/82/15/17/773821517.db2.gz TXWRNHHFBHGLRV-HUUCEWRRSA-N 2 2 322.409 0.291 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213241900 773821521 /nfs/dbraw/zinc/82/15/21/773821521.db2.gz TXWRNHHFBHGLRV-HUUCEWRRSA-N 2 2 322.409 0.291 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199377814 774100059 /nfs/dbraw/zinc/10/00/59/774100059.db2.gz NZIZQFPFQPZLBE-HZPDHXFCSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199377814 774100060 /nfs/dbraw/zinc/10/00/60/774100060.db2.gz NZIZQFPFQPZLBE-HZPDHXFCSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199377814 774100062 /nfs/dbraw/zinc/10/00/62/774100062.db2.gz NZIZQFPFQPZLBE-HZPDHXFCSA-N 2 2 303.406 0.466 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199377814 774100064 /nfs/dbraw/zinc/10/00/64/774100064.db2.gz NZIZQFPFQPZLBE-HZPDHXFCSA-N 2 2 303.406 0.466 20 30 DCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nc2ncccc2cc1C#N ZINC001218540942 774241946 /nfs/dbraw/zinc/24/19/46/774241946.db2.gz CGMHTZWPUGGNIC-ZDUSSCGKSA-N 2 2 321.344 0.743 20 30 DCEDLP COC(=O)c1scc(C#N)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218605131 774261184 /nfs/dbraw/zinc/26/11/84/774261184.db2.gz NAFIEVABENASRH-UHFFFAOYSA-N 2 2 308.363 0.426 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC001200832547 774414484 /nfs/dbraw/zinc/41/44/84/774414484.db2.gz WMZHQFHQOFGHRB-GDBMZVCRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201439458 774514914 /nfs/dbraw/zinc/51/49/14/774514914.db2.gz VSPDPKBBCCGISC-RBSFLKMASA-N 2 2 318.421 0.917 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201483071 774520822 /nfs/dbraw/zinc/52/08/22/774520822.db2.gz KPZAMATZIOYPKZ-OAHLLOKOSA-N 2 2 322.409 0.362 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774719 774603831 /nfs/dbraw/zinc/60/38/31/774603831.db2.gz ZOLCOLWJNBLAIQ-YUELXQCFSA-N 2 2 306.410 0.858 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774719 774603833 /nfs/dbraw/zinc/60/38/33/774603833.db2.gz ZOLCOLWJNBLAIQ-YUELXQCFSA-N 2 2 306.410 0.858 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774719 774603835 /nfs/dbraw/zinc/60/38/35/774603835.db2.gz ZOLCOLWJNBLAIQ-YUELXQCFSA-N 2 2 306.410 0.858 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774719 774603836 /nfs/dbraw/zinc/60/38/36/774603836.db2.gz ZOLCOLWJNBLAIQ-YUELXQCFSA-N 2 2 306.410 0.858 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202218209 774618061 /nfs/dbraw/zinc/61/80/61/774618061.db2.gz WFCVHUXXJWSNIG-OAHLLOKOSA-N 2 2 322.409 0.293 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC/C=C\CC)C[C@@H]1O ZINC001219821537 774619590 /nfs/dbraw/zinc/61/95/90/774619590.db2.gz PYAQZEUVUVFNHI-FTOHCMMFSA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@@H]1O ZINC001219821537 774619594 /nfs/dbraw/zinc/61/95/94/774619594.db2.gz PYAQZEUVUVFNHI-FTOHCMMFSA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CC)C[C@@H]1O ZINC001219821537 774619597 /nfs/dbraw/zinc/61/95/97/774619597.db2.gz PYAQZEUVUVFNHI-FTOHCMMFSA-N 2 2 319.449 0.602 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC/C=C\CC)C[C@@H]1O ZINC001219821537 774619601 /nfs/dbraw/zinc/61/96/01/774619601.db2.gz PYAQZEUVUVFNHI-FTOHCMMFSA-N 2 2 319.449 0.602 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441472 774809652 /nfs/dbraw/zinc/80/96/52/774809652.db2.gz CZLYAUWYMRSEFV-ZNMIVQPWSA-N 2 2 322.409 0.198 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441472 774809664 /nfs/dbraw/zinc/80/96/64/774809664.db2.gz CZLYAUWYMRSEFV-ZNMIVQPWSA-N 2 2 322.409 0.198 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110876655 775071971 /nfs/dbraw/zinc/07/19/71/775071971.db2.gz SBJGYTRGKBMNGO-OAGGEKHMSA-N 2 2 316.405 0.645 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110876655 775071977 /nfs/dbraw/zinc/07/19/77/775071977.db2.gz SBJGYTRGKBMNGO-OAGGEKHMSA-N 2 2 316.405 0.645 20 30 DCEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001278206233 945179805 /nfs/dbraw/zinc/17/98/05/945179805.db2.gz JILOJDCUCITYIC-HNNXBMFYSA-N 2 2 318.421 0.844 20 30 DCEDLP C#CCN1CC[NH+](CCCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001266277875 939042067 /nfs/dbraw/zinc/04/20/67/939042067.db2.gz UGGGRNOCPIQPDX-UHFFFAOYSA-N 2 2 317.437 0.420 20 30 DCEDLP N#CCN1CC[NH+](CCNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001266298632 939058554 /nfs/dbraw/zinc/05/85/54/939058554.db2.gz HATHHEPSGOSAIF-UHFFFAOYSA-N 2 2 321.469 0.510 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266348045 939087565 /nfs/dbraw/zinc/08/75/65/939087565.db2.gz VBBJIVGJIIGDHX-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266348045 939087568 /nfs/dbraw/zinc/08/75/68/939087568.db2.gz VBBJIVGJIIGDHX-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317987544 945231745 /nfs/dbraw/zinc/23/17/45/945231745.db2.gz KRWBCPKVHQOKMG-GOEBONIOSA-N 2 2 324.469 0.455 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317987544 945231755 /nfs/dbraw/zinc/23/17/55/945231755.db2.gz KRWBCPKVHQOKMG-GOEBONIOSA-N 2 2 324.469 0.455 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266947726 939286437 /nfs/dbraw/zinc/28/64/37/939286437.db2.gz CVHOTOPPGJTUPI-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001480926321 939396039 /nfs/dbraw/zinc/39/60/39/939396039.db2.gz OLRUNBOWVLZWKT-UHFFFAOYSA-N 2 2 306.410 0.670 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001480926321 939396044 /nfs/dbraw/zinc/39/60/44/939396044.db2.gz OLRUNBOWVLZWKT-UHFFFAOYSA-N 2 2 306.410 0.670 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001481473581 939887586 /nfs/dbraw/zinc/88/75/86/939887586.db2.gz DDRYHQGIIIGKRQ-UHFFFAOYSA-N 2 2 319.453 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1conc1C ZINC001268238562 940001578 /nfs/dbraw/zinc/00/15/78/940001578.db2.gz IBRYOJFGTZPSPT-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1conc1C ZINC001268238562 940001581 /nfs/dbraw/zinc/00/15/81/940001581.db2.gz IBRYOJFGTZPSPT-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1conc1C ZINC001268238562 940001582 /nfs/dbraw/zinc/00/15/82/940001582.db2.gz IBRYOJFGTZPSPT-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1conc1C ZINC001268238562 940001587 /nfs/dbraw/zinc/00/15/87/940001587.db2.gz IBRYOJFGTZPSPT-INIZCTEOSA-N 2 2 318.421 0.971 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOCC=C)C1 ZINC001318411717 945354559 /nfs/dbraw/zinc/35/45/59/945354559.db2.gz FGGPOGSYECIRTK-SJORKVTESA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOCC=C)C1 ZINC001318411717 945354568 /nfs/dbraw/zinc/35/45/68/945354568.db2.gz FGGPOGSYECIRTK-SJORKVTESA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOCC=C)C1 ZINC001318411717 945354578 /nfs/dbraw/zinc/35/45/78/945354578.db2.gz FGGPOGSYECIRTK-SJORKVTESA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOCC=C)C1 ZINC001318411717 945354582 /nfs/dbraw/zinc/35/45/82/945354582.db2.gz FGGPOGSYECIRTK-SJORKVTESA-N 2 2 319.449 0.819 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271120268 941268634 /nfs/dbraw/zinc/26/86/34/941268634.db2.gz GVLUZHASXXAHTE-VXGBXAGGSA-N 2 2 307.398 0.079 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001271530600 941395641 /nfs/dbraw/zinc/39/56/41/941395641.db2.gz IZTHVLGUQMUJPG-KGLIPLIRSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001483250861 942206549 /nfs/dbraw/zinc/20/65/49/942206549.db2.gz AMPXEHPYWKHYGY-ZNMIVQPWSA-N 2 2 311.426 0.147 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483650674 942624425 /nfs/dbraw/zinc/62/44/25/942624425.db2.gz HSWRQXQZDFQGLZ-HOTGVXAUSA-N 2 2 305.422 0.169 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483650674 942624429 /nfs/dbraw/zinc/62/44/29/942624429.db2.gz HSWRQXQZDFQGLZ-HOTGVXAUSA-N 2 2 305.422 0.169 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001483746915 942849662 /nfs/dbraw/zinc/84/96/62/942849662.db2.gz CJZQYFLELMXDDS-CQSZACIVSA-N 2 2 316.405 0.334 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001484069033 943136592 /nfs/dbraw/zinc/13/65/92/943136592.db2.gz ZFRFRWWJQBIDKA-KRWDZBQOSA-N 2 2 318.421 0.583 20 30 DCEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001484069033 943136597 /nfs/dbraw/zinc/13/65/97/943136597.db2.gz ZFRFRWWJQBIDKA-KRWDZBQOSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001484695578 943525654 /nfs/dbraw/zinc/52/56/54/943525654.db2.gz GPSQIOAQGVUXPR-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001491059797 943727269 /nfs/dbraw/zinc/72/72/69/943727269.db2.gz AJJXXYHPRDDJKD-MELADBBJSA-N 2 2 319.409 0.373 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001491133171 943777948 /nfs/dbraw/zinc/77/79/48/943777948.db2.gz KBSHWPGTCRXMHV-HNNXBMFYSA-N 2 2 304.394 0.361 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001491133171 943777956 /nfs/dbraw/zinc/77/79/56/943777956.db2.gz KBSHWPGTCRXMHV-HNNXBMFYSA-N 2 2 304.394 0.361 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001485647038 944062594 /nfs/dbraw/zinc/06/25/94/944062594.db2.gz OGYMDJRJMRBUSQ-UONOGXRCSA-N 2 2 318.421 0.916 20 30 DCEDLP C=C(C)CN1C[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272809430 944242509 /nfs/dbraw/zinc/24/25/09/944242509.db2.gz VYADJGIWGLDJBW-KRWDZBQOSA-N 2 2 316.405 0.874 20 30 DCEDLP C=C(C)CN1C[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272809430 944242517 /nfs/dbraw/zinc/24/25/17/944242517.db2.gz VYADJGIWGLDJBW-KRWDZBQOSA-N 2 2 316.405 0.874 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210329330 944261729 /nfs/dbraw/zinc/26/17/29/944261729.db2.gz URKRAMKAWPPTTK-CHWSQXEVSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001276909256 944589024 /nfs/dbraw/zinc/58/90/24/944589024.db2.gz PMBBRGDOWQSGMZ-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001276909256 944589032 /nfs/dbraw/zinc/58/90/32/944589032.db2.gz PMBBRGDOWQSGMZ-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001486284519 944697996 /nfs/dbraw/zinc/69/79/96/944697996.db2.gz IOYCAJCXANHQCC-CQSZACIVSA-N 2 2 307.394 0.618 20 30 DCEDLP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317442126 944971591 /nfs/dbraw/zinc/97/15/91/944971591.db2.gz XQRMPGBCLPWVDO-KRWDZBQOSA-N 2 2 315.417 0.417 20 30 DCEDLP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001317442126 944971597 /nfs/dbraw/zinc/97/15/97/944971597.db2.gz XQRMPGBCLPWVDO-KRWDZBQOSA-N 2 2 315.417 0.417 20 30 DCEDLP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001317442126 944971600 /nfs/dbraw/zinc/97/16/00/944971600.db2.gz XQRMPGBCLPWVDO-KRWDZBQOSA-N 2 2 315.417 0.417 20 30 DCEDLP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001317442126 944971605 /nfs/dbraw/zinc/97/16/05/944971605.db2.gz XQRMPGBCLPWVDO-KRWDZBQOSA-N 2 2 315.417 0.417 20 30 DCEDLP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318492634 945385628 /nfs/dbraw/zinc/38/56/28/945385628.db2.gz SFNMVZPYFKQPJR-INIZCTEOSA-N 2 2 318.421 0.764 20 30 DCEDLP CCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318492634 945385639 /nfs/dbraw/zinc/38/56/39/945385639.db2.gz SFNMVZPYFKQPJR-INIZCTEOSA-N 2 2 318.421 0.764 20 30 DCEDLP C=CCOCc1nn([C@@H]2C[NH2+][C@H](C(=O)OC)C2)c2c1C[NH2+]C2 ZINC001246701366 945464852 /nfs/dbraw/zinc/46/48/52/945464852.db2.gz MAWWNPNPVGAUNA-JQWIXIFHSA-N 2 2 306.366 0.265 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001319329728 945563095 /nfs/dbraw/zinc/56/30/95/945563095.db2.gz GLWZQKBHDMBMBG-HNNXBMFYSA-N 2 2 323.437 0.102 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001319329728 945563102 /nfs/dbraw/zinc/56/31/02/945563102.db2.gz GLWZQKBHDMBMBG-HNNXBMFYSA-N 2 2 323.437 0.102 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC3CCOCC3)cn2)CC1 ZINC001319589085 945626649 /nfs/dbraw/zinc/62/66/49/945626649.db2.gz YCQPHDQNUHESJJ-UHFFFAOYSA-N 2 2 318.425 0.579 20 30 DCEDLP COC(=O)[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001252444996 945931105 /nfs/dbraw/zinc/93/11/05/945931105.db2.gz PIQUPEFCEBSWIF-INIZCTEOSA-N 2 2 317.389 0.646 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001322300149 946643449 /nfs/dbraw/zinc/64/34/49/946643449.db2.gz ZNIIKKKPKQVBAA-QWHCGFSZSA-N 2 2 321.425 0.319 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001324097191 947313358 /nfs/dbraw/zinc/31/33/58/947313358.db2.gz IDOLYXVCTSLQGF-UKRRQHHQSA-N 2 2 318.421 0.880 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615313 947682383 /nfs/dbraw/zinc/68/23/83/947682383.db2.gz GIMCDEOVOXZNKA-HUUCEWRRSA-N 2 2 318.421 0.581 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615313 947682386 /nfs/dbraw/zinc/68/23/86/947682386.db2.gz GIMCDEOVOXZNKA-HUUCEWRRSA-N 2 2 318.421 0.581 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325450990 947798778 /nfs/dbraw/zinc/79/87/78/947798778.db2.gz TUBKQAFVRJQAAC-UONOGXRCSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CC[NH2+]CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC001263103023 947808151 /nfs/dbraw/zinc/80/81/51/947808151.db2.gz LLWIXBRLBSPOSJ-UHFFFAOYSA-N 2 2 300.406 0.148 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273885802 948655494 /nfs/dbraw/zinc/65/54/94/948655494.db2.gz SBDVGLQRYOLVQB-GDBMZVCRSA-N 2 2 304.394 0.354 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273885802 948655499 /nfs/dbraw/zinc/65/54/99/948655499.db2.gz SBDVGLQRYOLVQB-GDBMZVCRSA-N 2 2 304.394 0.354 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001273884958 948659232 /nfs/dbraw/zinc/65/92/32/948659232.db2.gz MDFFWFDZFOXWFJ-KRWDZBQOSA-N 2 2 319.405 0.762 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC=C)CC1 ZINC001265259692 949506898 /nfs/dbraw/zinc/50/68/98/949506898.db2.gz ISNDZYLRFRKKMV-INIZCTEOSA-N 2 2 304.438 0.004 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC=C)CC1 ZINC001265259692 949506915 /nfs/dbraw/zinc/50/69/15/949506915.db2.gz ISNDZYLRFRKKMV-INIZCTEOSA-N 2 2 304.438 0.004 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265290552 949556486 /nfs/dbraw/zinc/55/64/86/949556486.db2.gz QZSAQLAMCOLYCF-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265290552 949556505 /nfs/dbraw/zinc/55/65/05/949556505.db2.gz QZSAQLAMCOLYCF-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329473976 949624384 /nfs/dbraw/zinc/62/43/84/949624384.db2.gz GHSAJCYHDDSAQM-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329473976 949624390 /nfs/dbraw/zinc/62/43/90/949624390.db2.gz GHSAJCYHDDSAQM-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329525645 949664052 /nfs/dbraw/zinc/66/40/52/949664052.db2.gz XMFWGRRLBXWMPR-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001329525645 949664064 /nfs/dbraw/zinc/66/40/64/949664064.db2.gz XMFWGRRLBXWMPR-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001329525645 949664076 /nfs/dbraw/zinc/66/40/76/949664076.db2.gz XMFWGRRLBXWMPR-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001329525645 949664088 /nfs/dbraw/zinc/66/40/88/949664088.db2.gz XMFWGRRLBXWMPR-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266071694 950326479 /nfs/dbraw/zinc/32/64/79/950326479.db2.gz PUCIYFAFUARCRL-KBPBESRZSA-N 2 2 304.394 0.619 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001280596804 950975656 /nfs/dbraw/zinc/97/56/56/950975656.db2.gz UFNJPVQZSUDQLE-BFHYXJOUSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001280596804 950975671 /nfs/dbraw/zinc/97/56/71/950975671.db2.gz UFNJPVQZSUDQLE-BFHYXJOUSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001280600602 950976727 /nfs/dbraw/zinc/97/67/27/950976727.db2.gz HQFRVQSVKOYISR-KBPBESRZSA-N 2 2 304.394 0.449 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316604930 951024627 /nfs/dbraw/zinc/02/46/27/951024627.db2.gz MWDJOUYEOQQSGS-HZPDHXFCSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001316604930 951024642 /nfs/dbraw/zinc/02/46/42/951024642.db2.gz MWDJOUYEOQQSGS-HZPDHXFCSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001316604930 951024657 /nfs/dbraw/zinc/02/46/57/951024657.db2.gz MWDJOUYEOQQSGS-HZPDHXFCSA-N 2 2 307.438 0.511 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001281254249 951413481 /nfs/dbraw/zinc/41/34/81/951413481.db2.gz UQJMDBCLYGGPIK-ZIAGYGMSSA-N 2 2 316.405 0.792 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001281254249 951413489 /nfs/dbraw/zinc/41/34/89/951413489.db2.gz UQJMDBCLYGGPIK-ZIAGYGMSSA-N 2 2 316.405 0.792 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001332647294 951742378 /nfs/dbraw/zinc/74/23/78/951742378.db2.gz JFNGJXSGLJMUKD-CQSZACIVSA-N 2 2 306.410 0.127 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001332647294 951742383 /nfs/dbraw/zinc/74/23/83/951742383.db2.gz JFNGJXSGLJMUKD-CQSZACIVSA-N 2 2 306.410 0.127 20 30 DCEDLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)[nH]n1 ZINC001333086421 951912273 /nfs/dbraw/zinc/91/22/73/951912273.db2.gz PNYWWSMTJFFFMV-CQSZACIVSA-N 2 2 316.409 0.894 20 30 DCEDLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)[nH]n1 ZINC001333086421 951912278 /nfs/dbraw/zinc/91/22/78/951912278.db2.gz PNYWWSMTJFFFMV-CQSZACIVSA-N 2 2 316.409 0.894 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC001275027494 951933346 /nfs/dbraw/zinc/93/33/46/951933346.db2.gz LREBRPASPAEYQO-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC001275027494 951933357 /nfs/dbraw/zinc/93/33/57/951933357.db2.gz LREBRPASPAEYQO-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001275035008 951937849 /nfs/dbraw/zinc/93/78/49/951937849.db2.gz VTORPKHVSOEDKD-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)C[C@@H]21 ZINC001275035008 951937853 /nfs/dbraw/zinc/93/78/53/951937853.db2.gz VTORPKHVSOEDKD-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335425912 952534524 /nfs/dbraw/zinc/53/45/24/952534524.db2.gz JTXLTUZBVRZAGU-QGZVFWFLSA-N 2 2 303.406 0.515 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335425912 952534529 /nfs/dbraw/zinc/53/45/29/952534529.db2.gz JTXLTUZBVRZAGU-QGZVFWFLSA-N 2 2 303.406 0.515 20 30 DCEDLP C#CC[NH2+]CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001339880800 953126722 /nfs/dbraw/zinc/12/67/22/953126722.db2.gz YIGOZPGFBNZBHO-UHFFFAOYSA-N 2 2 301.390 0.432 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001340789078 953195423 /nfs/dbraw/zinc/19/54/23/953195423.db2.gz UFRABXWBAPAMPD-INIZCTEOSA-N 2 2 308.470 0.908 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001283689903 954536926 /nfs/dbraw/zinc/53/69/26/954536926.db2.gz FKNZPILQIAIQQM-QWHCGFSZSA-N 2 2 319.409 0.176 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284875962 955282269 /nfs/dbraw/zinc/28/22/69/955282269.db2.gz IDFDUUNNFOKZEY-ZIAGYGMSSA-N 2 2 304.394 0.221 20 30 DCEDLP N#Cc1cccc(C[NH2+][C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001369360011 964821200 /nfs/dbraw/zinc/82/12/00/964821200.db2.gz CAUWBYXXCHUWCW-CQSZACIVSA-N 2 2 313.361 0.091 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001502878365 1016114727 /nfs/dbraw/zinc/11/47/27/1016114727.db2.gz KFRXITKHBNCUED-UHFFFAOYSA-N 2 2 318.421 0.319 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001502894377 1016120909 /nfs/dbraw/zinc/12/09/09/1016120909.db2.gz LVLKYDKJJDJYLQ-UHFFFAOYSA-N 2 2 304.394 0.227 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001507329589 1016257808 /nfs/dbraw/zinc/25/78/08/1016257808.db2.gz WDNNFNVPYHEFPC-CABCVRRESA-N 2 2 318.421 0.582 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507726945 1016551960 /nfs/dbraw/zinc/55/19/60/1016551960.db2.gz OFAREYKTRQJCJW-ZDUSSCGKSA-N 2 2 303.834 0.586 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001507726945 1016551971 /nfs/dbraw/zinc/55/19/71/1016551971.db2.gz OFAREYKTRQJCJW-ZDUSSCGKSA-N 2 2 303.834 0.586 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001407646700 1004785077 /nfs/dbraw/zinc/78/50/77/1004785077.db2.gz WJZUJDUTJLVBGS-HIFRSBDPSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001407646700 1004785082 /nfs/dbraw/zinc/78/50/82/1004785082.db2.gz WJZUJDUTJLVBGS-HIFRSBDPSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001407646700 1004785087 /nfs/dbraw/zinc/78/50/87/1004785087.db2.gz WJZUJDUTJLVBGS-HIFRSBDPSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001407646700 1004785091 /nfs/dbraw/zinc/78/50/91/1004785091.db2.gz WJZUJDUTJLVBGS-HIFRSBDPSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001424235991 1012212904 /nfs/dbraw/zinc/21/29/04/1012212904.db2.gz IHOIMIYICYTHDE-ZDUSSCGKSA-N 2 2 312.801 0.843 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001574857738 1163774330 /nfs/dbraw/zinc/77/43/30/1163774330.db2.gz YIIBGQDBKJJDNW-LLVKDONJSA-N 2 2 303.790 0.021 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001479537686 1017581298 /nfs/dbraw/zinc/58/12/98/1017581298.db2.gz XZZAZZACELKZCH-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OCC ZINC001479537686 1017581284 /nfs/dbraw/zinc/58/12/84/1017581284.db2.gz XZZAZZACELKZCH-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001506839262 1017600771 /nfs/dbraw/zinc/60/07/71/1017600771.db2.gz NIYRRXRTZYDHLR-KGLIPLIRSA-N 2 2 306.410 0.744 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001499838721 1018097969 /nfs/dbraw/zinc/09/79/69/1018097969.db2.gz DWGRZYKANCZJEB-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500619940 1018512338 /nfs/dbraw/zinc/51/23/38/1018512338.db2.gz DKHNOSWXACSDFR-CYBMUJFWSA-N 2 2 310.348 0.980 20 30 DCEDLP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500619940 1018512345 /nfs/dbraw/zinc/51/23/45/1018512345.db2.gz DKHNOSWXACSDFR-CYBMUJFWSA-N 2 2 310.348 0.980 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccs1 ZINC001480479437 1018577873 /nfs/dbraw/zinc/57/78/73/1018577873.db2.gz ICPXYWPVMCXISM-OLZOCXBDSA-N 2 2 306.435 0.835 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nccs1 ZINC001480479437 1018577880 /nfs/dbraw/zinc/57/78/80/1018577880.db2.gz ICPXYWPVMCXISM-OLZOCXBDSA-N 2 2 306.435 0.835 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498062449 1018623866 /nfs/dbraw/zinc/62/38/66/1018623866.db2.gz ITXXWDRCBVUGHA-UONOGXRCSA-N 2 2 304.394 0.190 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480579783 1018679039 /nfs/dbraw/zinc/67/90/39/1018679039.db2.gz ONFYZGBOMJPFOG-ZYHUDNBSSA-N 2 2 307.398 0.046 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001493150018 1019143729 /nfs/dbraw/zinc/14/37/29/1019143729.db2.gz YVGHXTBZJOOHRN-KRWDZBQOSA-N 2 2 321.465 0.949 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001493150018 1019143736 /nfs/dbraw/zinc/14/37/36/1019143736.db2.gz YVGHXTBZJOOHRN-KRWDZBQOSA-N 2 2 321.465 0.949 20 30 DCEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001493401853 1019396353 /nfs/dbraw/zinc/39/63/53/1019396353.db2.gz OCSUUNYGZRZROM-HNNXBMFYSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001493401853 1019396363 /nfs/dbraw/zinc/39/63/63/1019396363.db2.gz OCSUUNYGZRZROM-HNNXBMFYSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001493401853 1019396378 /nfs/dbraw/zinc/39/63/78/1019396378.db2.gz OCSUUNYGZRZROM-HNNXBMFYSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001493401853 1019396388 /nfs/dbraw/zinc/39/63/88/1019396388.db2.gz OCSUUNYGZRZROM-HNNXBMFYSA-N 2 2 322.453 0.354 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001499006734 1019640637 /nfs/dbraw/zinc/64/06/37/1019640637.db2.gz YBEUIMFFWVWOSI-HNNXBMFYSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001499006734 1019640641 /nfs/dbraw/zinc/64/06/41/1019640641.db2.gz YBEUIMFFWVWOSI-HNNXBMFYSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H]2CNC(=O)C[N@@H+](C)CCC)C1=O ZINC001499107009 1019750177 /nfs/dbraw/zinc/75/01/77/1019750177.db2.gz OGUOYXJKUQEQCT-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@@H]2CNC(=O)C[N@H+](C)CCC)C1=O ZINC001499107009 1019750190 /nfs/dbraw/zinc/75/01/90/1019750190.db2.gz OGUOYXJKUQEQCT-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499107009 1019750203 /nfs/dbraw/zinc/75/02/03/1019750203.db2.gz OGUOYXJKUQEQCT-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499107009 1019750219 /nfs/dbraw/zinc/75/02/19/1019750219.db2.gz OGUOYXJKUQEQCT-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001663508877 1174311891 /nfs/dbraw/zinc/31/18/91/1174311891.db2.gz VBMOOJHTSNPISW-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[C@H](C)NC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261885246 529695524 /nfs/dbraw/zinc/69/55/24/529695524.db2.gz RVRHSLGOHKPBAZ-GXTWGEPZSA-N 2 2 300.472 0.897 20 30 DCEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCO)CC1 ZINC000357644244 529837351 /nfs/dbraw/zinc/83/73/51/529837351.db2.gz HDHCKLRFBBEHMA-MRXNPFEDSA-N 2 2 308.426 0.183 20 30 DCEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCO)CC1 ZINC000357644244 529837352 /nfs/dbraw/zinc/83/73/52/529837352.db2.gz HDHCKLRFBBEHMA-MRXNPFEDSA-N 2 2 308.426 0.183 20 30 DCEDLP [NH2+]=C(NCC1CCC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000261992396 238169982 /nfs/dbraw/zinc/16/99/82/238169982.db2.gz MOJOOTHRYNAROK-HNNXBMFYSA-N 2 2 312.483 0.899 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491263767 533103286 /nfs/dbraw/zinc/10/32/86/533103286.db2.gz BUYOQHFHRWSIBJ-UHFFFAOYSA-N 2 2 318.425 0.192 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491263767 533103289 /nfs/dbraw/zinc/10/32/89/533103289.db2.gz BUYOQHFHRWSIBJ-UHFFFAOYSA-N 2 2 318.425 0.192 20 30 DCEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926442 395716335 /nfs/dbraw/zinc/71/63/35/395716335.db2.gz WKTVFPTXUNNFFT-CQSZACIVSA-N 2 2 318.425 0.550 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CC1 ZINC000515115716 396499118 /nfs/dbraw/zinc/49/91/18/396499118.db2.gz BDEHJXYFYNZLTN-UHFFFAOYSA-N 2 2 307.442 0.958 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CC1 ZINC000515115716 396499122 /nfs/dbraw/zinc/49/91/22/396499122.db2.gz BDEHJXYFYNZLTN-UHFFFAOYSA-N 2 2 307.442 0.958 20 30 DCEDLP CC(C)[N@H+](C)C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000595335150 396591031 /nfs/dbraw/zinc/59/10/31/396591031.db2.gz VRPCLDGPHMBOOQ-INIZCTEOSA-N 2 2 312.458 0.235 20 30 DCEDLP CC(C)[N@@H+](C)C[C@H](O)CN(CCC#N)CC[NH+]1CCOCC1 ZINC000595335150 396591032 /nfs/dbraw/zinc/59/10/32/396591032.db2.gz VRPCLDGPHMBOOQ-INIZCTEOSA-N 2 2 312.458 0.235 20 30 DCEDLP C[N@H+](CCOc1ccccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611315806 396854437 /nfs/dbraw/zinc/85/44/37/396854437.db2.gz YMKWWCNBJWVLRP-UHFFFAOYSA-N 2 2 316.405 0.643 20 30 DCEDLP C[N@@H+](CCOc1ccccc1C#N)CC(=O)N1CC[NH+](C)CC1 ZINC000611315806 396854445 /nfs/dbraw/zinc/85/44/45/396854445.db2.gz YMKWWCNBJWVLRP-UHFFFAOYSA-N 2 2 316.405 0.643 20 30 DCEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCn2cc[nH+]c2)nc1 ZINC000564722900 396859608 /nfs/dbraw/zinc/85/96/08/396859608.db2.gz XDFBZYKKFGCAMB-UHFFFAOYSA-N 2 2 305.363 0.213 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590599382 396809317 /nfs/dbraw/zinc/80/93/17/396809317.db2.gz BXDUTWJIBJYIAJ-MRXNPFEDSA-N 2 2 322.453 0.935 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000590599382 396809320 /nfs/dbraw/zinc/80/93/20/396809320.db2.gz BXDUTWJIBJYIAJ-MRXNPFEDSA-N 2 2 322.453 0.935 20 30 DCEDLP C[C@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572393806 397054875 /nfs/dbraw/zinc/05/48/75/397054875.db2.gz YSJVTQSATMMSNT-GFCCVEGCSA-N 2 2 310.423 0.657 20 30 DCEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602593556 397445371 /nfs/dbraw/zinc/44/53/71/397445371.db2.gz JJJXENQUOQHNPZ-LSDHHAIUSA-N 2 2 308.426 0.449 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000578971748 397506170 /nfs/dbraw/zinc/50/61/70/397506170.db2.gz WJKJFKFUVVJJRC-IYBDPMFKSA-N 2 2 322.453 0.799 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000578971748 397506177 /nfs/dbraw/zinc/50/61/77/397506177.db2.gz WJKJFKFUVVJJRC-IYBDPMFKSA-N 2 2 322.453 0.799 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754417 415683548 /nfs/dbraw/zinc/68/35/48/415683548.db2.gz XAUDSVVCCPGVHQ-HZPDHXFCSA-N 2 2 306.454 0.226 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754417 415683550 /nfs/dbraw/zinc/68/35/50/415683550.db2.gz XAUDSVVCCPGVHQ-HZPDHXFCSA-N 2 2 306.454 0.226 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000337168514 415920611 /nfs/dbraw/zinc/92/06/11/415920611.db2.gz BOFMXAOWJBFHMN-RDJZCZTQSA-N 2 2 320.481 0.874 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000337168514 415920617 /nfs/dbraw/zinc/92/06/17/415920617.db2.gz BOFMXAOWJBFHMN-RDJZCZTQSA-N 2 2 320.481 0.874 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000293345256 415855301 /nfs/dbraw/zinc/85/53/01/415855301.db2.gz KLWGUXQIIOUPOL-UHFFFAOYSA-N 2 2 302.378 0.708 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000293345256 415855306 /nfs/dbraw/zinc/85/53/06/415855306.db2.gz KLWGUXQIIOUPOL-UHFFFAOYSA-N 2 2 302.378 0.708 20 30 DCEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329218854 416157201 /nfs/dbraw/zinc/15/72/01/416157201.db2.gz AKTIJFKADSINDN-CYBMUJFWSA-N 2 2 319.409 0.566 20 30 DCEDLP CN1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1=O ZINC000329639404 416182478 /nfs/dbraw/zinc/18/24/78/416182478.db2.gz WPAZFUDLTDYPQN-UHFFFAOYSA-N 2 2 323.441 0.191 20 30 DCEDLP Cn1cc(C[NH+](C)CC#CC[N@@H+](C)Cc2cnn(C)c2)cn1 ZINC000341833625 416239503 /nfs/dbraw/zinc/23/95/03/416239503.db2.gz GQGKGWNLFXPNCM-UHFFFAOYSA-N 2 2 300.410 0.721 20 30 DCEDLP Cn1cc(C[NH+](C)CC#CC[N@H+](C)Cc2cnn(C)c2)cn1 ZINC000341833625 416239507 /nfs/dbraw/zinc/23/95/07/416239507.db2.gz GQGKGWNLFXPNCM-UHFFFAOYSA-N 2 2 300.410 0.721 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)CC23CCC3)CC1 ZINC000491303262 416594684 /nfs/dbraw/zinc/59/46/84/416594684.db2.gz ALZLWIOJDMRTBO-HNNXBMFYSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)CC23CCC3)CC1 ZINC000491303262 416594687 /nfs/dbraw/zinc/59/46/87/416594687.db2.gz ALZLWIOJDMRTBO-HNNXBMFYSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491327546 416596525 /nfs/dbraw/zinc/59/65/25/416596525.db2.gz WIKZFGFKUZDVHP-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491327546 416596528 /nfs/dbraw/zinc/59/65/28/416596528.db2.gz WIKZFGFKUZDVHP-HZPDHXFCSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)CCC[NH+]2CCCC2)CC1 ZINC000490819592 416574362 /nfs/dbraw/zinc/57/43/62/416574362.db2.gz JHMXMQZNOADCIV-UHFFFAOYSA-N 2 2 306.454 0.182 20 30 DCEDLP CCc1nc(C#N)cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596123047 416577382 /nfs/dbraw/zinc/57/73/82/416577382.db2.gz LZCKIQOWBZRCRR-ZDUSSCGKSA-N 2 2 314.437 1.491 20 30 DCEDLP CCc1nc(C#N)cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000596123047 416577387 /nfs/dbraw/zinc/57/73/87/416577387.db2.gz LZCKIQOWBZRCRR-ZDUSSCGKSA-N 2 2 314.437 1.491 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000491747095 416622252 /nfs/dbraw/zinc/62/22/52/416622252.db2.gz MMWMPFOQYYWXNU-JKSUJKDBSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000491747095 416622255 /nfs/dbraw/zinc/62/22/55/416622255.db2.gz MMWMPFOQYYWXNU-JKSUJKDBSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000491800975 416631283 /nfs/dbraw/zinc/63/12/83/416631283.db2.gz BNJKHUYZTIZVQW-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000491800975 416631287 /nfs/dbraw/zinc/63/12/87/416631287.db2.gz BNJKHUYZTIZVQW-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C[NH+]1CCC(C#N)(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000554286161 416707231 /nfs/dbraw/zinc/70/72/31/416707231.db2.gz AMTCBUOZZDJSDO-UHFFFAOYSA-N 2 2 308.426 0.593 20 30 DCEDLP C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372753 416762026 /nfs/dbraw/zinc/76/20/26/416762026.db2.gz LPFUUMHVDDZGQC-UONOGXRCSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372753 416762032 /nfs/dbraw/zinc/76/20/32/416762032.db2.gz LPFUUMHVDDZGQC-UONOGXRCSA-N 2 2 307.442 0.956 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659809645 418183335 /nfs/dbraw/zinc/18/33/35/418183335.db2.gz HQRVJIHQJPMBOG-IYBDPMFKSA-N 2 2 324.469 0.015 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659809645 418183337 /nfs/dbraw/zinc/18/33/37/418183337.db2.gz HQRVJIHQJPMBOG-IYBDPMFKSA-N 2 2 324.469 0.015 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476771 418262171 /nfs/dbraw/zinc/26/21/71/418262171.db2.gz FKSLHVWRQFGHNI-JKSUJKDBSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476771 418262173 /nfs/dbraw/zinc/26/21/73/418262173.db2.gz FKSLHVWRQFGHNI-JKSUJKDBSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C[C@H](CO)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662167635 418385909 /nfs/dbraw/zinc/38/59/09/418385909.db2.gz CQDBIZJLXRLPNN-ZIAGYGMSSA-N 2 2 304.394 0.255 20 30 DCEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2ccccn2)CC1 ZINC000261690407 276095566 /nfs/dbraw/zinc/09/55/66/276095566.db2.gz KRLVQFIFENTWMK-UHFFFAOYSA-N 2 2 316.453 0.875 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CCC[C@H]2C)CC1 ZINC000491484922 333108484 /nfs/dbraw/zinc/10/84/84/333108484.db2.gz LRQUTLVXIGRZHD-IAGOWNOFSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CCC[C@H]2C)CC1 ZINC000491484922 333108486 /nfs/dbraw/zinc/10/84/86/333108486.db2.gz LRQUTLVXIGRZHD-IAGOWNOFSA-N 2 2 321.465 0.901 20 30 DCEDLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000329815598 336085287 /nfs/dbraw/zinc/08/52/87/336085287.db2.gz VIBPLSHWMQYHDR-CQSZACIVSA-N 2 2 322.457 0.789 20 30 DCEDLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329815598 336085289 /nfs/dbraw/zinc/08/52/89/336085289.db2.gz VIBPLSHWMQYHDR-CQSZACIVSA-N 2 2 322.457 0.789 20 30 DCEDLP CC(C)(CNC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)[NH+]1CCOCC1 ZINC000332547362 336174235 /nfs/dbraw/zinc/17/42/35/336174235.db2.gz CSACJWJQMXJSIB-KGLIPLIRSA-N 2 2 308.426 0.495 20 30 DCEDLP COc1cc(C#N)ccc1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583031956 337231302 /nfs/dbraw/zinc/23/13/02/337231302.db2.gz CWMJANBOKMRCEI-ZDUSSCGKSA-N 2 2 318.377 0.047 20 30 DCEDLP COc1cc(C#N)ccc1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583031956 337231303 /nfs/dbraw/zinc/23/13/03/337231303.db2.gz CWMJANBOKMRCEI-ZDUSSCGKSA-N 2 2 318.377 0.047 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000491013197 339845850 /nfs/dbraw/zinc/84/58/50/339845850.db2.gz IRZNVANCJJQHFQ-KRWDZBQOSA-N 2 2 321.465 0.685 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000173651880 340370369 /nfs/dbraw/zinc/37/03/69/340370369.db2.gz XVMGDPAWHWIVQV-UHFFFAOYSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000130438588 341021687 /nfs/dbraw/zinc/02/16/87/341021687.db2.gz MOSXPPCHBPBVBB-UHFFFAOYSA-N 3 2 317.437 0.291 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000130438588 341021688 /nfs/dbraw/zinc/02/16/88/341021688.db2.gz MOSXPPCHBPBVBB-UHFFFAOYSA-N 3 2 317.437 0.291 20 30 DCEDLP C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160034967 526347162 /nfs/dbraw/zinc/34/71/62/526347162.db2.gz HUYPOWZEELETKQ-KGLIPLIRSA-N 2 2 320.441 0.866 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262431380 526367370 /nfs/dbraw/zinc/36/73/70/526367370.db2.gz FCQFWOLLMLLWIU-ZDUSSCGKSA-N 2 2 301.398 0.682 20 30 DCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCO[C@H](COC)C1 ZINC000262011017 526387783 /nfs/dbraw/zinc/38/77/83/526387783.db2.gz VCAUJMKDZZEPSG-AWEZNQCLSA-N 2 2 321.425 0.642 20 30 DCEDLP C=C[C@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358823166 527583628 /nfs/dbraw/zinc/58/36/28/527583628.db2.gz CJFKWBRLTYBXJU-OAHLLOKOSA-N 2 2 324.469 0.783 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[N@H+](C)C1 ZINC000329741041 546054425 /nfs/dbraw/zinc/05/44/25/546054425.db2.gz VTMHREQAXJXOMH-AGIUHOORSA-N 2 2 321.425 0.832 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[N@@H+](C)C1 ZINC000329741041 546054430 /nfs/dbraw/zinc/05/44/30/546054430.db2.gz VTMHREQAXJXOMH-AGIUHOORSA-N 2 2 321.425 0.832 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[N@H+](C)C1 ZINC000329741041 546054436 /nfs/dbraw/zinc/05/44/36/546054436.db2.gz VTMHREQAXJXOMH-AGIUHOORSA-N 2 2 321.425 0.832 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[N@@H+](C)C1 ZINC000329741041 546054441 /nfs/dbraw/zinc/05/44/41/546054441.db2.gz VTMHREQAXJXOMH-AGIUHOORSA-N 2 2 321.425 0.832 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978368058 660527454 /nfs/dbraw/zinc/52/74/54/660527454.db2.gz ZQTNVXSTCAEBBO-QCEMKRCNSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978368058 660527455 /nfs/dbraw/zinc/52/74/55/660527455.db2.gz ZQTNVXSTCAEBBO-QCEMKRCNSA-N 2 2 300.406 0.926 20 30 DCEDLP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023117511 657529262 /nfs/dbraw/zinc/52/92/62/657529262.db2.gz URUHHUBYEJSHOJ-XHSDSOJGSA-N 2 2 307.438 0.910 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038261661 657613750 /nfs/dbraw/zinc/61/37/50/657613750.db2.gz FPDNSESIZYSBPQ-BBWFWOEESA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038261661 657613756 /nfs/dbraw/zinc/61/37/56/657613756.db2.gz FPDNSESIZYSBPQ-BBWFWOEESA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021712836 658270723 /nfs/dbraw/zinc/27/07/23/658270723.db2.gz KUYPGFAHJHJLAJ-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021712836 658270727 /nfs/dbraw/zinc/27/07/27/658270727.db2.gz KUYPGFAHJHJLAJ-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012762 658354986 /nfs/dbraw/zinc/35/49/86/658354986.db2.gz NZVTZYMZSPHLPJ-LBPRGKRZSA-N 2 2 304.394 0.810 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448637 658789293 /nfs/dbraw/zinc/78/92/93/658789293.db2.gz BHHXMTKEGRUUJP-QGZVFWFLSA-N 2 2 317.433 0.551 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448637 658789298 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HRJFCOAOGFZQFG-RYQLBKOJSA-N 2 2 319.449 0.511 20 30 DCEDLP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245284 661314641 /nfs/dbraw/zinc/31/46/41/661314641.db2.gz HRJFCOAOGFZQFG-RYQLBKOJSA-N 2 2 319.449 0.511 20 30 DCEDLP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245284 661314643 /nfs/dbraw/zinc/31/46/43/661314643.db2.gz HRJFCOAOGFZQFG-RYQLBKOJSA-N 2 2 319.449 0.511 20 30 DCEDLP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245284 661314645 /nfs/dbraw/zinc/31/46/45/661314645.db2.gz HRJFCOAOGFZQFG-RYQLBKOJSA-N 2 2 319.449 0.511 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648016 665822396 /nfs/dbraw/zinc/82/23/96/665822396.db2.gz VMBBOIMNOXSHSO-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648016 665822397 /nfs/dbraw/zinc/82/23/97/665822397.db2.gz VMBBOIMNOXSHSO-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648016 665822398 /nfs/dbraw/zinc/82/23/98/665822398.db2.gz VMBBOIMNOXSHSO-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000928648699 662381586 /nfs/dbraw/zinc/38/15/86/662381586.db2.gz QNLWEORSENGRBR-FYWRMAATSA-N 2 2 305.422 0.479 20 30 DCEDLP C=C(C)C[NH+]1CCC(N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)CC1 ZINC000348415763 663783258 /nfs/dbraw/zinc/78/32/58/663783258.db2.gz KRBSZBCCAFCORQ-AWEZNQCLSA-N 2 2 317.393 0.913 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1 ZINC000913445936 664322028 /nfs/dbraw/zinc/32/20/28/664322028.db2.gz VMONDOVKPFOEFF-HNNXBMFYSA-N 2 2 301.394 0.228 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000913728666 664716741 /nfs/dbraw/zinc/71/67/41/664716741.db2.gz WASYQXGUQDROQD-UHFFFAOYSA-N 2 2 317.437 0.671 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001670724383 1157501147 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20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997979257 665381856 /nfs/dbraw/zinc/38/18/56/665381856.db2.gz VRRMSISQLWHILN-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997979257 665381858 /nfs/dbraw/zinc/38/18/58/665381858.db2.gz VRRMSISQLWHILN-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997979257 665381861 /nfs/dbraw/zinc/38/18/61/665381861.db2.gz VRRMSISQLWHILN-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997979257 665381863 /nfs/dbraw/zinc/38/18/63/665381863.db2.gz VRRMSISQLWHILN-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003220356 666284270 /nfs/dbraw/zinc/28/42/70/666284270.db2.gz BMPATBYOGDJUQG-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922630002 666499033 /nfs/dbraw/zinc/49/90/33/666499033.db2.gz NIAXFHZSFFHQBG-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC000922630002 666499035 /nfs/dbraw/zinc/49/90/35/666499035.db2.gz NIAXFHZSFFHQBG-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)CC1(C)C ZINC000996103477 666739366 /nfs/dbraw/zinc/73/93/66/666739366.db2.gz XQRDGKSRUFXNRC-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1(C)C ZINC000996103477 666739369 /nfs/dbraw/zinc/73/93/69/666739369.db2.gz XQRDGKSRUFXNRC-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(=C)C)CCO1 ZINC001035400173 667324498 /nfs/dbraw/zinc/32/44/98/667324498.db2.gz LOPMXAARNIZHLA-SJORKVTESA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(=C)C)CCO1 ZINC001035400173 667324500 /nfs/dbraw/zinc/32/45/00/667324500.db2.gz LOPMXAARNIZHLA-SJORKVTESA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(=C)C)CCO1 ZINC001035400173 667324503 /nfs/dbraw/zinc/32/45/03/667324503.db2.gz LOPMXAARNIZHLA-SJORKVTESA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(=C)C)CCO1 ZINC001035400173 667324505 /nfs/dbraw/zinc/32/45/05/667324505.db2.gz LOPMXAARNIZHLA-SJORKVTESA-N 2 2 319.449 0.867 20 30 DCEDLP C#CCC[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000866016075 667360508 /nfs/dbraw/zinc/36/05/08/667360508.db2.gz WWMWVQANEJOGDM-PLNGDYQASA-N 2 2 305.422 0.479 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035820546 667412104 /nfs/dbraw/zinc/41/21/04/667412104.db2.gz XDIHYOFPRVGJHE-UHFFFAOYSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000886353779 667759594 /nfs/dbraw/zinc/75/95/94/667759594.db2.gz PLJQQOUVHYXBKL-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000886353779 667759595 /nfs/dbraw/zinc/75/95/95/667759595.db2.gz PLJQQOUVHYXBKL-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CC[C@H](C(=O)OC)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000878338372 668715437 /nfs/dbraw/zinc/71/54/37/668715437.db2.gz QYLFOPNPABZULM-CQSZACIVSA-N 2 2 312.410 0.263 20 30 DCEDLP C#C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@H]1CCCO1 ZINC000775572268 668865273 /nfs/dbraw/zinc/86/52/73/668865273.db2.gz QKQQUDMQDRGHJR-ZWKOTPCHSA-N 2 2 321.465 0.553 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001752375123 1157919839 /nfs/dbraw/zinc/91/98/39/1157919839.db2.gz IVGDWIMNSHDXFR-UHFFFAOYSA-N 2 2 306.454 0.229 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036866527 670229843 /nfs/dbraw/zinc/22/98/43/670229843.db2.gz GMVCAGYGANRXBR-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036866527 670229847 /nfs/dbraw/zinc/22/98/47/670229847.db2.gz GMVCAGYGANRXBR-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[C@@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238213 670983276 /nfs/dbraw/zinc/98/32/76/670983276.db2.gz HDJSWOQPFNGDEG-CABCVRRESA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[C@@H](COC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238213 670983279 /nfs/dbraw/zinc/98/32/79/670983279.db2.gz HDJSWOQPFNGDEG-CABCVRRESA-N 2 2 322.453 0.492 20 30 DCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024809801 693835210 /nfs/dbraw/zinc/83/52/10/693835210.db2.gz XGIGNQVJQQGZIU-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024809801 693835214 /nfs/dbraw/zinc/83/52/14/693835214.db2.gz XGIGNQVJQQGZIU-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809801 693835219 /nfs/dbraw/zinc/83/52/19/693835219.db2.gz XGIGNQVJQQGZIU-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809801 693835224 /nfs/dbraw/zinc/83/52/24/693835224.db2.gz XGIGNQVJQQGZIU-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958070105 687323870 /nfs/dbraw/zinc/32/38/70/687323870.db2.gz WGYSKLJSDXKQGE-GJZGRUSLSA-N 2 2 312.373 0.298 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958070105 687323875 /nfs/dbraw/zinc/32/38/75/687323875.db2.gz WGYSKLJSDXKQGE-GJZGRUSLSA-N 2 2 312.373 0.298 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960007907 688279913 /nfs/dbraw/zinc/27/99/13/688279913.db2.gz AKORKUYWNYMFEN-HWWDLCQESA-N 2 2 312.417 0.832 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960007907 688279917 /nfs/dbraw/zinc/27/99/17/688279917.db2.gz AKORKUYWNYMFEN-HWWDLCQESA-N 2 2 312.417 0.832 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccon2)C1 ZINC000961938399 688773211 /nfs/dbraw/zinc/77/32/11/688773211.db2.gz PALFDBAOQVSYLX-BCLQGDPASA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2ccon2)C1 ZINC000961938399 688773216 /nfs/dbraw/zinc/77/32/16/688773216.db2.gz PALFDBAOQVSYLX-BCLQGDPASA-N 2 2 316.405 0.757 20 30 DCEDLP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007729651 690734604 /nfs/dbraw/zinc/73/46/04/690734604.db2.gz WGNMXTZRDRAIFX-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007729651 690734608 /nfs/dbraw/zinc/73/46/08/690734608.db2.gz WGNMXTZRDRAIFX-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136887 694497492 /nfs/dbraw/zinc/49/74/92/694497492.db2.gz JXWHJMCCUCOONB-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136887 694497493 /nfs/dbraw/zinc/49/74/93/694497493.db2.gz JXWHJMCCUCOONB-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136887 694497494 /nfs/dbraw/zinc/49/74/94/694497494.db2.gz JXWHJMCCUCOONB-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136887 694497496 /nfs/dbraw/zinc/49/74/96/694497496.db2.gz JXWHJMCCUCOONB-FUHWJXTLSA-N 2 2 319.449 0.655 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664689 694762307 /nfs/dbraw/zinc/76/23/07/694762307.db2.gz NADZSGVVCAZAGU-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664689 694762309 /nfs/dbraw/zinc/76/23/09/694762309.db2.gz NADZSGVVCAZAGU-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664688 694762322 /nfs/dbraw/zinc/76/23/22/694762322.db2.gz NADZSGVVCAZAGU-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664688 694762323 /nfs/dbraw/zinc/76/23/23/694762323.db2.gz NADZSGVVCAZAGU-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073671091 694763479 /nfs/dbraw/zinc/76/34/79/694763479.db2.gz VUOIPDDFSULAHK-GDBMZVCRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073671091 694763480 /nfs/dbraw/zinc/76/34/80/694763480.db2.gz VUOIPDDFSULAHK-GDBMZVCRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407539 694889997 /nfs/dbraw/zinc/88/99/97/694889997.db2.gz GQHHPRFEXBEKFH-JKSUJKDBSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407539 694889999 /nfs/dbraw/zinc/88/99/99/694889999.db2.gz GQHHPRFEXBEKFH-JKSUJKDBSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001772513521 1157398524 /nfs/dbraw/zinc/39/85/24/1157398524.db2.gz YFPZLKKAHPRGSE-RRFJBIMHSA-N 2 2 318.421 0.298 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001772513521 1157398533 /nfs/dbraw/zinc/39/85/33/1157398533.db2.gz YFPZLKKAHPRGSE-RRFJBIMHSA-N 2 2 318.421 0.298 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001670724383 1157501143 /nfs/dbraw/zinc/50/11/43/1157501143.db2.gz HQLUEOQCVLCWPC-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691389162 1157660010 /nfs/dbraw/zinc/66/00/10/1157660010.db2.gz UKWWPEZYWCGHAS-OAHLLOKOSA-N 2 2 304.394 0.374 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691389162 1157660013 /nfs/dbraw/zinc/66/00/13/1157660013.db2.gz UKWWPEZYWCGHAS-OAHLLOKOSA-N 2 2 304.394 0.374 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691416114 1157667939 /nfs/dbraw/zinc/66/79/39/1157667939.db2.gz DGRWRPRVHWUEBR-HUUCEWRRSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691416114 1157667941 /nfs/dbraw/zinc/66/79/41/1157667941.db2.gz DGRWRPRVHWUEBR-HUUCEWRRSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691416114 1157667944 /nfs/dbraw/zinc/66/79/44/1157667944.db2.gz DGRWRPRVHWUEBR-HUUCEWRRSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691416114 1157667947 /nfs/dbraw/zinc/66/79/47/1157667947.db2.gz DGRWRPRVHWUEBR-HUUCEWRRSA-N 2 2 324.469 0.550 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001691506545 1158114504 /nfs/dbraw/zinc/11/45/04/1158114504.db2.gz RJVVNFJXDPJVOT-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001566773187 1160148690 /nfs/dbraw/zinc/14/86/90/1160148690.db2.gz CSIXQLOXQAITKB-KBPBESRZSA-N 2 2 319.409 0.327 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001566854372 1160168631 /nfs/dbraw/zinc/16/86/31/1160168631.db2.gz KAYXBGMJXVPEMU-KFWWJZLASA-N 2 2 304.394 0.721 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001566916712 1160183731 /nfs/dbraw/zinc/18/37/31/1160183731.db2.gz RPARHADOHUSALU-OAHLLOKOSA-N 2 2 304.394 0.361 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001566951641 1160193142 /nfs/dbraw/zinc/19/31/42/1160193142.db2.gz NLQMHJHDHVRDGK-HNNXBMFYSA-N 2 2 318.421 0.881 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567281434 1160294489 /nfs/dbraw/zinc/29/44/89/1160294489.db2.gz MZPBMSRNAFFHSC-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567281434 1160294493 /nfs/dbraw/zinc/29/44/93/1160294493.db2.gz MZPBMSRNAFFHSC-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001567281434 1160294498 /nfs/dbraw/zinc/29/44/98/1160294498.db2.gz MZPBMSRNAFFHSC-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001567281434 1160294503 /nfs/dbraw/zinc/29/45/03/1160294503.db2.gz MZPBMSRNAFFHSC-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001568369685 1160637492 /nfs/dbraw/zinc/63/74/92/1160637492.db2.gz LZRZHENOXRMBAL-UONOGXRCSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001569251485 1160993643 /nfs/dbraw/zinc/99/36/43/1160993643.db2.gz CFDSQVMGVRLIFC-ZDUSSCGKSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001569550347 1161106438 /nfs/dbraw/zinc/10/64/38/1161106438.db2.gz WQAALIIEHYYMOP-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP C#CC[N@H+](CCn1cnc(Br)n1)C1CC[NH2+]CC1 ZINC001574666893 1163738910 /nfs/dbraw/zinc/73/89/10/1163738910.db2.gz JETFCKNFTUEETH-UHFFFAOYSA-N 2 2 312.215 0.728 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2cccc(OC)c2)C1 ZINC001574673506 1163738776 /nfs/dbraw/zinc/73/87/76/1163738776.db2.gz MNWGKAPAWTWOHT-GDBMZVCRSA-N 2 2 301.390 0.909 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]([NH3+])c2cccc(OC)c2)C1 ZINC001574673506 1163738782 /nfs/dbraw/zinc/73/87/82/1163738782.db2.gz MNWGKAPAWTWOHT-GDBMZVCRSA-N 2 2 301.390 0.909 20 30 DCEDLP C#CC[N@@H+](CCn1cnc(Br)n1)C1CC[NH2+]CC1 ZINC001574666893 1163738903 /nfs/dbraw/zinc/73/89/03/1163738903.db2.gz JETFCKNFTUEETH-UHFFFAOYSA-N 2 2 312.215 0.728 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001656164221 1173847101 /nfs/dbraw/zinc/84/71/01/1173847101.db2.gz QCIDLTOQQVNDBP-KFWWJZLASA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001656164221 1173847107 /nfs/dbraw/zinc/84/71/07/1173847107.db2.gz QCIDLTOQQVNDBP-KFWWJZLASA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001661502461 1174131387 /nfs/dbraw/zinc/13/13/87/1174131387.db2.gz ZGGVCRSDIFTRTL-HDJSIYSDSA-N 2 2 304.394 0.239 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnns1 ZINC001662244135 1174192800 /nfs/dbraw/zinc/19/28/00/1174192800.db2.gz GEZYREZCNHYQFI-AAEUAGOBSA-N 2 2 307.423 0.230 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnns1 ZINC001662244135 1174192804 /nfs/dbraw/zinc/19/28/04/1174192804.db2.gz GEZYREZCNHYQFI-AAEUAGOBSA-N 2 2 307.423 0.230 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001663508877 1174311868 /nfs/dbraw/zinc/31/18/68/1174311868.db2.gz VBMOOJHTSNPISW-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001663508877 1174311875 /nfs/dbraw/zinc/31/18/75/1174311875.db2.gz VBMOOJHTSNPISW-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001663508877 1174311882 /nfs/dbraw/zinc/31/18/82/1174311882.db2.gz VBMOOJHTSNPISW-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001664023708 1174384813 /nfs/dbraw/zinc/38/48/13/1174384813.db2.gz UIKZIMFCHKMSQT-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001667338948 1174675813 /nfs/dbraw/zinc/67/58/13/1174675813.db2.gz OEROWSTUSQUGMN-GJZGRUSLSA-N 2 2 318.421 0.819 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001667825885 1174718971 /nfs/dbraw/zinc/71/89/71/1174718971.db2.gz DLZCWEFDTVBQHL-WFASDCNBSA-N 2 2 321.425 0.433 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001667825885 1174718977 /nfs/dbraw/zinc/71/89/77/1174718977.db2.gz DLZCWEFDTVBQHL-WFASDCNBSA-N 2 2 321.425 0.433 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001667861567 1174726086 /nfs/dbraw/zinc/72/60/86/1174726086.db2.gz HZTUHAGAZLWFJR-UHFFFAOYSA-N 2 2 300.406 0.866 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001673289053 1175186449 /nfs/dbraw/zinc/18/64/49/1175186449.db2.gz SNBWESHEHUPIEE-ZBFHGGJFSA-N 2 2 316.405 0.286 20 30 DCEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001673702879 1175225872 /nfs/dbraw/zinc/22/58/72/1175225872.db2.gz BGWCJORNAHEYDJ-INIZCTEOSA-N 2 2 304.394 0.227 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001673702880 1175226173 /nfs/dbraw/zinc/22/61/73/1175226173.db2.gz BGWCJORNAHEYDJ-MRXNPFEDSA-N 2 2 304.394 0.227 20 30 DCEDLP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001674860818 1175301757 /nfs/dbraw/zinc/30/17/57/1175301757.db2.gz NSKMXLZPDSYAQL-UHFFFAOYSA-N 2 2 306.410 0.676 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@@H+](C)CCC)C2)C1 ZINC001675427050 1175354778 /nfs/dbraw/zinc/35/47/78/1175354778.db2.gz YYUPYBRGLOXZLG-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001675427050 1175354784 /nfs/dbraw/zinc/35/47/84/1175354784.db2.gz YYUPYBRGLOXZLG-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001675427050 1175354791 /nfs/dbraw/zinc/35/47/91/1175354791.db2.gz YYUPYBRGLOXZLG-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001675427050 1175354795 /nfs/dbraw/zinc/35/47/95/1175354795.db2.gz YYUPYBRGLOXZLG-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001675544275 1175370957 /nfs/dbraw/zinc/37/09/57/1175370957.db2.gz HDBARWKLIRENHQ-QKDCVEJESA-N 2 2 304.394 0.449 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001675544275 1175370960 /nfs/dbraw/zinc/37/09/60/1175370960.db2.gz HDBARWKLIRENHQ-QKDCVEJESA-N 2 2 304.394 0.449 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001675621769 1175381311 /nfs/dbraw/zinc/38/13/11/1175381311.db2.gz RMODMAMXLOSFCX-GDBMZVCRSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001676113739 1175422258 /nfs/dbraw/zinc/42/22/58/1175422258.db2.gz BDPBYBSRODZUOX-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001676113739 1175422260 /nfs/dbraw/zinc/42/22/60/1175422260.db2.gz BDPBYBSRODZUOX-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001676744338 1175485574 /nfs/dbraw/zinc/48/55/74/1175485574.db2.gz YXEZFMUWVBRFEK-QWHCGFSZSA-N 2 2 304.394 0.952 20 30 DCEDLP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001677160069 1175538858 /nfs/dbraw/zinc/53/88/58/1175538858.db2.gz CEKHHOCBUJQRMZ-HUUCEWRRSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001677160069 1175538861 /nfs/dbraw/zinc/53/88/61/1175538861.db2.gz CEKHHOCBUJQRMZ-HUUCEWRRSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001677160068 1175539653 /nfs/dbraw/zinc/53/96/53/1175539653.db2.gz CEKHHOCBUJQRMZ-GJZGRUSLSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001677160068 1175539657 /nfs/dbraw/zinc/53/96/57/1175539657.db2.gz CEKHHOCBUJQRMZ-GJZGRUSLSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001690593336 1177277485 /nfs/dbraw/zinc/27/74/85/1177277485.db2.gz BBDFBUJDIRROKC-KGLIPLIRSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001690593337 1177277848 /nfs/dbraw/zinc/27/78/48/1177277848.db2.gz BBDFBUJDIRROKC-UONOGXRCSA-N 2 2 306.410 0.742 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001698891218 1177708459 /nfs/dbraw/zinc/70/84/59/1177708459.db2.gz LWHWCLNARAFCLU-JKSUJKDBSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccn(C)n1 ZINC001699186281 1177922924 /nfs/dbraw/zinc/92/29/24/1177922924.db2.gz HGLODRAHUINICT-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccn(C)n1 ZINC001699186281 1177922928 /nfs/dbraw/zinc/92/29/28/1177922928.db2.gz HGLODRAHUINICT-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699898698 1178349203 /nfs/dbraw/zinc/34/92/03/1178349203.db2.gz QPTREMFRZQWMBZ-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699898698 1178349209 /nfs/dbraw/zinc/34/92/09/1178349209.db2.gz QPTREMFRZQWMBZ-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699907959 1178364358 /nfs/dbraw/zinc/36/43/58/1178364358.db2.gz SIKLWYQLHSFUCX-GOEBONIOSA-N 2 2 304.394 0.411 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699907959 1178364366 /nfs/dbraw/zinc/36/43/66/1178364366.db2.gz SIKLWYQLHSFUCX-GOEBONIOSA-N 2 2 304.394 0.411 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001699925535 1178385533 /nfs/dbraw/zinc/38/55/33/1178385533.db2.gz IQJQQHLJLSXQQT-OAHLLOKOSA-N 2 2 307.438 0.293 20 30 DCEDLP CC#CCN1CC[NH+](CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001713076888 1180669503 /nfs/dbraw/zinc/66/95/03/1180669503.db2.gz IUYUYJAQEIUKBA-UHFFFAOYSA-N 2 2 317.437 0.339 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cnn(C)c1 ZINC001713486619 1180862831 /nfs/dbraw/zinc/86/28/31/1180862831.db2.gz PVOLRINKEPCJQV-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cnn(C)c1 ZINC001713486619 1180862836 /nfs/dbraw/zinc/86/28/36/1180862836.db2.gz PVOLRINKEPCJQV-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cnn(C)c1 ZINC001713486619 1180862842 /nfs/dbraw/zinc/86/28/42/1180862842.db2.gz PVOLRINKEPCJQV-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cnn(C)c1 ZINC001713486619 1180862849 /nfs/dbraw/zinc/86/28/49/1180862849.db2.gz PVOLRINKEPCJQV-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001713529302 1180904110 /nfs/dbraw/zinc/90/41/10/1180904110.db2.gz IMLPVJPRMHXJED-AWEZNQCLSA-N 2 2 300.406 0.833 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001713529302 1180904116 /nfs/dbraw/zinc/90/41/16/1180904116.db2.gz IMLPVJPRMHXJED-AWEZNQCLSA-N 2 2 300.406 0.833 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714032925 1181214805 /nfs/dbraw/zinc/21/48/05/1181214805.db2.gz PQLSQPINFZDVMB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714032925 1181214812 /nfs/dbraw/zinc/21/48/12/1181214812.db2.gz PQLSQPINFZDVMB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714032925 1181214816 /nfs/dbraw/zinc/21/48/16/1181214816.db2.gz PQLSQPINFZDVMB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714032925 1181214818 /nfs/dbraw/zinc/21/48/18/1181214818.db2.gz PQLSQPINFZDVMB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001714248689 1181294198 /nfs/dbraw/zinc/29/41/98/1181294198.db2.gz JANJQFIVKHQKEI-LBPRGKRZSA-N 2 2 308.382 0.094 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001714472363 1181381319 /nfs/dbraw/zinc/38/13/19/1181381319.db2.gz IBDNHJRQYLWIRK-OCCSQVGLSA-N 2 2 318.425 0.195 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001714472363 1181381325 /nfs/dbraw/zinc/38/13/25/1181381325.db2.gz IBDNHJRQYLWIRK-OCCSQVGLSA-N 2 2 318.425 0.195 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714637699 1181455905 /nfs/dbraw/zinc/45/59/05/1181455905.db2.gz WDKQXTMSUMRKHL-AWEZNQCLSA-N 2 2 304.394 0.430 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714637699 1181455907 /nfs/dbraw/zinc/45/59/07/1181455907.db2.gz WDKQXTMSUMRKHL-AWEZNQCLSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001715111339 1181691886 /nfs/dbraw/zinc/69/18/86/1181691886.db2.gz FIAYXDOOSPACAA-DYVFJYSZSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001715225820 1181723480 /nfs/dbraw/zinc/72/34/80/1181723480.db2.gz DARFOQPHZAUTBG-WFASDCNBSA-N 2 2 303.410 0.765 20 30 DCEDLP C#CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001715225820 1181723485 /nfs/dbraw/zinc/72/34/85/1181723485.db2.gz DARFOQPHZAUTBG-WFASDCNBSA-N 2 2 303.410 0.765 20 30 DCEDLP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001715276543 1181748152 /nfs/dbraw/zinc/74/81/52/1181748152.db2.gz IIFUPNKBYHKSLS-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001715276543 1181748158 /nfs/dbraw/zinc/74/81/58/1181748158.db2.gz IIFUPNKBYHKSLS-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001715276543 1181748165 /nfs/dbraw/zinc/74/81/65/1181748165.db2.gz IIFUPNKBYHKSLS-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001715276543 1181748173 /nfs/dbraw/zinc/74/81/73/1181748173.db2.gz IIFUPNKBYHKSLS-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnc(C)o2)CC1 ZINC001716684945 1182495153 /nfs/dbraw/zinc/49/51/53/1182495153.db2.gz JTNMQONTRSERAD-HNNXBMFYSA-N 2 2 316.405 0.819 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnc(C)o2)CC1 ZINC001716684945 1182495155 /nfs/dbraw/zinc/49/51/55/1182495155.db2.gz JTNMQONTRSERAD-HNNXBMFYSA-N 2 2 316.405 0.819 20 30 DCEDLP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001716800810 1182530057 /nfs/dbraw/zinc/53/00/57/1182530057.db2.gz PCWRHHAGISRELT-AWEZNQCLSA-N 2 2 316.405 0.573 20 30 DCEDLP COCC#CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001717207931 1182731826 /nfs/dbraw/zinc/73/18/26/1182731826.db2.gz VNZAPYZTONMQQB-UHFFFAOYSA-N 2 2 306.410 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001717207931 1182731834 /nfs/dbraw/zinc/73/18/34/1182731834.db2.gz VNZAPYZTONMQQB-UHFFFAOYSA-N 2 2 306.410 0.772 20 30 DCEDLP COCC#CC[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001717207931 1182731837 /nfs/dbraw/zinc/73/18/37/1182731837.db2.gz VNZAPYZTONMQQB-UHFFFAOYSA-N 2 2 306.410 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001717207931 1182731844 /nfs/dbraw/zinc/73/18/44/1182731844.db2.gz VNZAPYZTONMQQB-UHFFFAOYSA-N 2 2 306.410 0.772 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001717746125 1182976932 /nfs/dbraw/zinc/97/69/32/1182976932.db2.gz LOLNLSVCCVZZDK-UONOGXRCSA-N 2 2 306.410 0.675 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001717746125 1182976936 /nfs/dbraw/zinc/97/69/36/1182976936.db2.gz LOLNLSVCCVZZDK-UONOGXRCSA-N 2 2 306.410 0.675 20 30 DCEDLP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001717916847 1183058276 /nfs/dbraw/zinc/05/82/76/1183058276.db2.gz DGGQUILJMNUCPU-CQSZACIVSA-N 2 2 302.378 0.851 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001725013408 1184655000 /nfs/dbraw/zinc/65/50/00/1184655000.db2.gz RVAXVRXGFJXLPH-UHFFFAOYSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)C1 ZINC001725013408 1184655006 /nfs/dbraw/zinc/65/50/06/1184655006.db2.gz RVAXVRXGFJXLPH-UHFFFAOYSA-N 2 2 319.449 0.655 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001725697679 1184950298 /nfs/dbraw/zinc/95/02/98/1184950298.db2.gz NOIHQBDBIMVFSX-ZFWWWQNUSA-N 2 2 306.410 0.431 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001731853085 1185530086 /nfs/dbraw/zinc/53/00/86/1185530086.db2.gz RIYVBYQTENCNRT-CQSZACIVSA-N 2 2 319.409 0.014 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001731853085 1185530088 /nfs/dbraw/zinc/53/00/88/1185530088.db2.gz RIYVBYQTENCNRT-CQSZACIVSA-N 2 2 319.409 0.014 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001733065772 1186125658 /nfs/dbraw/zinc/12/56/58/1186125658.db2.gz JBFWAIGDVWKMEX-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001733065772 1186125662 /nfs/dbraw/zinc/12/56/62/1186125662.db2.gz JBFWAIGDVWKMEX-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065772 1186125666 /nfs/dbraw/zinc/12/56/66/1186125666.db2.gz JBFWAIGDVWKMEX-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065772 1186125670 /nfs/dbraw/zinc/12/56/70/1186125670.db2.gz JBFWAIGDVWKMEX-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001733188611 1186174195 /nfs/dbraw/zinc/17/41/95/1186174195.db2.gz ZBNPRUNWGMIREU-OAHLLOKOSA-N 2 2 304.394 0.097 20 30 DCEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733508188 1186315362 /nfs/dbraw/zinc/31/53/62/1186315362.db2.gz ONRNGNGZTQOTSG-UHFFFAOYSA-N 2 2 309.454 0.847 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001733739771 1186423626 /nfs/dbraw/zinc/42/36/26/1186423626.db2.gz ZYFHLXLQGPBXOU-OAHLLOKOSA-N 2 2 317.389 0.473 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001733984206 1186515604 /nfs/dbraw/zinc/51/56/04/1186515604.db2.gz QCJLVOULDIUKDB-ZIAGYGMSSA-N 2 2 306.410 0.485 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734352001 1186620701 /nfs/dbraw/zinc/62/07/01/1186620701.db2.gz WVEMCFCKVOCVMW-STQMWFEESA-N 2 2 321.425 0.090 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001734356770 1186621542 /nfs/dbraw/zinc/62/15/42/1186621542.db2.gz LRJXWBNAIHNZOS-HNNXBMFYSA-N 2 2 306.410 0.750 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001753200138 1188533059 /nfs/dbraw/zinc/53/30/59/1188533059.db2.gz ZFOXVNNMHFEKMM-HNNXBMFYSA-N 2 2 303.410 0.066 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001753200138 1188533061 /nfs/dbraw/zinc/53/30/61/1188533061.db2.gz ZFOXVNNMHFEKMM-HNNXBMFYSA-N 2 2 303.410 0.066 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001754459256 1188857248 /nfs/dbraw/zinc/85/72/48/1188857248.db2.gz TWUDKOZBABDFET-MRXNPFEDSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CC(=C)C)C1 ZINC001754754619 1188922795 /nfs/dbraw/zinc/92/27/95/1188922795.db2.gz PTYZXRCPRXKZNU-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CC(=C)C)C1 ZINC001754754619 1188922798 /nfs/dbraw/zinc/92/27/98/1188922798.db2.gz PTYZXRCPRXKZNU-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=C)C)C1 ZINC001754754619 1188922802 /nfs/dbraw/zinc/92/28/02/1188922802.db2.gz PTYZXRCPRXKZNU-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC(=C)C)C1 ZINC001754754619 1188922806 /nfs/dbraw/zinc/92/28/06/1188922806.db2.gz PTYZXRCPRXKZNU-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC(CC)CC)C1 ZINC001754769232 1188931219 /nfs/dbraw/zinc/93/12/19/1188931219.db2.gz RKUZJKMVVNGSTJ-INIZCTEOSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC(CC)CC)C1 ZINC001754769232 1188931222 /nfs/dbraw/zinc/93/12/22/1188931222.db2.gz RKUZJKMVVNGSTJ-INIZCTEOSA-N 2 2 321.465 0.683 20 30 DCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001755628673 1189165414 /nfs/dbraw/zinc/16/54/14/1189165414.db2.gz BNTFGUTXRSGRRJ-SWLSCSKDSA-N 2 2 321.425 0.433 20 30 DCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001755628673 1189165416 /nfs/dbraw/zinc/16/54/16/1189165416.db2.gz BNTFGUTXRSGRRJ-SWLSCSKDSA-N 2 2 321.425 0.433 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755790242 1189214525 /nfs/dbraw/zinc/21/45/25/1189214525.db2.gz FFOOCWBAMFWFRK-GJZGRUSLSA-N 2 2 320.437 0.821 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC001083262307 747513565 /nfs/dbraw/zinc/51/35/65/747513565.db2.gz OBMUDGQLDBAFKY-JKSUJKDBSA-N 2 2 318.421 0.840 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC001083262307 747513567 /nfs/dbraw/zinc/51/35/67/747513567.db2.gz OBMUDGQLDBAFKY-JKSUJKDBSA-N 2 2 318.421 0.840 20 30 DCEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001105365535 748527666 /nfs/dbraw/zinc/52/76/66/748527666.db2.gz YUFWMHSSNDYXOJ-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)CC[N@H+](C)CCC)C2)nn1 ZINC001105365535 748527668 /nfs/dbraw/zinc/52/76/68/748527668.db2.gz YUFWMHSSNDYXOJ-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170755 749277002 /nfs/dbraw/zinc/27/70/02/749277002.db2.gz FHSVNKAGQWJDAO-CABCVRRESA-N 2 2 300.406 0.766 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170755 749277006 /nfs/dbraw/zinc/27/70/06/749277006.db2.gz FHSVNKAGQWJDAO-CABCVRRESA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001168256344 749670245 /nfs/dbraw/zinc/67/02/45/749670245.db2.gz QAGUAILNGUTCOG-INIZCTEOSA-N 2 2 319.449 0.607 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251894 750296691 /nfs/dbraw/zinc/29/66/91/750296691.db2.gz UJRIQRBMUPARKR-FVQBIDKESA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251894 750296693 /nfs/dbraw/zinc/29/66/93/750296693.db2.gz UJRIQRBMUPARKR-FVQBIDKESA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584059 750415948 /nfs/dbraw/zinc/41/59/48/750415948.db2.gz DKLXJFGJJVQMFV-MAZHCROVSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584059 750415950 /nfs/dbraw/zinc/41/59/50/750415950.db2.gz DKLXJFGJJVQMFV-MAZHCROVSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584059 750415954 /nfs/dbraw/zinc/41/59/54/750415954.db2.gz DKLXJFGJJVQMFV-MAZHCROVSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584059 750415956 /nfs/dbraw/zinc/41/59/56/750415956.db2.gz DKLXJFGJJVQMFV-MAZHCROVSA-N 2 2 318.421 0.560 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733650 751214296 /nfs/dbraw/zinc/21/42/96/751214296.db2.gz XXAVHYAGYRLTFS-KGLIPLIRSA-N 2 2 305.378 0.139 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089969276 753291623 /nfs/dbraw/zinc/29/16/23/753291623.db2.gz RSUMGAVQNOYFOA-MRXNPFEDSA-N 2 2 319.449 0.703 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089969276 753291631 /nfs/dbraw/zinc/29/16/31/753291631.db2.gz RSUMGAVQNOYFOA-MRXNPFEDSA-N 2 2 319.449 0.703 20 30 DCEDLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C ZINC001046032179 753436354 /nfs/dbraw/zinc/43/63/54/753436354.db2.gz FMGWMOFYBQPTDO-BZUAXINKSA-N 2 2 319.453 0.069 20 30 DCEDLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046032179 753436356 /nfs/dbraw/zinc/43/63/56/753436356.db2.gz FMGWMOFYBQPTDO-BZUAXINKSA-N 2 2 319.453 0.069 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567395 753796496 /nfs/dbraw/zinc/79/64/96/753796496.db2.gz IOEIAFKVPUGMEK-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567395 753796500 /nfs/dbraw/zinc/79/65/00/753796500.db2.gz IOEIAFKVPUGMEK-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567395 753796505 /nfs/dbraw/zinc/79/65/05/753796505.db2.gz IOEIAFKVPUGMEK-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567395 753796507 /nfs/dbraw/zinc/79/65/07/753796507.db2.gz IOEIAFKVPUGMEK-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483159 754322971 /nfs/dbraw/zinc/32/29/71/754322971.db2.gz ZCBYSMNXNUWOAF-GJZGRUSLSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047483159 754322974 /nfs/dbraw/zinc/32/29/74/754322974.db2.gz ZCBYSMNXNUWOAF-GJZGRUSLSA-N 2 2 307.438 0.388 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129064346 754506252 /nfs/dbraw/zinc/50/62/52/754506252.db2.gz AGUPTNPPBVEKNJ-MCIONIFRSA-N 2 2 306.414 0.146 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129064346 754506255 /nfs/dbraw/zinc/50/62/55/754506255.db2.gz AGUPTNPPBVEKNJ-MCIONIFRSA-N 2 2 306.414 0.146 20 30 DCEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](O)C1 ZINC001090262918 754838697 /nfs/dbraw/zinc/83/86/97/754838697.db2.gz APDVRBUOOZLBLZ-LSDHHAIUSA-N 2 2 314.389 0.994 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](O)C1 ZINC001090262918 754838701 /nfs/dbraw/zinc/83/87/01/754838701.db2.gz APDVRBUOOZLBLZ-LSDHHAIUSA-N 2 2 314.389 0.994 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001096585992 755436891 /nfs/dbraw/zinc/43/68/91/755436891.db2.gz GKRJRCYRYJAQKW-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001096585992 755436892 /nfs/dbraw/zinc/43/68/92/755436892.db2.gz GKRJRCYRYJAQKW-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096585992 755436893 /nfs/dbraw/zinc/43/68/93/755436893.db2.gz GKRJRCYRYJAQKW-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096585992 755436894 /nfs/dbraw/zinc/43/68/94/755436894.db2.gz GKRJRCYRYJAQKW-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC001090307363 755491407 /nfs/dbraw/zinc/49/14/07/755491407.db2.gz OKNJNNMJPYRDQQ-ZIAGYGMSSA-N 2 2 321.446 0.608 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC001090307363 755491409 /nfs/dbraw/zinc/49/14/09/755491409.db2.gz OKNJNNMJPYRDQQ-ZIAGYGMSSA-N 2 2 321.446 0.608 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](C(C)C)C2)O1 ZINC001053609418 756117761 /nfs/dbraw/zinc/11/77/61/756117761.db2.gz ALLSMCFCCQFWQZ-HOTGVXAUSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC2(C[NH+](C(C)C)C2)O1 ZINC001053609418 756117765 /nfs/dbraw/zinc/11/77/65/756117765.db2.gz ALLSMCFCCQFWQZ-HOTGVXAUSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 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TUAWNQPNIRSLSB-HZSPNIEDSA-N 2 2 304.394 0.762 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867025 756826261 /nfs/dbraw/zinc/82/62/61/756826261.db2.gz CGQOFJQXWKJJKH-FVQBIDKESA-N 2 2 318.421 0.837 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867025 756826267 /nfs/dbraw/zinc/82/62/67/756826267.db2.gz CGQOFJQXWKJJKH-FVQBIDKESA-N 2 2 318.421 0.837 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867026 756826681 /nfs/dbraw/zinc/82/66/81/756826681.db2.gz CGQOFJQXWKJJKH-NUEKZKHPSA-N 2 2 318.421 0.837 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867026 756826689 /nfs/dbraw/zinc/82/66/89/756826689.db2.gz CGQOFJQXWKJJKH-NUEKZKHPSA-N 2 2 318.421 0.837 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138194 756935202 /nfs/dbraw/zinc/93/52/02/756935202.db2.gz SJFSTBWMYDGMCG-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138194 756935204 /nfs/dbraw/zinc/93/52/04/756935204.db2.gz SJFSTBWMYDGMCG-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138194 756935208 /nfs/dbraw/zinc/93/52/08/756935208.db2.gz SJFSTBWMYDGMCG-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138194 756935211 /nfs/dbraw/zinc/93/52/11/756935211.db2.gz SJFSTBWMYDGMCG-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006984 757271642 /nfs/dbraw/zinc/27/16/42/757271642.db2.gz VEIMFEKWCFHTQG-ARFHVFGLSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006984 757271648 /nfs/dbraw/zinc/27/16/48/757271648.db2.gz VEIMFEKWCFHTQG-ARFHVFGLSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006984 757271653 /nfs/dbraw/zinc/27/16/53/757271653.db2.gz VEIMFEKWCFHTQG-ARFHVFGLSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006984 757271660 /nfs/dbraw/zinc/27/16/60/757271660.db2.gz VEIMFEKWCFHTQG-ARFHVFGLSA-N 2 2 305.422 0.263 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001082934236 757335410 /nfs/dbraw/zinc/33/54/10/757335410.db2.gz FEOATQGAWMNVPR-BMFZPTHFSA-N 2 2 307.438 0.720 20 30 DCEDLP CC#CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001050731212 758011805 /nfs/dbraw/zinc/01/18/05/758011805.db2.gz YKEFBBNSNBFCKB-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036148 759131408 /nfs/dbraw/zinc/13/14/08/759131408.db2.gz GKBRGRXGWUEYIQ-INIZCTEOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036148 759131411 /nfs/dbraw/zinc/13/14/11/759131411.db2.gz GKBRGRXGWUEYIQ-INIZCTEOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086408516 760151649 /nfs/dbraw/zinc/15/16/49/760151649.db2.gz SRXSNZRRZCIMKV-MGPQQGTHSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086408516 760151657 /nfs/dbraw/zinc/15/16/57/760151657.db2.gz SRXSNZRRZCIMKV-MGPQQGTHSA-N 2 2 300.406 0.941 20 30 DCEDLP COc1nc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)c1C#N ZINC001169074592 760574629 /nfs/dbraw/zinc/57/46/29/760574629.db2.gz SZHAGBQOCAKACM-LLVKDONJSA-N 2 2 301.350 0.627 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108551834 760862944 /nfs/dbraw/zinc/86/29/44/760862944.db2.gz CKJVHUSBFGXBKK-UKRRQHHQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109395 761087313 /nfs/dbraw/zinc/08/73/13/761087313.db2.gz VFLDPRWHZXJTLP-KGLIPLIRSA-N 2 2 315.381 0.092 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109395 761087324 /nfs/dbraw/zinc/08/73/24/761087324.db2.gz VFLDPRWHZXJTLP-KGLIPLIRSA-N 2 2 315.381 0.092 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843071 761575960 /nfs/dbraw/zinc/57/59/60/761575960.db2.gz AQHNSDWQVYFFCF-IKGGRYGDSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843071 761575963 /nfs/dbraw/zinc/57/59/63/761575963.db2.gz AQHNSDWQVYFFCF-IKGGRYGDSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001112563135 761694086 /nfs/dbraw/zinc/69/40/86/761694086.db2.gz HGZHNZAZFPSTHY-YOEHRIQHSA-N 2 2 300.406 0.814 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071225883 761723302 /nfs/dbraw/zinc/72/33/02/761723302.db2.gz RHAVRYCHTLRJAA-PBHICJAKSA-N 2 2 316.405 0.288 20 30 DCEDLP 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ZINC001411167797 947427169 /nfs/dbraw/zinc/42/71/69/947427169.db2.gz PVGMUARHRLONAN-QWHCGFSZSA-N 2 2 303.834 0.584 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001411167797 947427171 /nfs/dbraw/zinc/42/71/71/947427171.db2.gz PVGMUARHRLONAN-QWHCGFSZSA-N 2 2 303.834 0.584 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001411167797 947427177 /nfs/dbraw/zinc/42/71/77/947427177.db2.gz PVGMUARHRLONAN-QWHCGFSZSA-N 2 2 303.834 0.584 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001411167797 947427183 /nfs/dbraw/zinc/42/71/83/947427183.db2.gz PVGMUARHRLONAN-QWHCGFSZSA-N 2 2 303.834 0.584 20 30 DCEDLP C#CCN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273784775 948091980 /nfs/dbraw/zinc/09/19/80/948091980.db2.gz IHUNNATVCMOXJP-INIZCTEOSA-N 2 2 300.362 0.357 20 30 DCEDLP C#CCN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273784775 948091989 /nfs/dbraw/zinc/09/19/89/948091989.db2.gz IHUNNATVCMOXJP-INIZCTEOSA-N 2 2 300.362 0.357 20 30 DCEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001326301250 948123940 /nfs/dbraw/zinc/12/39/40/948123940.db2.gz BBESDCFVVFTBMF-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001327037426 948375034 /nfs/dbraw/zinc/37/50/34/948375034.db2.gz ZEYOFCPRTHJATD-BFHYXJOUSA-N 2 2 304.394 0.527 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273885803 948654986 /nfs/dbraw/zinc/65/49/86/948654986.db2.gz SBDVGLQRYOLVQB-GOEBONIOSA-N 2 2 304.394 0.354 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273885803 948654990 /nfs/dbraw/zinc/65/49/90/948654990.db2.gz SBDVGLQRYOLVQB-GOEBONIOSA-N 2 2 304.394 0.354 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001328543764 948955351 /nfs/dbraw/zinc/95/53/51/948955351.db2.gz YGJYVDRMFZWNLK-UHFFFAOYSA-N 2 2 318.421 0.319 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001264480257 948982408 /nfs/dbraw/zinc/98/24/08/948982408.db2.gz PWZBSJCFEGVJSQ-QWHCGFSZSA-N 2 2 319.409 0.129 20 30 DCEDLP C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001279421910 950568064 /nfs/dbraw/zinc/56/80/64/950568064.db2.gz AGFKWLUILJKORO-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001280691017 951038583 /nfs/dbraw/zinc/03/85/83/951038583.db2.gz HSNIDGZCOFXPEI-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001332006624 951432827 /nfs/dbraw/zinc/43/28/27/951432827.db2.gz FFXTXQIIHVAMKZ-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001332528605 951681654 /nfs/dbraw/zinc/68/16/54/951681654.db2.gz JBXMSVNQGIAZSC-GOEBONIOSA-N 2 2 320.437 0.821 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001274565342 951702181 /nfs/dbraw/zinc/70/21/81/951702181.db2.gz JYPNARHFLNEPJR-AWEZNQCLSA-N 2 2 304.394 0.411 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335425910 952534577 /nfs/dbraw/zinc/53/45/77/952534577.db2.gz JTXLTUZBVRZAGU-KRWDZBQOSA-N 2 2 303.406 0.515 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335425910 952534582 /nfs/dbraw/zinc/53/45/82/952534582.db2.gz JTXLTUZBVRZAGU-KRWDZBQOSA-N 2 2 303.406 0.515 20 30 DCEDLP [NH3+]C1CC[NH+](CCNC(=O)NCC#Cc2ccccc2)CC1 ZINC001336749588 952760664 /nfs/dbraw/zinc/76/06/64/952760664.db2.gz ZTTAEXKYUPBNJR-UHFFFAOYSA-N 2 2 300.406 0.760 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001366573403 954444903 /nfs/dbraw/zinc/44/49/03/954444903.db2.gz HRRRDQUYONTVOU-UHFFFAOYSA-N 2 2 313.833 0.859 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001366573403 954444905 /nfs/dbraw/zinc/44/49/05/954444905.db2.gz HRRRDQUYONTVOU-UHFFFAOYSA-N 2 2 313.833 0.859 20 30 DCEDLP N#Cc1cnn2cc(C[NH2+]CCC[NH+]3CCC(O)CC3)cnc12 ZINC001349398520 954737938 /nfs/dbraw/zinc/73/79/38/954737938.db2.gz MGLKTICHOHQIIM-UHFFFAOYSA-N 2 2 314.393 0.537 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001349838751 954902614 /nfs/dbraw/zinc/90/26/14/954902614.db2.gz JPEOKPKAPGKWOM-AUZPSNTRSA-N 2 2 309.410 0.326 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OCC ZINC001316691371 960044150 /nfs/dbraw/zinc/04/41/50/960044150.db2.gz DDTPKEHCDREDFP-GDBMZVCRSA-N 2 2 318.421 0.439 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001447712478 1013511279 /nfs/dbraw/zinc/51/12/79/1013511279.db2.gz MSGBJSQTAYYDSE-ZDUSSCGKSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001447712478 1013511288 /nfs/dbraw/zinc/51/12/88/1013511288.db2.gz MSGBJSQTAYYDSE-ZDUSSCGKSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001381921680 966781564 /nfs/dbraw/zinc/78/15/64/966781564.db2.gz CGBZNTFXSFASOB-WCQYABFASA-N 2 2 312.801 0.910 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001401540910 1000478106 /nfs/dbraw/zinc/47/81/06/1000478106.db2.gz OSRVQUKZRVTBSQ-LBPRGKRZSA-N 2 2 314.817 0.746 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507658005 1016514320 /nfs/dbraw/zinc/51/43/20/1016514320.db2.gz VKFPIPGFGMPGDE-CYBMUJFWSA-N 2 2 300.362 0.561 20 30 DCEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507658005 1016514324 /nfs/dbraw/zinc/51/43/24/1016514324.db2.gz VKFPIPGFGMPGDE-CYBMUJFWSA-N 2 2 300.362 0.561 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001423793446 1011558664 /nfs/dbraw/zinc/55/86/64/1011558664.db2.gz OWYHXJSCZCVCSB-AWEZNQCLSA-N 2 2 303.834 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001423793446 1011558676 /nfs/dbraw/zinc/55/86/76/1011558676.db2.gz OWYHXJSCZCVCSB-AWEZNQCLSA-N 2 2 303.834 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001423793446 1011558688 /nfs/dbraw/zinc/55/86/88/1011558688.db2.gz OWYHXJSCZCVCSB-AWEZNQCLSA-N 2 2 303.834 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CCC)C1 ZINC001423793446 1011558700 /nfs/dbraw/zinc/55/87/00/1011558700.db2.gz OWYHXJSCZCVCSB-AWEZNQCLSA-N 2 2 303.834 0.634 20 30 DCEDLP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001506974895 1017727300 /nfs/dbraw/zinc/72/73/00/1017727300.db2.gz HPCGERKYKPKTPV-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001506974895 1017727323 /nfs/dbraw/zinc/72/73/23/1017727323.db2.gz HPCGERKYKPKTPV-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001480062542 1018175729 /nfs/dbraw/zinc/17/57/29/1018175729.db2.gz KKXGWRFVWFNUJU-MRXNPFEDSA-N 2 2 318.421 0.487 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)Cn2cc[nH+]c2)C1=O ZINC001497506382 1018177326 /nfs/dbraw/zinc/17/73/26/1018177326.db2.gz OXVXFEDGKGEFKK-CQSZACIVSA-N 2 2 319.409 0.108 20 30 DCEDLP CC[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC#CCOC ZINC001495012587 1018234544 /nfs/dbraw/zinc/23/45/44/1018234544.db2.gz NMLBZCWRVTWOSE-LSDHHAIUSA-N 2 2 318.421 0.580 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001480333557 1018440832 /nfs/dbraw/zinc/44/08/32/1018440832.db2.gz ZRNNTPGEKUZDQT-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001480333557 1018440838 /nfs/dbraw/zinc/44/08/38/1018440838.db2.gz ZRNNTPGEKUZDQT-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001500594121 1018506110 /nfs/dbraw/zinc/50/61/10/1018506110.db2.gz CNRVOWSSGDXQHE-UHFFFAOYSA-N 2 2 304.394 0.241 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001495855561 1018770169 /nfs/dbraw/zinc/77/01/69/1018770169.db2.gz GCBAFRRIBRWSJK-OAHLLOKOSA-N 2 2 322.409 0.211 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001495855561 1018770177 /nfs/dbraw/zinc/77/01/77/1018770177.db2.gz GCBAFRRIBRWSJK-OAHLLOKOSA-N 2 2 322.409 0.211 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001498299153 1018919394 /nfs/dbraw/zinc/91/93/94/1018919394.db2.gz KAEOMRHIWWQKSJ-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001498299153 1018919408 /nfs/dbraw/zinc/91/94/08/1018919408.db2.gz KAEOMRHIWWQKSJ-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001498299153 1018919422 /nfs/dbraw/zinc/91/94/22/1018919422.db2.gz KAEOMRHIWWQKSJ-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001498299153 1018919438 /nfs/dbraw/zinc/91/94/38/1018919438.db2.gz KAEOMRHIWWQKSJ-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCC[NH2+]CCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001501465741 1019203437 /nfs/dbraw/zinc/20/34/37/1019203437.db2.gz HJCBSFBBEDZXAX-UHFFFAOYSA-N 2 2 300.362 0.610 20 30 DCEDLP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498571487 1019239166 /nfs/dbraw/zinc/23/91/66/1019239166.db2.gz IVDVCZJJCYTGOK-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cnccn1 ZINC001493580626 1019536448 /nfs/dbraw/zinc/53/64/48/1019536448.db2.gz WAZHQKOVOBSAHK-HOCLYGCPSA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1cnccn1 ZINC001493580626 1019536462 /nfs/dbraw/zinc/53/64/62/1019536462.db2.gz WAZHQKOVOBSAHK-HOCLYGCPSA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)c1ccccc1 ZINC001493904893 1019802957 /nfs/dbraw/zinc/80/29/57/1019802957.db2.gz JTLGEPAAMQXYKJ-SJORKVTESA-N 2 2 315.417 0.787 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1ccccc1 ZINC001493904893 1019802981 /nfs/dbraw/zinc/80/29/81/1019802981.db2.gz JTLGEPAAMQXYKJ-SJORKVTESA-N 2 2 315.417 0.787 20 30 DCEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CC[NH+](CCO)CC1 ZINC000357643703 529826064 /nfs/dbraw/zinc/82/60/64/529826064.db2.gz AODFDZAAEDCDSJ-UHFFFAOYSA-N 2 2 321.425 0.031 20 30 DCEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CC[NH+](CCO)CC1 ZINC000357643703 529826066 /nfs/dbraw/zinc/82/60/66/529826066.db2.gz AODFDZAAEDCDSJ-UHFFFAOYSA-N 2 2 321.425 0.031 20 30 DCEDLP Cc1[nH+]ccn1CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264071797 238187727 /nfs/dbraw/zinc/18/77/27/238187727.db2.gz DLJJAKVSWKFQHD-UHFFFAOYSA-N 3 2 308.430 0.208 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](COC)C1 ZINC000088237304 395707462 /nfs/dbraw/zinc/70/74/62/395707462.db2.gz AXFXBNNOIYIFEI-LBPRGKRZSA-N 2 2 308.430 0.530 20 30 DCEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926441 395716630 /nfs/dbraw/zinc/71/66/30/395716630.db2.gz WKTVFPTXUNNFFT-AWEZNQCLSA-N 2 2 318.425 0.550 20 30 DCEDLP C=CCNC(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000182266125 396248931 /nfs/dbraw/zinc/24/89/31/396248931.db2.gz RRABISABCXBXID-UHFFFAOYSA-N 2 2 309.333 0.925 20 30 DCEDLP CN(c1cc(C#N)cnn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596122764 396720645 /nfs/dbraw/zinc/72/06/45/396720645.db2.gz CSTZUCIUQRVQAY-HNNXBMFYSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1cc(C#N)cnn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596122764 396720649 /nfs/dbraw/zinc/72/06/49/396720649.db2.gz CSTZUCIUQRVQAY-HNNXBMFYSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1cc(C#N)ncn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000617952636 396884165 /nfs/dbraw/zinc/88/41/65/396884165.db2.gz GJRDLSQLLMQDOQ-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1cc(C#N)ncn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000617952636 396884169 /nfs/dbraw/zinc/88/41/69/396884169.db2.gz GJRDLSQLLMQDOQ-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP Cc1cccn2cc(CC[NH2+]C[C@@H](O)CN(C)CCC#N)[nH+]c12 ZINC000591748359 396995845 /nfs/dbraw/zinc/99/58/45/396995845.db2.gz WFNJDWOISFWMAS-MRXNPFEDSA-N 2 2 315.421 0.981 20 30 DCEDLP C[NH+](C)CC1(C(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000602087744 397297080 /nfs/dbraw/zinc/29/70/80/397297080.db2.gz YAWIQUIZSNFICB-UHFFFAOYSA-N 2 2 308.426 0.403 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)CC1 ZINC000491181698 397501440 /nfs/dbraw/zinc/50/14/40/397501440.db2.gz VPQUMYDBHSSJMS-DLBZAZTESA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)CC1 ZINC000491181698 397501441 /nfs/dbraw/zinc/50/14/41/397501441.db2.gz VPQUMYDBHSSJMS-DLBZAZTESA-N 2 2 321.465 0.779 20 30 DCEDLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355408847 296644136 /nfs/dbraw/zinc/64/41/36/296644136.db2.gz KLXSILFSIXWHHX-HZPDHXFCSA-N 2 2 322.453 0.934 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131708207 415929447 /nfs/dbraw/zinc/92/94/47/415929447.db2.gz ZNWJXWFYBJSFFJ-OCCSQVGLSA-N 2 2 318.377 0.935 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131708207 415929450 /nfs/dbraw/zinc/92/94/50/415929450.db2.gz ZNWJXWFYBJSFFJ-OCCSQVGLSA-N 2 2 318.377 0.935 20 30 DCEDLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000329572614 416178015 /nfs/dbraw/zinc/17/80/15/416178015.db2.gz NCHLHXADRJASRB-AWEZNQCLSA-N 2 2 318.425 0.915 20 30 DCEDLP O=C(C[N@H+]1CCSC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329658209 416184036 /nfs/dbraw/zinc/18/40/36/416184036.db2.gz NQIXEBRNGHPDJO-AWEZNQCLSA-N 2 2 313.467 0.979 20 30 DCEDLP O=C(C[N@@H+]1CCSC[C@@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329658209 416184040 /nfs/dbraw/zinc/18/40/40/416184040.db2.gz NQIXEBRNGHPDJO-AWEZNQCLSA-N 2 2 313.467 0.979 20 30 DCEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000330283770 416200246 /nfs/dbraw/zinc/20/02/46/416200246.db2.gz WNSDVTRUDAOKEN-INIZCTEOSA-N 2 2 323.485 0.610 20 30 DCEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000330283770 416200249 /nfs/dbraw/zinc/20/02/49/416200249.db2.gz WNSDVTRUDAOKEN-INIZCTEOSA-N 2 2 323.485 0.610 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000329351516 416165734 /nfs/dbraw/zinc/16/57/34/416165734.db2.gz FKJXYPMGFQXKTJ-MRXNPFEDSA-N 2 2 323.485 0.776 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000329351516 416165735 /nfs/dbraw/zinc/16/57/35/416165735.db2.gz FKJXYPMGFQXKTJ-MRXNPFEDSA-N 2 2 323.485 0.776 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)CC2([NH+](C)C)CCC2)CC1 ZINC000490741508 416574845 /nfs/dbraw/zinc/57/48/45/416574845.db2.gz VJPBFZZTGMKIPL-UHFFFAOYSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000491021929 416582808 /nfs/dbraw/zinc/58/28/08/416582808.db2.gz PEILPZHBFUJLOU-QGZVFWFLSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000491021929 416582811 /nfs/dbraw/zinc/58/28/11/416582811.db2.gz PEILPZHBFUJLOU-QGZVFWFLSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000491734600 416620090 /nfs/dbraw/zinc/62/00/90/416620090.db2.gz LLUVVFXZNMEHKR-IAGOWNOFSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491774402 416627349 /nfs/dbraw/zinc/62/73/49/416627349.db2.gz WEBMUZKKCPAZQV-CVEARBPZSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000491774402 416627355 /nfs/dbraw/zinc/62/73/55/416627355.db2.gz WEBMUZKKCPAZQV-CVEARBPZSA-N 2 2 322.453 0.446 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000369671409 416813997 /nfs/dbraw/zinc/81/39/97/416813997.db2.gz HADKANIOAXWVAV-AWEZNQCLSA-N 2 2 304.394 0.647 20 30 DCEDLP C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160035155 276840736 /nfs/dbraw/zinc/84/07/36/276840736.db2.gz HUYPOWZEELETKQ-ZIAGYGMSSA-N 2 2 320.441 0.866 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(CC)CC[N@H+](C)CC=C)CC1 ZINC000491753041 333191397 /nfs/dbraw/zinc/19/13/97/333191397.db2.gz XWAHVRVNUWBIBU-UHFFFAOYSA-N 2 2 306.454 0.204 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(CC)CC[N@@H+](C)CC=C)CC1 ZINC000491753041 333191398 /nfs/dbraw/zinc/19/13/98/333191398.db2.gz XWAHVRVNUWBIBU-UHFFFAOYSA-N 2 2 306.454 0.204 20 30 DCEDLP C[C@@H]1C[C@H](O)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000329951334 336099252 /nfs/dbraw/zinc/09/92/52/336099252.db2.gz CLTYRPHMBQOTJQ-CJNGLKHVSA-N 2 2 324.469 0.914 20 30 DCEDLP C[N@@H+]1CCO[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000330200055 336123478 /nfs/dbraw/zinc/12/34/78/336123478.db2.gz WFFKSANWQRAZPD-JHJVBQTASA-N 2 2 305.382 0.127 20 30 DCEDLP C[N@H+]1CCO[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000330200055 336123479 /nfs/dbraw/zinc/12/34/79/336123479.db2.gz WFFKSANWQRAZPD-JHJVBQTASA-N 2 2 305.382 0.127 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CC[C@]2(CCOC2)C1 ZINC000179198215 526357687 /nfs/dbraw/zinc/35/76/87/526357687.db2.gz YZUAEFXKNSHEPA-KRWDZBQOSA-N 2 2 324.469 0.785 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CC[C@]2(CCOC2)C1 ZINC000179198215 526357696 /nfs/dbraw/zinc/35/76/96/526357696.db2.gz YZUAEFXKNSHEPA-KRWDZBQOSA-N 2 2 324.469 0.785 20 30 DCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1ccnn1C ZINC000262841514 526387430 /nfs/dbraw/zinc/38/74/30/526387430.db2.gz UPDZRRWVENZPBX-UHFFFAOYSA-N 2 2 301.398 0.818 20 30 DCEDLP C#CCC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000363715982 526723567 /nfs/dbraw/zinc/72/35/67/526723567.db2.gz WRRJFBDCZVHWEW-UHFFFAOYSA-N 2 2 319.449 0.845 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001664772372 1174458555 /nfs/dbraw/zinc/45/85/55/1174458555.db2.gz UXMNWQYUNBLEGO-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001664772372 1174458557 /nfs/dbraw/zinc/45/85/57/1174458557.db2.gz UXMNWQYUNBLEGO-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP CC(C)[C@H](CNC(=O)N1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000329847399 546055590 /nfs/dbraw/zinc/05/55/90/546055590.db2.gz PGWNPTVJAZKZKS-AWEZNQCLSA-N 2 2 321.425 0.970 20 30 DCEDLP C=CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682868393 548433172 /nfs/dbraw/zinc/43/31/72/548433172.db2.gz IPKJNHRSYZFUJH-OAHLLOKOSA-N 2 2 324.469 0.999 20 30 DCEDLP C=CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682868393 548433176 /nfs/dbraw/zinc/43/31/76/548433176.db2.gz IPKJNHRSYZFUJH-OAHLLOKOSA-N 2 2 324.469 0.999 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551514 657758252 /nfs/dbraw/zinc/75/82/52/657758252.db2.gz BNRZPUSMPDSQGS-DOTOQJQBSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551514 657758260 /nfs/dbraw/zinc/75/82/60/657758260.db2.gz BNRZPUSMPDSQGS-DOTOQJQBSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551514 657758263 /nfs/dbraw/zinc/75/82/63/657758263.db2.gz BNRZPUSMPDSQGS-DOTOQJQBSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551514 657758272 /nfs/dbraw/zinc/75/82/72/657758272.db2.gz BNRZPUSMPDSQGS-DOTOQJQBSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551517 657760428 /nfs/dbraw/zinc/76/04/28/657760428.db2.gz BNRZPUSMPDSQGS-WBVHZDCISA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551517 657760435 /nfs/dbraw/zinc/76/04/35/657760435.db2.gz BNRZPUSMPDSQGS-WBVHZDCISA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551517 657760439 /nfs/dbraw/zinc/76/04/39/657760439.db2.gz BNRZPUSMPDSQGS-WBVHZDCISA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551517 657760443 /nfs/dbraw/zinc/76/04/43/657760443.db2.gz BNRZPUSMPDSQGS-WBVHZDCISA-N 2 2 307.438 0.818 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947471374 657824278 /nfs/dbraw/zinc/82/42/78/657824278.db2.gz BJCXLTBDWGNSOB-OLZOCXBDSA-N 2 2 304.394 0.952 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001023448943 657875028 /nfs/dbraw/zinc/87/50/28/657875028.db2.gz BVYCIYAFGNAYOD-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000972638262 658139129 /nfs/dbraw/zinc/13/91/29/658139129.db2.gz IHGSCBGTALRWBD-QGZVFWFLSA-N 2 2 318.421 0.842 20 30 DCEDLP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000972638262 658139134 /nfs/dbraw/zinc/13/91/34/658139134.db2.gz IHGSCBGTALRWBD-QGZVFWFLSA-N 2 2 318.421 0.842 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000928652550 662392034 /nfs/dbraw/zinc/39/20/34/662392034.db2.gz CEYBFLOOSDXOGX-KRWDZBQOSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000928652550 662392036 /nfs/dbraw/zinc/39/20/36/662392036.db2.gz CEYBFLOOSDXOGX-KRWDZBQOSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000730125698 663045011 /nfs/dbraw/zinc/04/50/11/663045011.db2.gz QFWYHQXCPABSTE-AWEZNQCLSA-N 2 2 310.442 0.657 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000730125698 663045012 /nfs/dbraw/zinc/04/50/12/663045012.db2.gz QFWYHQXCPABSTE-AWEZNQCLSA-N 2 2 310.442 0.657 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000974755 665969400 /nfs/dbraw/zinc/96/94/00/665969400.db2.gz CNDMSLWFRKJQJD-JKSUJKDBSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030439564 664546449 /nfs/dbraw/zinc/54/64/49/664546449.db2.gz GGUDTSZJZOOUMP-MRXNPFEDSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030439564 664546450 /nfs/dbraw/zinc/54/64/50/664546450.db2.gz GGUDTSZJZOOUMP-MRXNPFEDSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000914083261 664748302 /nfs/dbraw/zinc/74/83/02/664748302.db2.gz PFFNJTLFZZQSTR-CQSZACIVSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997979265 665381895 /nfs/dbraw/zinc/38/18/95/665381895.db2.gz VRRMSISQLWHILN-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000997979265 665381896 /nfs/dbraw/zinc/38/18/96/665381896.db2.gz VRRMSISQLWHILN-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997979265 665381899 /nfs/dbraw/zinc/38/18/99/665381899.db2.gz VRRMSISQLWHILN-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997979265 665381901 /nfs/dbraw/zinc/38/19/01/665381901.db2.gz VRRMSISQLWHILN-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC000941639403 666033163 /nfs/dbraw/zinc/03/31/63/666033163.db2.gz RGTKONVNBFYPAC-UHFFFAOYSA-N 2 2 317.437 0.367 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC000941674971 666039084 /nfs/dbraw/zinc/03/90/84/666039084.db2.gz OGUUMKVXLAYUIO-KRWDZBQOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941674971 666039085 /nfs/dbraw/zinc/03/90/85/666039085.db2.gz OGUUMKVXLAYUIO-KRWDZBQOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269027 666656253 /nfs/dbraw/zinc/65/62/53/666656253.db2.gz GOBKJCSHJDEPRX-CQSZACIVSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269027 666656254 /nfs/dbraw/zinc/65/62/54/666656254.db2.gz GOBKJCSHJDEPRX-CQSZACIVSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](CC)OC ZINC001032453505 667275074 /nfs/dbraw/zinc/27/50/74/667275074.db2.gz BYSMBHUHVOWQBY-QAETUUGQSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](CC)OC ZINC001032453505 667275075 /nfs/dbraw/zinc/27/50/75/667275075.db2.gz BYSMBHUHVOWQBY-QAETUUGQSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](CC)OC ZINC001032453505 667275077 /nfs/dbraw/zinc/27/50/77/667275077.db2.gz BYSMBHUHVOWQBY-QAETUUGQSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](CC)OC ZINC001032453505 667275079 /nfs/dbraw/zinc/27/50/79/667275079.db2.gz BYSMBHUHVOWQBY-QAETUUGQSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035389878 667319010 /nfs/dbraw/zinc/31/90/10/667319010.db2.gz RWGOJEHWXKWJNQ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035389878 667319013 /nfs/dbraw/zinc/31/90/13/667319013.db2.gz RWGOJEHWXKWJNQ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389878 667319016 /nfs/dbraw/zinc/31/90/16/667319016.db2.gz RWGOJEHWXKWJNQ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389878 667319019 /nfs/dbraw/zinc/31/90/19/667319019.db2.gz RWGOJEHWXKWJNQ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCC)CCO1 ZINC001035400787 667325431 /nfs/dbraw/zinc/32/54/31/667325431.db2.gz SCHVHIXQYFGTQC-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCC)CCO1 ZINC001035400787 667325434 /nfs/dbraw/zinc/32/54/34/667325434.db2.gz SCHVHIXQYFGTQC-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC)CCO1 ZINC001035400787 667325437 /nfs/dbraw/zinc/32/54/37/667325437.db2.gz SCHVHIXQYFGTQC-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC)CCO1 ZINC001035400787 667325440 /nfs/dbraw/zinc/32/54/40/667325440.db2.gz SCHVHIXQYFGTQC-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035732839 667405286 /nfs/dbraw/zinc/40/52/86/667405286.db2.gz IFHYRPNFRIWTIH-HUUCEWRRSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035732839 667405288 /nfs/dbraw/zinc/40/52/88/667405288.db2.gz IFHYRPNFRIWTIH-HUUCEWRRSA-N 2 2 305.422 0.263 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000884186693 667492808 /nfs/dbraw/zinc/49/28/08/667492808.db2.gz HLBHMLJUJIRXKC-HNNXBMFYSA-N 2 2 323.437 0.956 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000884203341 667497209 /nfs/dbraw/zinc/49/72/09/667497209.db2.gz UPEUSGUWHOHLEW-KGLIPLIRSA-N 2 2 309.410 0.520 20 30 DCEDLP CC1(C)C[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCO1 ZINC000884205957 667498729 /nfs/dbraw/zinc/49/87/29/667498729.db2.gz JPZKWHONXPXVAY-XOYHFGRZSA-N 2 2 320.437 0.353 20 30 DCEDLP CC1(C)C[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCO1 ZINC000884205957 667498730 /nfs/dbraw/zinc/49/87/30/667498730.db2.gz JPZKWHONXPXVAY-XOYHFGRZSA-N 2 2 320.437 0.353 20 30 DCEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923413970 667530034 /nfs/dbraw/zinc/53/00/34/667530034.db2.gz SLSNVDDIMXDEGM-MRXNPFEDSA-N 2 2 319.405 0.344 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000884461009 667549369 /nfs/dbraw/zinc/54/93/69/667549369.db2.gz RCFKEAQKQVLPAB-AWEZNQCLSA-N 2 2 323.437 0.767 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000890364728 668120883 /nfs/dbraw/zinc/12/08/83/668120883.db2.gz HGABXAVRYUKMTK-JYJNAYRXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000890364728 668120885 /nfs/dbraw/zinc/12/08/85/668120885.db2.gz HGABXAVRYUKMTK-JYJNAYRXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000890364728 668120887 /nfs/dbraw/zinc/12/08/87/668120887.db2.gz HGABXAVRYUKMTK-JYJNAYRXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000890364728 668120891 /nfs/dbraw/zinc/12/08/91/668120891.db2.gz HGABXAVRYUKMTK-JYJNAYRXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000890364731 668121394 /nfs/dbraw/zinc/12/13/94/668121394.db2.gz HGABXAVRYUKMTK-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000890364731 668121396 /nfs/dbraw/zinc/12/13/96/668121396.db2.gz HGABXAVRYUKMTK-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000890364731 668121397 /nfs/dbraw/zinc/12/13/97/668121397.db2.gz HGABXAVRYUKMTK-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000890364731 668121398 /nfs/dbraw/zinc/12/13/98/668121398.db2.gz HGABXAVRYUKMTK-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@H](CC)C[NH+]2CCOCC2)CC1 ZINC000925614669 668336421 /nfs/dbraw/zinc/33/64/21/668336421.db2.gz ZTCDNBWPVNLGFB-OAHLLOKOSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000771655520 668747337 /nfs/dbraw/zinc/74/73/37/668747337.db2.gz ASBXGZZDXZWLNS-HOTGVXAUSA-N 2 2 306.454 0.226 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000771655520 668747339 /nfs/dbraw/zinc/74/73/39/668747339.db2.gz ASBXGZZDXZWLNS-HOTGVXAUSA-N 2 2 306.454 0.226 20 30 DCEDLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000931483564 669211031 /nfs/dbraw/zinc/21/10/31/669211031.db2.gz IJQYUWFYCVVAAW-UHFFFAOYSA-N 2 2 316.405 0.885 20 30 DCEDLP C#CC[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000883125297 669652280 /nfs/dbraw/zinc/65/22/80/669652280.db2.gz DWGRSKUMZURXND-KRWDZBQOSA-N 2 2 318.417 0.871 20 30 DCEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000950380894 670012469 /nfs/dbraw/zinc/01/24/69/670012469.db2.gz ATHNYZMGGGGAJE-GOEBONIOSA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950380894 670012475 /nfs/dbraw/zinc/01/24/75/670012475.db2.gz ATHNYZMGGGGAJE-GOEBONIOSA-N 2 2 307.438 0.958 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000948825395 670187955 /nfs/dbraw/zinc/18/79/55/670187955.db2.gz CSJQNFYUUKYYRZ-SJORKVTESA-N 2 2 319.449 0.655 20 30 DCEDLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368702 672177311 /nfs/dbraw/zinc/17/73/11/672177311.db2.gz TWRBMMGHLGEFNW-DLBZAZTESA-N 2 2 303.406 0.980 20 30 DCEDLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368702 672177316 /nfs/dbraw/zinc/17/73/16/672177316.db2.gz TWRBMMGHLGEFNW-DLBZAZTESA-N 2 2 303.406 0.980 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960653479 688431540 /nfs/dbraw/zinc/43/15/40/688431540.db2.gz ZQZAMPYZKFAEDP-WVZRYYJFSA-N 2 2 312.417 0.893 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960653479 688431541 /nfs/dbraw/zinc/43/15/41/688431541.db2.gz ZQZAMPYZKFAEDP-WVZRYYJFSA-N 2 2 312.417 0.893 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960653479 688431545 /nfs/dbraw/zinc/43/15/45/688431545.db2.gz ZQZAMPYZKFAEDP-WVZRYYJFSA-N 2 2 312.417 0.893 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960653479 688431548 /nfs/dbraw/zinc/43/15/48/688431548.db2.gz ZQZAMPYZKFAEDP-WVZRYYJFSA-N 2 2 312.417 0.893 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000961376885 688604694 /nfs/dbraw/zinc/60/46/94/688604694.db2.gz WLCCRBUEUIKOLF-VVLHAWIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000961376885 688604696 /nfs/dbraw/zinc/60/46/96/688604696.db2.gz WLCCRBUEUIKOLF-VVLHAWIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000961376885 688604697 /nfs/dbraw/zinc/60/46/97/688604697.db2.gz WLCCRBUEUIKOLF-VVLHAWIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000961376885 688604699 /nfs/dbraw/zinc/60/46/99/688604699.db2.gz WLCCRBUEUIKOLF-VVLHAWIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000968952588 690433547 /nfs/dbraw/zinc/43/35/47/690433547.db2.gz OEQFTZRALJCJSW-CABCVRRESA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000968952588 690433549 /nfs/dbraw/zinc/43/35/49/690433549.db2.gz OEQFTZRALJCJSW-CABCVRRESA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000968956649 690434838 /nfs/dbraw/zinc/43/48/38/690434838.db2.gz RCWSXRVYJFDWIA-HIFRSBDPSA-N 2 2 318.446 0.931 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cscn2)C1 ZINC000968956649 690434839 /nfs/dbraw/zinc/43/48/39/690434839.db2.gz RCWSXRVYJFDWIA-HIFRSBDPSA-N 2 2 318.446 0.931 20 30 DCEDLP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016929786 692806289 /nfs/dbraw/zinc/80/62/89/692806289.db2.gz GUEIARHNKBSCRO-HNNXBMFYSA-N 2 2 300.406 0.957 20 30 DCEDLP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016929787 692806518 /nfs/dbraw/zinc/80/65/18/692806518.db2.gz GUEIARHNKBSCRO-OAHLLOKOSA-N 2 2 300.406 0.957 20 30 DCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001017847974 692997417 /nfs/dbraw/zinc/99/74/17/692997417.db2.gz WLXSZJRQILSHAB-BBWFWOEESA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001017847974 692997418 /nfs/dbraw/zinc/99/74/18/692997418.db2.gz WLXSZJRQILSHAB-BBWFWOEESA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017847974 692997421 /nfs/dbraw/zinc/99/74/21/692997421.db2.gz WLXSZJRQILSHAB-BBWFWOEESA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017847974 692997423 /nfs/dbraw/zinc/99/74/23/692997423.db2.gz WLXSZJRQILSHAB-BBWFWOEESA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018985942 693306966 /nfs/dbraw/zinc/30/69/66/693306966.db2.gz NBYYYVRAUSSCDA-JSGCOSHPSA-N 2 2 319.434 0.326 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018985942 693306971 /nfs/dbraw/zinc/30/69/71/693306971.db2.gz NBYYYVRAUSSCDA-JSGCOSHPSA-N 2 2 319.434 0.326 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001571392333 1162729746 /nfs/dbraw/zinc/72/97/46/1162729746.db2.gz UXILCTKTUXOXKP-JHJVBQTASA-N 2 2 319.409 0.252 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001571432795 1162750392 /nfs/dbraw/zinc/75/03/92/1162750392.db2.gz VSBJRJHJCCUTNF-AWEZNQCLSA-N 2 2 308.426 0.960 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001571602873 1162848395 /nfs/dbraw/zinc/84/83/95/1162848395.db2.gz OTRHPQYOYPIAET-GJZGRUSLSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001571602873 1162848399 /nfs/dbraw/zinc/84/83/99/1162848399.db2.gz OTRHPQYOYPIAET-GJZGRUSLSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001772514723 1157402222 /nfs/dbraw/zinc/40/22/22/1157402222.db2.gz UTTIPCROPHYKEF-GDBMZVCRSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001571674585 1162888167 /nfs/dbraw/zinc/88/81/67/1162888167.db2.gz GWOBBYYOYUODAS-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC#CCOC)[NH+](CC)CC ZINC001754493471 1157748279 /nfs/dbraw/zinc/74/82/79/1157748279.db2.gz BJIXRZYZCWAIFQ-HZPDHXFCSA-N 2 2 309.454 0.947 20 30 DCEDLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1CC#CCOC)[NH+](CC)CC ZINC001754493471 1157748281 /nfs/dbraw/zinc/74/82/81/1157748281.db2.gz BJIXRZYZCWAIFQ-HZPDHXFCSA-N 2 2 309.454 0.947 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001752944102 1158823462 /nfs/dbraw/zinc/82/34/62/1158823462.db2.gz RTLMPFVMBVPBGU-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001691744886 1159055868 /nfs/dbraw/zinc/05/58/68/1159055868.db2.gz JGLFHCHAOXXZOA-HIFRSBDPSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001691744886 1159055877 /nfs/dbraw/zinc/05/58/77/1159055877.db2.gz JGLFHCHAOXXZOA-HIFRSBDPSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566671294 1160122842 /nfs/dbraw/zinc/12/28/42/1160122842.db2.gz RYHVYBUSFBBRRJ-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566671294 1160122846 /nfs/dbraw/zinc/12/28/46/1160122846.db2.gz RYHVYBUSFBBRRJ-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001567386866 1160341091 /nfs/dbraw/zinc/34/10/91/1160341091.db2.gz OVRMVZPQXHWLIQ-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001567386866 1160341098 /nfs/dbraw/zinc/34/10/98/1160341098.db2.gz OVRMVZPQXHWLIQ-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001569014272 1160918531 /nfs/dbraw/zinc/91/85/31/1160918531.db2.gz UXUMKDPCAADCMB-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001569014272 1160918537 /nfs/dbraw/zinc/91/85/37/1160918537.db2.gz UXUMKDPCAADCMB-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001569310300 1161008538 /nfs/dbraw/zinc/00/85/38/1161008538.db2.gz ZMNQEKNWRCLOBY-GJZGRUSLSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCC=C ZINC001569360917 1161026728 /nfs/dbraw/zinc/02/67/28/1161026728.db2.gz HULIQJUHBPMTLU-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCC=C ZINC001569360917 1161026735 /nfs/dbraw/zinc/02/67/35/1161026735.db2.gz HULIQJUHBPMTLU-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCC=C ZINC001569360917 1161026743 /nfs/dbraw/zinc/02/67/43/1161026743.db2.gz HULIQJUHBPMTLU-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCC=C ZINC001569360917 1161026747 /nfs/dbraw/zinc/02/67/47/1161026747.db2.gz HULIQJUHBPMTLU-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001569828033 1161278187 /nfs/dbraw/zinc/27/81/87/1161278187.db2.gz FJSDLINHKYRLBN-KBPBESRZSA-N 2 2 319.409 0.012 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001570296291 1161554043 /nfs/dbraw/zinc/55/40/43/1161554043.db2.gz YDKCZSXJTCFNDV-KRWDZBQOSA-N 2 2 318.421 0.630 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001656089831 1173838443 /nfs/dbraw/zinc/83/84/43/1173838443.db2.gz XIIXSDABJTUMQH-HNNXBMFYSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001656089831 1173838447 /nfs/dbraw/zinc/83/84/47/1173838447.db2.gz XIIXSDABJTUMQH-HNNXBMFYSA-N 2 2 322.453 0.163 20 30 DCEDLP C=C(C)CC[NH+]1CCN(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001660943126 1174072626 /nfs/dbraw/zinc/07/26/26/1174072626.db2.gz RUYNSWUTSHATNQ-UHFFFAOYSA-N 2 2 305.426 0.652 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001661747641 1174154139 /nfs/dbraw/zinc/15/41/39/1174154139.db2.gz DDDRSSURPZOIRO-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001661747641 1174154146 /nfs/dbraw/zinc/15/41/46/1174154146.db2.gz DDDRSSURPZOIRO-HNNXBMFYSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001661747642 1174154344 /nfs/dbraw/zinc/15/43/44/1174154344.db2.gz DDDRSSURPZOIRO-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001661747642 1174154346 /nfs/dbraw/zinc/15/43/46/1174154346.db2.gz DDDRSSURPZOIRO-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001663508876 1174313011 /nfs/dbraw/zinc/31/30/11/1174313011.db2.gz VBMOOJHTSNPISW-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663508876 1174312995 /nfs/dbraw/zinc/31/29/95/1174312995.db2.gz VBMOOJHTSNPISW-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663508876 1174313000 /nfs/dbraw/zinc/31/30/00/1174313000.db2.gz VBMOOJHTSNPISW-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001663508876 1174313009 /nfs/dbraw/zinc/31/30/09/1174313009.db2.gz VBMOOJHTSNPISW-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001664023709 1174385515 /nfs/dbraw/zinc/38/55/15/1174385515.db2.gz UIKZIMFCHKMSQT-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001666630378 1174616211 /nfs/dbraw/zinc/61/62/11/1174616211.db2.gz VNLOZCZXUZVZFL-KBPBESRZSA-N 2 2 306.410 0.580 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001666630378 1174616214 /nfs/dbraw/zinc/61/62/14/1174616214.db2.gz VNLOZCZXUZVZFL-KBPBESRZSA-N 2 2 306.410 0.580 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001672543292 1175125445 /nfs/dbraw/zinc/12/54/45/1175125445.db2.gz GQFVJPLTFXBGMB-CVEARBPZSA-N 2 2 316.405 0.598 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001672543292 1175125448 /nfs/dbraw/zinc/12/54/48/1175125448.db2.gz GQFVJPLTFXBGMB-CVEARBPZSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001673682586 1175223361 /nfs/dbraw/zinc/22/33/61/1175223361.db2.gz HCIWWIWCLWRVKK-QGZVFWFLSA-N 2 2 318.421 0.319 20 30 DCEDLP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001675110600 1175329076 /nfs/dbraw/zinc/32/90/76/1175329076.db2.gz HRAVUPUZQCYJMR-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001675440684 1175355718 /nfs/dbraw/zinc/35/57/18/1175355718.db2.gz DTFOGPCYDJAKOB-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001675440684 1175355724 /nfs/dbraw/zinc/35/57/24/1175355724.db2.gz DTFOGPCYDJAKOB-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001675440684 1175355727 /nfs/dbraw/zinc/35/57/27/1175355727.db2.gz DTFOGPCYDJAKOB-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001675440684 1175355733 /nfs/dbraw/zinc/35/57/33/1175355733.db2.gz DTFOGPCYDJAKOB-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001675745491 1175389358 /nfs/dbraw/zinc/38/93/58/1175389358.db2.gz IFJCLWIRXUZFTN-XJKCOSOUSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001675745491 1175389360 /nfs/dbraw/zinc/38/93/60/1175389360.db2.gz IFJCLWIRXUZFTN-XJKCOSOUSA-N 2 2 315.421 0.908 20 30 DCEDLP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001676744336 1175485295 /nfs/dbraw/zinc/48/52/95/1175485295.db2.gz YXEZFMUWVBRFEK-CHWSQXEVSA-N 2 2 304.394 0.952 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691985537 1177397197 /nfs/dbraw/zinc/39/71/97/1177397197.db2.gz WYGWBGQVIBVQRJ-AWEZNQCLSA-N 2 2 304.394 0.382 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691985537 1177397204 /nfs/dbraw/zinc/39/72/04/1177397204.db2.gz WYGWBGQVIBVQRJ-AWEZNQCLSA-N 2 2 304.394 0.382 20 30 DCEDLP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC#CCOC ZINC001698604535 1177579309 /nfs/dbraw/zinc/57/93/09/1177579309.db2.gz KYKAZKBWHUTYAV-LSDHHAIUSA-N 2 2 318.421 0.580 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001699048671 1177798571 /nfs/dbraw/zinc/79/85/71/1177798571.db2.gz JNOOABHPRLQTEI-DZGCQCFKSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001699656284 1178240685 /nfs/dbraw/zinc/24/06/85/1178240685.db2.gz XMONNWYVVJMUEC-AWEZNQCLSA-N 2 2 318.421 0.887 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001699741432 1178272339 /nfs/dbraw/zinc/27/23/39/1178272339.db2.gz UNMMUKUFJWDHPQ-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001699997955 1178415698 /nfs/dbraw/zinc/41/56/98/1178415698.db2.gz DMNRHSOGBFJORF-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001699997955 1178415703 /nfs/dbraw/zinc/41/57/03/1178415703.db2.gz DMNRHSOGBFJORF-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001700174533 1178517491 /nfs/dbraw/zinc/51/74/91/1178517491.db2.gz GRLMOGXZYGENOM-INIZCTEOSA-N 2 2 308.470 0.731 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001700174533 1178517495 /nfs/dbraw/zinc/51/74/95/1178517495.db2.gz GRLMOGXZYGENOM-INIZCTEOSA-N 2 2 308.470 0.731 20 30 DCEDLP C=CCCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001700339497 1178588450 /nfs/dbraw/zinc/58/84/50/1178588450.db2.gz WRGSZTCGIWEOMG-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001713170892 1180706960 /nfs/dbraw/zinc/70/69/60/1180706960.db2.gz RVZYPFGHJHYUAB-AVGNSLFASA-N 2 2 319.409 0.127 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001713170892 1180706962 /nfs/dbraw/zinc/70/69/62/1180706962.db2.gz RVZYPFGHJHYUAB-AVGNSLFASA-N 2 2 319.409 0.127 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001713194500 1180714693 /nfs/dbraw/zinc/71/46/93/1180714693.db2.gz CCDXWIZUTAGZMT-KFWWJZLASA-N 2 2 316.405 0.332 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001713318981 1180765812 /nfs/dbraw/zinc/76/58/12/1180765812.db2.gz SHYYROBNXWUFLE-ZDUSSCGKSA-N 2 2 306.410 0.671 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccnc1 ZINC001713456290 1180835679 /nfs/dbraw/zinc/83/56/79/1180835679.db2.gz JANIWALCCVASTG-INIZCTEOSA-N 2 2 300.406 0.727 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccnc1 ZINC001713456290 1180835690 /nfs/dbraw/zinc/83/56/90/1180835690.db2.gz JANIWALCCVASTG-INIZCTEOSA-N 2 2 300.406 0.727 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccnc1 ZINC001713456290 1180835699 /nfs/dbraw/zinc/83/56/99/1180835699.db2.gz JANIWALCCVASTG-INIZCTEOSA-N 2 2 300.406 0.727 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccnc1 ZINC001713456290 1180835715 /nfs/dbraw/zinc/83/57/15/1180835715.db2.gz JANIWALCCVASTG-INIZCTEOSA-N 2 2 300.406 0.727 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001713812583 1181087835 /nfs/dbraw/zinc/08/78/35/1181087835.db2.gz GXEJHNCMIYEAQG-MRXNPFEDSA-N 2 2 324.469 0.017 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001713812583 1181087840 /nfs/dbraw/zinc/08/78/40/1181087840.db2.gz GXEJHNCMIYEAQG-MRXNPFEDSA-N 2 2 324.469 0.017 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001714404009 1181351354 /nfs/dbraw/zinc/35/13/54/1181351354.db2.gz FTMZTRWPYFHDIV-AWEZNQCLSA-N 2 2 319.405 0.624 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714563179 1181418488 /nfs/dbraw/zinc/41/84/88/1181418488.db2.gz BZEONSUIEANSRS-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714563179 1181418492 /nfs/dbraw/zinc/41/84/92/1181418492.db2.gz BZEONSUIEANSRS-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001714573127 1181423208 /nfs/dbraw/zinc/42/32/08/1181423208.db2.gz UCIROZHNIXNBKE-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714573127 1181423211 /nfs/dbraw/zinc/42/32/11/1181423211.db2.gz UCIROZHNIXNBKE-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001714573127 1181423215 /nfs/dbraw/zinc/42/32/15/1181423215.db2.gz UCIROZHNIXNBKE-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001714573127 1181423218 /nfs/dbraw/zinc/42/32/18/1181423218.db2.gz UCIROZHNIXNBKE-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](CC)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001715088606 1181684978 /nfs/dbraw/zinc/68/49/78/1181684978.db2.gz NZSJOEWYYMFJLH-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001715480361 1181822755 /nfs/dbraw/zinc/82/27/55/1181822755.db2.gz UKFFQWUDGUXDAW-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnon1 ZINC001715738124 1181968322 /nfs/dbraw/zinc/96/83/22/1181968322.db2.gz BDSKKDCNUFXUHM-AWEZNQCLSA-N 2 2 305.382 0.105 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1cnon1 ZINC001715738124 1181968323 /nfs/dbraw/zinc/96/83/23/1181968323.db2.gz BDSKKDCNUFXUHM-AWEZNQCLSA-N 2 2 305.382 0.105 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716029919 1182153887 /nfs/dbraw/zinc/15/38/87/1182153887.db2.gz VSSYHHXGQADWQG-KGLIPLIRSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716029919 1182153888 /nfs/dbraw/zinc/15/38/88/1182153888.db2.gz VSSYHHXGQADWQG-KGLIPLIRSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716029919 1182153892 /nfs/dbraw/zinc/15/38/92/1182153892.db2.gz VSSYHHXGQADWQG-KGLIPLIRSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001716029919 1182153893 /nfs/dbraw/zinc/15/38/93/1182153893.db2.gz VSSYHHXGQADWQG-KGLIPLIRSA-N 2 2 310.442 0.209 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnc(C)s1 ZINC001716398843 1182374126 /nfs/dbraw/zinc/37/41/26/1182374126.db2.gz LTKJOCYMOVJHCH-YPMHNXCESA-N 2 2 321.450 0.538 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nnc(C)s1 ZINC001716398843 1182374133 /nfs/dbraw/zinc/37/41/33/1182374133.db2.gz LTKJOCYMOVJHCH-YPMHNXCESA-N 2 2 321.450 0.538 20 30 DCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659794 1182485296 /nfs/dbraw/zinc/48/52/96/1182485296.db2.gz GYUCPLAPYFGDET-SJORKVTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659794 1182485302 /nfs/dbraw/zinc/48/53/02/1182485302.db2.gz GYUCPLAPYFGDET-SJORKVTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CC#CCOC)C1 ZINC001716659794 1182485305 /nfs/dbraw/zinc/48/53/05/1182485305.db2.gz GYUCPLAPYFGDET-SJORKVTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CC#CCOC)C1 ZINC001716659794 1182485310 /nfs/dbraw/zinc/48/53/10/1182485310.db2.gz GYUCPLAPYFGDET-SJORKVTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[N@H+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001716831940 1182537676 /nfs/dbraw/zinc/53/76/76/1182537676.db2.gz VEOKZQUJCFOUNJ-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CCC[N@@H+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001716831940 1182537678 /nfs/dbraw/zinc/53/76/78/1182537678.db2.gz VEOKZQUJCFOUNJ-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001716840222 1182542186 /nfs/dbraw/zinc/54/21/86/1182542186.db2.gz VJCKKRDEELUJDI-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001716840222 1182542192 /nfs/dbraw/zinc/54/21/92/1182542192.db2.gz VJCKKRDEELUJDI-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001716840222 1182542197 /nfs/dbraw/zinc/54/21/97/1182542197.db2.gz VJCKKRDEELUJDI-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001716840222 1182542200 /nfs/dbraw/zinc/54/22/00/1182542200.db2.gz VJCKKRDEELUJDI-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716877161 1182556508 /nfs/dbraw/zinc/55/65/08/1182556508.db2.gz XJJKZDJUSREUIL-INIZCTEOSA-N 2 2 306.410 0.983 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001716926401 1182581054 /nfs/dbraw/zinc/58/10/54/1182581054.db2.gz PXTCSMPAFWYFNO-HOCLYGCPSA-N 2 2 306.410 0.963 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001716926401 1182581058 /nfs/dbraw/zinc/58/10/58/1182581058.db2.gz PXTCSMPAFWYFNO-HOCLYGCPSA-N 2 2 306.410 0.963 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001716946851 1182600026 /nfs/dbraw/zinc/60/00/26/1182600026.db2.gz QPCMYHDCLVMUEM-CYBMUJFWSA-N 2 2 306.410 0.709 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001724223558 1184402479 /nfs/dbraw/zinc/40/24/79/1184402479.db2.gz RTJWFWOOYDDFKR-KRWDZBQOSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001724223558 1184402481 /nfs/dbraw/zinc/40/24/81/1184402481.db2.gz RTJWFWOOYDDFKR-KRWDZBQOSA-N 2 2 318.421 0.820 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001724547668 1184462644 /nfs/dbraw/zinc/46/26/44/1184462644.db2.gz IASYKABJLKXOLF-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001733333266 1186230616 /nfs/dbraw/zinc/23/06/16/1186230616.db2.gz ZTFGCANUENSLBT-ZIAGYGMSSA-N 2 2 304.394 0.571 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001733488693 1186297170 /nfs/dbraw/zinc/29/71/70/1186297170.db2.gz OTIYITGOSYXQFN-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001733488693 1186297176 /nfs/dbraw/zinc/29/71/76/1186297176.db2.gz OTIYITGOSYXQFN-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(C)C[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001733583762 1186342806 /nfs/dbraw/zinc/34/28/06/1186342806.db2.gz YNONYSWJBZSEJC-UHFFFAOYSA-N 2 2 305.426 0.629 20 30 DCEDLP C#CCC[NH2+]CCCOC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001734083092 1186542206 /nfs/dbraw/zinc/54/22/06/1186542206.db2.gz BRCBOXZGBBZZAC-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001734113737 1186548481 /nfs/dbraw/zinc/54/84/81/1186548481.db2.gz RYTIOQNGXZSBNJ-ZDUSSCGKSA-N 2 2 300.406 0.832 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734373349 1186630436 /nfs/dbraw/zinc/63/04/36/1186630436.db2.gz JYSUJVZTCCIHMG-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001734521566 1186675057 /nfs/dbraw/zinc/67/50/57/1186675057.db2.gz KDMWFAKAELKIOS-HZPDHXFCSA-N 2 2 320.437 0.903 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001752374940 1188419307 /nfs/dbraw/zinc/41/93/07/1188419307.db2.gz PQLWOKWBTXMZBG-UHFFFAOYSA-N 2 2 324.469 0.019 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001752639603 1188430829 /nfs/dbraw/zinc/43/08/29/1188430829.db2.gz PMBCCKJBOFDNGQ-RBSFLKMASA-N 2 2 318.421 0.885 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001753892867 1188673355 /nfs/dbraw/zinc/67/33/55/1188673355.db2.gz CZZPPZGXMJANLC-OCCSQVGLSA-N 2 2 319.409 0.129 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315537 1188817919 /nfs/dbraw/zinc/81/79/19/1188817919.db2.gz VYKOWTSYIHDYBK-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001754315537 1188817922 /nfs/dbraw/zinc/81/79/22/1188817922.db2.gz VYKOWTSYIHDYBK-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754330662 1188825271 /nfs/dbraw/zinc/82/52/71/1188825271.db2.gz KGJKLCLSSIVVBW-QWHCGFSZSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754330662 1188825275 /nfs/dbraw/zinc/82/52/75/1188825275.db2.gz KGJKLCLSSIVVBW-QWHCGFSZSA-N 2 2 321.425 0.090 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001755085420 1189016927 /nfs/dbraw/zinc/01/69/27/1189016927.db2.gz FSLPEVDQIJOKQQ-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755794793 1189217549 /nfs/dbraw/zinc/21/75/49/1189217549.db2.gz YKSDTXIVTODMGK-UONOGXRCSA-N 2 2 306.410 0.431 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768513 751612208 /nfs/dbraw/zinc/61/22/08/751612208.db2.gz FDZOYRPUKFQAOG-YUTCNCBUSA-N 2 2 304.394 0.567 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768513 751612216 /nfs/dbraw/zinc/61/22/16/751612216.db2.gz FDZOYRPUKFQAOG-YUTCNCBUSA-N 2 2 304.394 0.567 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011507 751751603 /nfs/dbraw/zinc/75/16/03/751751603.db2.gz DXSMNRKENCKSSX-DJIMGWMZSA-N 2 2 319.449 0.415 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583548 751862409 /nfs/dbraw/zinc/86/24/09/751862409.db2.gz ALOPNGSCBWMFPX-BPLDGKMQSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583548 751862417 /nfs/dbraw/zinc/86/24/17/751862417.db2.gz ALOPNGSCBWMFPX-BPLDGKMQSA-N 2 2 304.394 0.101 20 30 DCEDLP CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098721185 749268381 /nfs/dbraw/zinc/26/83/81/749268381.db2.gz CWNNGKMLRRRMHP-HNNXBMFYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1O ZINC001077159104 750235409 /nfs/dbraw/zinc/23/54/09/750235409.db2.gz ONBAIWNTUBJTPQ-OWCLPIDISA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC001077159104 750235415 /nfs/dbraw/zinc/23/54/15/750235415.db2.gz ONBAIWNTUBJTPQ-OWCLPIDISA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1O ZINC001077159104 750235422 /nfs/dbraw/zinc/23/54/22/750235422.db2.gz ONBAIWNTUBJTPQ-OWCLPIDISA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)(C)C)C[C@H]1O ZINC001077159104 750235428 /nfs/dbraw/zinc/23/54/28/750235428.db2.gz ONBAIWNTUBJTPQ-OWCLPIDISA-N 2 2 321.465 0.682 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065704 753458774 /nfs/dbraw/zinc/45/87/74/753458774.db2.gz CJYYCAAETSKXFY-INIZCTEOSA-N 2 2 315.421 0.194 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065704 753458778 /nfs/dbraw/zinc/45/87/78/753458778.db2.gz CJYYCAAETSKXFY-INIZCTEOSA-N 2 2 315.421 0.194 20 30 DCEDLP C=CCNC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168736967 753991582 /nfs/dbraw/zinc/99/15/82/753991582.db2.gz SVDCRKVPWVLZOX-UHFFFAOYSA-N 2 2 302.382 0.591 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047428867 754273381 /nfs/dbraw/zinc/27/33/81/754273381.db2.gz KUCDHTCEDWFUPX-HOTGVXAUSA-N 2 2 312.373 0.703 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001047428867 754273387 /nfs/dbraw/zinc/27/33/87/754273387.db2.gz KUCDHTCEDWFUPX-HOTGVXAUSA-N 2 2 312.373 0.703 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047524480 754356175 /nfs/dbraw/zinc/35/61/75/754356175.db2.gz HQOXPOPLVGJUJE-QEJZJMRPSA-N 2 2 316.405 0.356 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047524480 754356179 /nfs/dbraw/zinc/35/61/79/754356179.db2.gz HQOXPOPLVGJUJE-QEJZJMRPSA-N 2 2 316.405 0.356 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053926558 756282533 /nfs/dbraw/zinc/28/25/33/756282533.db2.gz IBMUVXZADJZATL-HUUCEWRRSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053926558 756282534 /nfs/dbraw/zinc/28/25/34/756282534.db2.gz IBMUVXZADJZATL-HUUCEWRRSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799326 756812597 /nfs/dbraw/zinc/81/25/97/756812597.db2.gz LVUBOBHWLGYMOL-IXDOHACOSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799326 756812604 /nfs/dbraw/zinc/81/26/04/756812604.db2.gz LVUBOBHWLGYMOL-IXDOHACOSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799326 756812609 /nfs/dbraw/zinc/81/26/09/756812609.db2.gz LVUBOBHWLGYMOL-IXDOHACOSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799326 756812618 /nfs/dbraw/zinc/81/26/18/756812618.db2.gz LVUBOBHWLGYMOL-IXDOHACOSA-N 2 2 319.449 0.842 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081893723 756863345 /nfs/dbraw/zinc/86/33/45/756863345.db2.gz BMSWYRFDAAODAR-HUUCEWRRSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081893723 756863351 /nfs/dbraw/zinc/86/33/51/756863351.db2.gz BMSWYRFDAAODAR-HUUCEWRRSA-N 2 2 305.422 0.454 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063773 756915779 /nfs/dbraw/zinc/91/57/79/756915779.db2.gz GGTJNDHONCIZCH-RBSFLKMASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063773 756915782 /nfs/dbraw/zinc/91/57/82/756915782.db2.gz GGTJNDHONCIZCH-RBSFLKMASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063773 756915786 /nfs/dbraw/zinc/91/57/86/756915786.db2.gz GGTJNDHONCIZCH-RBSFLKMASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](OC)C1 ZINC001082063773 756915790 /nfs/dbraw/zinc/91/57/90/756915790.db2.gz GGTJNDHONCIZCH-RBSFLKMASA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083079550 757479476 /nfs/dbraw/zinc/47/94/76/757479476.db2.gz FGFROTACWHNQQO-HRCADAONSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083079550 757479482 /nfs/dbraw/zinc/47/94/82/757479482.db2.gz FGFROTACWHNQQO-HRCADAONSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083079550 757479487 /nfs/dbraw/zinc/47/94/87/757479487.db2.gz FGFROTACWHNQQO-HRCADAONSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083079550 757479492 /nfs/dbraw/zinc/47/94/92/757479492.db2.gz FGFROTACWHNQQO-HRCADAONSA-N 2 2 307.438 0.957 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834157 758070261 /nfs/dbraw/zinc/07/02/61/758070261.db2.gz NUEACPRTSWGFRH-GVDBMIGSSA-N 2 2 319.449 0.511 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834157 758070277 /nfs/dbraw/zinc/07/02/77/758070277.db2.gz NUEACPRTSWGFRH-GVDBMIGSSA-N 2 2 319.449 0.511 20 30 DCEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082076 759165895 /nfs/dbraw/zinc/16/58/95/759165895.db2.gz JFRWZLGTHRPJAG-HOTGVXAUSA-N 2 2 319.453 0.213 20 30 DCEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082076 759165902 /nfs/dbraw/zinc/16/59/02/759165902.db2.gz JFRWZLGTHRPJAG-HOTGVXAUSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731607 759246426 /nfs/dbraw/zinc/24/64/26/759246426.db2.gz FZYOVMLGDIUNQO-GYMHETDLSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731607 759246434 /nfs/dbraw/zinc/24/64/34/759246434.db2.gz FZYOVMLGDIUNQO-GYMHETDLSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731607 759246441 /nfs/dbraw/zinc/24/64/41/759246441.db2.gz FZYOVMLGDIUNQO-GYMHETDLSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731607 759246450 /nfs/dbraw/zinc/24/64/50/759246450.db2.gz FZYOVMLGDIUNQO-GYMHETDLSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086093643 759707965 /nfs/dbraw/zinc/70/79/65/759707965.db2.gz ZOARUIACGWJTDV-DVOMOZLQSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086093643 759707970 /nfs/dbraw/zinc/70/79/70/759707970.db2.gz ZOARUIACGWJTDV-DVOMOZLQSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086129216 759742312 /nfs/dbraw/zinc/74/23/12/759742312.db2.gz SRXSNZRRZCIMKV-MCIONIFRSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086129216 759742320 /nfs/dbraw/zinc/74/23/20/759742320.db2.gz SRXSNZRRZCIMKV-MCIONIFRSA-N 2 2 300.406 0.941 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)CC2=O)C1 ZINC001108551997 760845681 /nfs/dbraw/zinc/84/56/81/760845681.db2.gz HISGLYVQHSEXMQ-ZDUSSCGKSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)CC2=O)C1 ZINC001108551997 760845690 /nfs/dbraw/zinc/84/56/90/760845690.db2.gz HISGLYVQHSEXMQ-ZDUSSCGKSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446075 761423294 /nfs/dbraw/zinc/42/32/94/761423294.db2.gz JGYBJBXDVCOUDA-BARDWOONSA-N 2 2 322.453 0.350 20 30 DCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109446075 761423297 /nfs/dbraw/zinc/42/32/97/761423297.db2.gz JGYBJBXDVCOUDA-BARDWOONSA-N 2 2 322.453 0.350 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216294 761712280 /nfs/dbraw/zinc/71/22/80/761712280.db2.gz OMHANMUJWJQFOZ-BBRMVZONSA-N 2 2 302.378 0.277 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216294 761712286 /nfs/dbraw/zinc/71/22/86/761712286.db2.gz OMHANMUJWJQFOZ-BBRMVZONSA-N 2 2 302.378 0.277 20 30 DCEDLP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747876 762722010 /nfs/dbraw/zinc/72/20/10/762722010.db2.gz JROWNOLSJIBRNQ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157747876 762722012 /nfs/dbraw/zinc/72/20/12/762722012.db2.gz JROWNOLSJIBRNQ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157747876 762722013 /nfs/dbraw/zinc/72/20/13/762722013.db2.gz JROWNOLSJIBRNQ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157747876 762722015 /nfs/dbraw/zinc/72/20/15/762722015.db2.gz JROWNOLSJIBRNQ-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879615 763096503 /nfs/dbraw/zinc/09/65/03/763096503.db2.gz MYOVBRGDEHJNBM-ZIAGYGMSSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879615 763096517 /nfs/dbraw/zinc/09/65/17/763096517.db2.gz MYOVBRGDEHJNBM-ZIAGYGMSSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879615 763096523 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775706669 /nfs/dbraw/zinc/70/66/69/775706669.db2.gz JXECRSIAGAQGGC-UHFFFAOYSA-N 2 2 306.410 0.914 20 30 DCEDLP C=C(Br)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774097 776119593 /nfs/dbraw/zinc/11/95/93/776119593.db2.gz HRHMPWJNQNCNMB-PJXYFTJBSA-N 2 2 316.243 0.893 20 30 DCEDLP C=C(Br)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774097 776119601 /nfs/dbraw/zinc/11/96/01/776119601.db2.gz HRHMPWJNQNCNMB-PJXYFTJBSA-N 2 2 316.243 0.893 20 30 DCEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001278172308 945167758 /nfs/dbraw/zinc/16/77/58/945167758.db2.gz SXLAPEKQEWRMMB-OAHLLOKOSA-N 2 2 316.405 0.828 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266246816 939025641 /nfs/dbraw/zinc/02/56/41/939025641.db2.gz XDXKCFFERCBVED-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266246816 939025645 /nfs/dbraw/zinc/02/56/45/939025645.db2.gz XDXKCFFERCBVED-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267208523 939387697 /nfs/dbraw/zinc/38/76/97/939387697.db2.gz RLUZYKJQAAFFDW-CQSZACIVSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544957 939496393 /nfs/dbraw/zinc/49/63/93/939496393.db2.gz OHEVYTKNSKEYNX-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544957 939496394 /nfs/dbraw/zinc/49/63/94/939496394.db2.gz OHEVYTKNSKEYNX-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269622613 940744657 /nfs/dbraw/zinc/74/46/57/940744657.db2.gz MCDZIQUVIICTTQ-CXAGYDPISA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001270234234 940862492 /nfs/dbraw/zinc/86/24/92/940862492.db2.gz DJRNOCUMYDIGLR-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001271585848 941406598 /nfs/dbraw/zinc/40/65/98/941406598.db2.gz WLHTWWNUMJBQCI-MRXNPFEDSA-N 2 2 318.421 0.963 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083667083 942442616 /nfs/dbraw/zinc/44/26/16/942442616.db2.gz IZTKLTBBQYUNSM-SJORKVTESA-N 2 2 315.417 0.199 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083667083 942442619 /nfs/dbraw/zinc/44/26/19/942442619.db2.gz IZTKLTBBQYUNSM-SJORKVTESA-N 2 2 315.417 0.199 20 30 DCEDLP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484485924 943424971 /nfs/dbraw/zinc/42/49/71/943424971.db2.gz BMJQAVLDCSSEDE-CQSZACIVSA-N 2 2 306.410 0.432 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001484805669 943583553 /nfs/dbraw/zinc/58/35/53/943583553.db2.gz UHLBZFLVPGEFTI-HUUCEWRRSA-N 2 2 323.437 0.100 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001484805669 943583556 /nfs/dbraw/zinc/58/35/56/943583556.db2.gz UHLBZFLVPGEFTI-HUUCEWRRSA-N 2 2 323.437 0.100 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484848454 943596324 /nfs/dbraw/zinc/59/63/24/943596324.db2.gz LPRHFHBODUQONU-CKEIUWERSA-N 2 2 316.405 0.100 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070752 943681518 /nfs/dbraw/zinc/68/15/18/943681518.db2.gz ZPLCKVMQMIWMBZ-OAHLLOKOSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070752 943681521 /nfs/dbraw/zinc/68/15/21/943681521.db2.gz ZPLCKVMQMIWMBZ-OAHLLOKOSA-N 2 2 304.394 0.525 20 30 DCEDLP C#CCC[NH+]1CCN(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001316971780 944697817 /nfs/dbraw/zinc/69/78/17/944697817.db2.gz HPHPUNWGDHEPBT-UHFFFAOYSA-N 2 2 317.437 0.110 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317081927 944782812 /nfs/dbraw/zinc/78/28/12/944782812.db2.gz UKJHPCFYBIGBFO-KKUMJFAQSA-N 2 2 316.405 0.332 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486339792 944800782 /nfs/dbraw/zinc/80/07/82/944800782.db2.gz AAMVLBHSZBEECF-UONOGXRCSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486339792 944800787 /nfs/dbraw/zinc/80/07/87/944800787.db2.gz AAMVLBHSZBEECF-UONOGXRCSA-N 2 2 306.410 0.383 20 30 DCEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cnn3ccc(C#N)cc13)C2 ZINC001277423439 944815354 /nfs/dbraw/zinc/81/53/54/944815354.db2.gz BUAVUYMOEHLIPM-UHFFFAOYSA-N 2 2 324.432 0.885 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001317259940 944883064 /nfs/dbraw/zinc/88/30/64/944883064.db2.gz UUPMXKHIEUUFRH-WFASDCNBSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001317259940 944883070 /nfs/dbraw/zinc/88/30/70/944883070.db2.gz UUPMXKHIEUUFRH-WFASDCNBSA-N 2 2 318.421 0.983 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531923 945031498 /nfs/dbraw/zinc/03/14/98/945031498.db2.gz GFEIFHIGIBHHEN-CQSZACIVSA-N 2 2 304.394 0.051 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531923 945031512 /nfs/dbraw/zinc/03/15/12/945031512.db2.gz GFEIFHIGIBHHEN-CQSZACIVSA-N 2 2 304.394 0.051 20 30 DCEDLP N#CCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277951509 945057506 /nfs/dbraw/zinc/05/75/06/945057506.db2.gz KRFUGGJNUNCXKF-CVEARBPZSA-N 2 2 303.410 0.962 20 30 DCEDLP N#CCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277951509 945057513 /nfs/dbraw/zinc/05/75/13/945057513.db2.gz KRFUGGJNUNCXKF-CVEARBPZSA-N 2 2 303.410 0.962 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001278676502 945985042 /nfs/dbraw/zinc/98/50/42/945985042.db2.gz HZPCZQARZFPAGN-CYBMUJFWSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278865512 946499396 /nfs/dbraw/zinc/49/93/96/946499396.db2.gz ZRXDIUYBBIERNT-GJZGRUSLSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278865512 946499398 /nfs/dbraw/zinc/49/93/98/946499398.db2.gz ZRXDIUYBBIERNT-GJZGRUSLSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321899164 946506416 /nfs/dbraw/zinc/50/64/16/946506416.db2.gz WUDVUFCOZJDVGE-NSHDSACASA-N 2 2 313.361 0.020 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001411172458 947438060 /nfs/dbraw/zinc/43/80/60/947438060.db2.gz WVCBMRIOHCWJOD-CQSZACIVSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001411172458 947438063 /nfs/dbraw/zinc/43/80/63/947438063.db2.gz WVCBMRIOHCWJOD-CQSZACIVSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001411172458 947438072 /nfs/dbraw/zinc/43/80/72/947438072.db2.gz WVCBMRIOHCWJOD-CQSZACIVSA-N 2 2 317.861 0.974 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)O2 ZINC001273662270 948010361 /nfs/dbraw/zinc/01/03/61/948010361.db2.gz NOFVNXUWULTYPK-INIZCTEOSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001273662270 948010371 /nfs/dbraw/zinc/01/03/71/948010371.db2.gz NOFVNXUWULTYPK-INIZCTEOSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)O2 ZINC001273669531 948015313 /nfs/dbraw/zinc/01/53/13/948015313.db2.gz VRRHXBGLCHLISF-HNNXBMFYSA-N 2 2 316.405 0.564 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264181030 948923418 /nfs/dbraw/zinc/92/34/18/948923418.db2.gz ZCCMQRLXZZLZHL-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264181030 948923425 /nfs/dbraw/zinc/92/34/25/948923425.db2.gz ZCCMQRLXZZLZHL-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264181030 948923437 /nfs/dbraw/zinc/92/34/37/948923437.db2.gz ZCCMQRLXZZLZHL-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264181030 948923443 /nfs/dbraw/zinc/92/34/43/948923443.db2.gz ZCCMQRLXZZLZHL-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380092 948948155 /nfs/dbraw/zinc/94/81/55/948948155.db2.gz CRJIGYHJFZTHME-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380092 948948170 /nfs/dbraw/zinc/94/81/70/948948170.db2.gz CRJIGYHJFZTHME-GJZGRUSLSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001264635962 949051211 /nfs/dbraw/zinc/05/12/11/949051211.db2.gz KWTHMXPVZWKSOU-CQSZACIVSA-N 2 2 304.394 0.179 20 30 DCEDLP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001264635962 949051231 /nfs/dbraw/zinc/05/12/31/949051231.db2.gz KWTHMXPVZWKSOU-CQSZACIVSA-N 2 2 304.394 0.179 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)CC[NH+](C)C)C2 ZINC001264748477 949098586 /nfs/dbraw/zinc/09/85/86/949098586.db2.gz RJYHRCCNBXZVOG-UHFFFAOYSA-N 2 2 306.435 0.702 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001265414190 949664636 /nfs/dbraw/zinc/66/46/36/949664636.db2.gz DFKWZPPFPJIRLB-IYBDPMFKSA-N 2 2 317.433 0.407 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001265414190 949664651 /nfs/dbraw/zinc/66/46/51/949664651.db2.gz DFKWZPPFPJIRLB-IYBDPMFKSA-N 2 2 317.433 0.407 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265446780 949691546 /nfs/dbraw/zinc/69/15/46/949691546.db2.gz QLIVVGOHTDJYKM-RRFJBIMHSA-N 2 2 316.405 0.364 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001329706018 949797651 /nfs/dbraw/zinc/79/76/51/949797651.db2.gz UBFBXPSHBTVAGQ-UHFFFAOYSA-N 2 2 309.454 0.847 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nc(C)oc1C ZINC001265785607 949943152 /nfs/dbraw/zinc/94/31/52/949943152.db2.gz FHZYMBXPTHZGCJ-LRDDRELGSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nc(C)oc1C ZINC001265785607 949943167 /nfs/dbraw/zinc/94/31/67/949943167.db2.gz FHZYMBXPTHZGCJ-LRDDRELGSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)Cc2cnon2)CC1 ZINC001265978089 950224742 /nfs/dbraw/zinc/22/47/42/950224742.db2.gz AFYBPVDOFRFFEC-UHFFFAOYSA-N 2 2 319.409 0.353 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)Cc2cnon2)CC1 ZINC001265978089 950224755 /nfs/dbraw/zinc/22/47/55/950224755.db2.gz AFYBPVDOFRFFEC-UHFFFAOYSA-N 2 2 319.409 0.353 20 30 DCEDLP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001279520731 950615142 /nfs/dbraw/zinc/61/51/42/950615142.db2.gz ZQGMKQKALYCVTE-WBVHZDCISA-N 2 2 318.421 0.801 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001279520731 950615151 /nfs/dbraw/zinc/61/51/51/950615151.db2.gz ZQGMKQKALYCVTE-WBVHZDCISA-N 2 2 318.421 0.801 20 30 DCEDLP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331130739 950942748 /nfs/dbraw/zinc/94/27/48/950942748.db2.gz ADTGQAWYMHSSEM-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331130739 950942762 /nfs/dbraw/zinc/94/27/62/950942762.db2.gz ADTGQAWYMHSSEM-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC001331285164 951058310 /nfs/dbraw/zinc/05/83/10/951058310.db2.gz PVFFZPQLJSNUOF-CQSZACIVSA-N 2 2 301.394 0.890 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC001331285164 951058319 /nfs/dbraw/zinc/05/83/19/951058319.db2.gz PVFFZPQLJSNUOF-CQSZACIVSA-N 2 2 301.394 0.890 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001280776468 951082073 /nfs/dbraw/zinc/08/20/73/951082073.db2.gz JXENNOZNYLSCBL-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001280776468 951082085 /nfs/dbraw/zinc/08/20/85/951082085.db2.gz JXENNOZNYLSCBL-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281636006 951569304 /nfs/dbraw/zinc/56/93/04/951569304.db2.gz IUEMYVSRXOVWTG-AWEZNQCLSA-N 2 2 306.410 0.963 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274617049 951744001 /nfs/dbraw/zinc/74/40/01/951744001.db2.gz SNFRSKSODOGFLL-IAGOWNOFSA-N 2 2 318.421 0.745 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274617049 951744005 /nfs/dbraw/zinc/74/40/05/951744005.db2.gz SNFRSKSODOGFLL-IAGOWNOFSA-N 2 2 318.421 0.745 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001274916771 951892648 /nfs/dbraw/zinc/89/26/48/951892648.db2.gz LDUBEJBWXBVZDR-ZIAGYGMSSA-N 2 2 316.405 0.480 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001274916771 951892654 /nfs/dbraw/zinc/89/26/54/951892654.db2.gz LDUBEJBWXBVZDR-ZIAGYGMSSA-N 2 2 316.405 0.480 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)cn3)C[C@H]21 ZINC001275035009 951937640 /nfs/dbraw/zinc/93/76/40/951937640.db2.gz VTORPKHVSOEDKD-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cn3)C[C@H]21 ZINC001275035009 951937645 /nfs/dbraw/zinc/93/76/45/951937645.db2.gz VTORPKHVSOEDKD-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001333201137 951954497 /nfs/dbraw/zinc/95/44/97/951954497.db2.gz AMOSPBYJWOVQLL-ZDUSSCGKSA-N 2 2 319.833 0.134 20 30 DCEDLP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001333201137 951954499 /nfs/dbraw/zinc/95/44/99/951954499.db2.gz AMOSPBYJWOVQLL-ZDUSSCGKSA-N 2 2 319.833 0.134 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)nc3)C[C@H]21 ZINC001275295361 952047935 /nfs/dbraw/zinc/04/79/35/952047935.db2.gz IIGNPVIKHLJPQH-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)nc3)C[C@H]21 ZINC001275295361 952047943 /nfs/dbraw/zinc/04/79/43/952047943.db2.gz IIGNPVIKHLJPQH-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC001336795975 952766326 /nfs/dbraw/zinc/76/63/26/952766326.db2.gz GVBSYFRYLKLLAT-QGZVFWFLSA-N 2 2 313.401 0.985 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC001341672938 953244159 /nfs/dbraw/zinc/24/41/59/953244159.db2.gz QGOOEOGRAWFJNE-HNNXBMFYSA-N 2 2 315.417 0.746 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC001341672938 953244160 /nfs/dbraw/zinc/24/41/60/953244160.db2.gz QGOOEOGRAWFJNE-HNNXBMFYSA-N 2 2 315.417 0.746 20 30 DCEDLP C#CC[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281820151 953376155 /nfs/dbraw/zinc/37/61/55/953376155.db2.gz HOAUFOKCDDUQLB-AWEZNQCLSA-N 2 2 304.394 0.411 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001282915537 953757607 /nfs/dbraw/zinc/75/76/07/953757607.db2.gz OYVKRTFFDHOIHA-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)C1 ZINC001347853813 954173827 /nfs/dbraw/zinc/17/38/27/954173827.db2.gz PAWUDYGJJFZSQS-JYJNAYRXSA-N 2 2 321.469 0.018 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001284130367 954868765 /nfs/dbraw/zinc/86/87/65/954868765.db2.gz KZBCHBRLBZBMQC-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001284130367 954868769 /nfs/dbraw/zinc/86/87/69/954868769.db2.gz KZBCHBRLBZBMQC-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001382475653 967423669 /nfs/dbraw/zinc/42/36/69/967423669.db2.gz BPJNDQTWDKXDLI-STQMWFEESA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001382475653 967423681 /nfs/dbraw/zinc/42/36/81/967423681.db2.gz BPJNDQTWDKXDLI-STQMWFEESA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001382475562 967425633 /nfs/dbraw/zinc/42/56/33/967425633.db2.gz BPJNDQTWDKXDLI-CHWSQXEVSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001382475562 967425638 /nfs/dbraw/zinc/42/56/38/967425638.db2.gz BPJNDQTWDKXDLI-CHWSQXEVSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001502592361 1015987539 /nfs/dbraw/zinc/98/75/39/1015987539.db2.gz PABBXSGQKQZGCM-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001507115127 1015996652 /nfs/dbraw/zinc/99/66/52/1015996652.db2.gz YKHZOEKOUZUNKR-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001507115127 1015996659 /nfs/dbraw/zinc/99/66/59/1015996659.db2.gz YKHZOEKOUZUNKR-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001426034845 1003364518 /nfs/dbraw/zinc/36/45/18/1003364518.db2.gz VBPJFOPKZGVJKP-LBPRGKRZSA-N 2 2 314.817 0.514 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506652759 1017440064 /nfs/dbraw/zinc/44/00/64/1017440064.db2.gz WFTYBPRXCNEFPP-CYBMUJFWSA-N 2 2 322.453 0.067 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001497402892 1018114045 /nfs/dbraw/zinc/11/40/45/1018114045.db2.gz DTPOHOSVUSAMNA-AWEZNQCLSA-N 2 2 319.409 0.414 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1nc(C)no1 ZINC001497402892 1018114051 /nfs/dbraw/zinc/11/40/51/1018114051.db2.gz DTPOHOSVUSAMNA-AWEZNQCLSA-N 2 2 319.409 0.414 20 30 DCEDLP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001497799228 1018422270 /nfs/dbraw/zinc/42/22/70/1018422270.db2.gz SUSORSWNEXXHMC-RISCZKNCSA-N 2 2 322.434 0.545 20 30 DCEDLP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001497799228 1018422281 /nfs/dbraw/zinc/42/22/81/1018422281.db2.gz SUSORSWNEXXHMC-RISCZKNCSA-N 2 2 322.434 0.545 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500689158 1018581023 /nfs/dbraw/zinc/58/10/23/1018581023.db2.gz CYMKAEWREZLPTO-QGZVFWFLSA-N 2 2 317.389 0.209 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500689158 1018581027 /nfs/dbraw/zinc/58/10/27/1018581027.db2.gz CYMKAEWREZLPTO-QGZVFWFLSA-N 2 2 317.389 0.209 20 30 DCEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498026087 1018594672 /nfs/dbraw/zinc/59/46/72/1018594672.db2.gz SUSORSWNEXXHMC-FZMZJTMJSA-N 2 2 322.434 0.545 20 30 DCEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498026087 1018594684 /nfs/dbraw/zinc/59/46/84/1018594684.db2.gz SUSORSWNEXXHMC-FZMZJTMJSA-N 2 2 322.434 0.545 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2ncc(C)o2)CC1 ZINC001480595528 1018693622 /nfs/dbraw/zinc/69/36/22/1018693622.db2.gz BWKJWLXPPDWKSG-ZDUSSCGKSA-N 2 2 318.421 0.923 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001501121032 1018902757 /nfs/dbraw/zinc/90/27/57/1018902757.db2.gz AKNVWKQDHTWAHT-HIFRSBDPSA-N 2 2 301.390 0.950 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001501139066 1018916071 /nfs/dbraw/zinc/91/60/71/1018916071.db2.gz CBOOEHUIPKTPDY-KBPBESRZSA-N 2 2 304.394 0.286 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363740 1019100536 /nfs/dbraw/zinc/10/05/36/1019100536.db2.gz DYPUPGMCFQBCLK-INIZCTEOSA-N 2 2 304.394 0.158 20 30 DCEDLP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363740 1019100544 /nfs/dbraw/zinc/10/05/44/1019100544.db2.gz DYPUPGMCFQBCLK-INIZCTEOSA-N 2 2 304.394 0.158 20 30 DCEDLP COCCNC(=[NH2+])NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264153312 533340249 /nfs/dbraw/zinc/34/02/49/533340249.db2.gz ZUHONSOWUIXKEC-CYBMUJFWSA-N 2 2 324.425 0.857 20 30 DCEDLP Cc1cc(N2CC[NH+](C)CC2)c(C#N)c(N2CC[NH+](C)CC2)n1 ZINC000589101601 396704207 /nfs/dbraw/zinc/70/42/07/396704207.db2.gz AUNDAYKDDAYRBB-UHFFFAOYSA-N 2 2 314.437 0.765 20 30 DCEDLP CN(c1cncc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591458859 396923604 /nfs/dbraw/zinc/92/36/04/396923604.db2.gz SLNFCPJLVUBVFO-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1cncc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000591458859 396923608 /nfs/dbraw/zinc/92/36/08/396923608.db2.gz SLNFCPJLVUBVFO-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000591724049 396992476 /nfs/dbraw/zinc/99/24/76/396992476.db2.gz ZXYDNKJRVKSYPM-HNNXBMFYSA-N 2 2 301.394 0.673 20 30 DCEDLP N#Cc1cccc(C[NH+]2CCC(Nc3nc(N)[nH+]c(N)n3)CC2)c1 ZINC000599096984 397334419 /nfs/dbraw/zinc/33/44/19/397334419.db2.gz CZZOUJDTPGSIOA-UHFFFAOYSA-N 2 2 324.392 0.067 20 30 DCEDLP N#Cc1cccc(C[NH+]2CCC(Nc3nc(N)nc(N)[nH+]3)CC2)c1 ZINC000599096984 397334425 /nfs/dbraw/zinc/33/44/25/397334425.db2.gz CZZOUJDTPGSIOA-UHFFFAOYSA-N 2 2 324.392 0.067 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129592214 415909012 /nfs/dbraw/zinc/90/90/12/415909012.db2.gz CKWUSNHKAQUQQW-LSDHHAIUSA-N 2 2 308.426 0.401 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129592214 415909016 /nfs/dbraw/zinc/90/90/16/415909016.db2.gz CKWUSNHKAQUQQW-LSDHHAIUSA-N 2 2 308.426 0.401 20 30 DCEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)CCC2 ZINC000328647078 416124513 /nfs/dbraw/zinc/12/45/13/416124513.db2.gz HGZLWIDPMJKELE-KBPBESRZSA-N 2 2 321.425 0.903 20 30 DCEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC000328647078 416124518 /nfs/dbraw/zinc/12/45/18/416124518.db2.gz HGZLWIDPMJKELE-KBPBESRZSA-N 2 2 321.425 0.903 20 30 DCEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329546404 416176361 /nfs/dbraw/zinc/17/63/61/416176361.db2.gz HCZQTRITBHQEJC-RWMBFGLXSA-N 2 2 321.425 0.880 20 30 DCEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000329546404 416176365 /nfs/dbraw/zinc/17/63/65/416176365.db2.gz HCZQTRITBHQEJC-RWMBFGLXSA-N 2 2 321.425 0.880 20 30 DCEDLP COCC[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000330276722 416198664 /nfs/dbraw/zinc/19/86/64/416198664.db2.gz NHTQHUFRHOFEQL-UONOGXRCSA-N 2 2 321.425 0.764 20 30 DCEDLP COCC[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000330276722 416198665 /nfs/dbraw/zinc/19/86/65/416198665.db2.gz NHTQHUFRHOFEQL-UONOGXRCSA-N 2 2 321.425 0.764 20 30 DCEDLP C[C@H](O)[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000330821629 416240775 /nfs/dbraw/zinc/24/07/75/416240775.db2.gz NNUVQZDWPVWEIJ-KBPBESRZSA-N 2 2 312.458 0.629 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000491241732 416592443 /nfs/dbraw/zinc/59/24/43/416592443.db2.gz LJLMCCVDSNOYJQ-UHFFFAOYSA-N 2 2 306.454 0.085 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491338361 416595646 /nfs/dbraw/zinc/59/56/46/416595646.db2.gz HZBQTONQJVBVGC-LSDHHAIUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000491667694 416611571 /nfs/dbraw/zinc/61/15/71/416611571.db2.gz VJQXCDHSEULWIH-KRWDZBQOSA-N 2 2 312.417 0.648 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000491667694 416611574 /nfs/dbraw/zinc/61/15/74/416611574.db2.gz VJQXCDHSEULWIH-KRWDZBQOSA-N 2 2 312.417 0.648 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)C(=O)OC)C2CC2)CC1 ZINC000490759943 416574700 /nfs/dbraw/zinc/57/47/00/416574700.db2.gz ITNCDCVDVBRMFJ-AWEZNQCLSA-N 2 2 321.421 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)C(=O)OC)C2CC2)CC1 ZINC000490759943 416574701 /nfs/dbraw/zinc/57/47/01/416574701.db2.gz ITNCDCVDVBRMFJ-AWEZNQCLSA-N 2 2 321.421 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000491164481 416588457 /nfs/dbraw/zinc/58/84/57/416588457.db2.gz CBSGHNFJXQPHGL-HOTGVXAUSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000491164481 416588458 /nfs/dbraw/zinc/58/84/58/416588458.db2.gz CBSGHNFJXQPHGL-HOTGVXAUSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491741347 416621978 /nfs/dbraw/zinc/62/19/78/416621978.db2.gz ZKIGZZBSOJZEHZ-CABCVRRESA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000491741347 416621980 /nfs/dbraw/zinc/62/19/80/416621980.db2.gz ZKIGZZBSOJZEHZ-CABCVRRESA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000491758607 416623368 /nfs/dbraw/zinc/62/33/68/416623368.db2.gz ILSOVNIYQZAXHU-INIZCTEOSA-N 2 2 319.380 0.226 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C[C@H]2C[N@H+](CC(C)C)CCO2)nn1 ZINC000656448818 418354815 /nfs/dbraw/zinc/35/48/15/418354815.db2.gz MXKTUXNUSWHLKZ-MRXNPFEDSA-N 2 2 305.426 0.748 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C[C@H]2C[N@@H+](CC(C)C)CCO2)nn1 ZINC000656448818 418354818 /nfs/dbraw/zinc/35/48/18/418354818.db2.gz MXKTUXNUSWHLKZ-MRXNPFEDSA-N 2 2 305.426 0.748 20 30 DCEDLP C[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418338676 267347629 /nfs/dbraw/zinc/34/76/29/267347629.db2.gz ZHJUKUXVCDBNJN-UHFFFAOYSA-N 2 2 301.394 0.605 20 30 DCEDLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355408846 300063814 /nfs/dbraw/zinc/06/38/14/300063814.db2.gz KLXSILFSIXWHHX-HOTGVXAUSA-N 2 2 322.453 0.934 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001656110001 1173839512 /nfs/dbraw/zinc/83/95/12/1173839512.db2.gz WSTPGFYPGDTOKM-OAHLLOKOSA-N 2 2 304.394 0.374 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001656110001 1173839516 /nfs/dbraw/zinc/83/95/16/1173839516.db2.gz WSTPGFYPGDTOKM-OAHLLOKOSA-N 2 2 304.394 0.374 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001574857739 1159247664 /nfs/dbraw/zinc/24/76/64/1159247664.db2.gz YIIBGQDBKJJDNW-NSHDSACASA-N 2 2 303.790 0.021 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001574857739 1159247667 /nfs/dbraw/zinc/24/76/67/1159247667.db2.gz YIIBGQDBKJJDNW-NSHDSACASA-N 2 2 303.790 0.021 20 30 DCEDLP C=CC[NH+]1CCN(CCCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001566640995 1160107448 /nfs/dbraw/zinc/10/74/48/1160107448.db2.gz ZQOIXRSUOCTXFR-UHFFFAOYSA-N 2 2 308.470 0.781 20 30 DCEDLP C=CC[NH+]1CCN(CCCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001566640995 1160107451 /nfs/dbraw/zinc/10/74/51/1160107451.db2.gz ZQOIXRSUOCTXFR-UHFFFAOYSA-N 2 2 308.470 0.781 20 30 DCEDLP C[NH+]=C(NCC(=O)NC(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160035304 526347530 /nfs/dbraw/zinc/34/75/30/526347530.db2.gz HUYPOWZEELETKQ-UONOGXRCSA-N 2 2 320.441 0.866 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157198661 526590607 /nfs/dbraw/zinc/59/06/07/526590607.db2.gz RKEBUMZZWAYMBZ-CQSZACIVSA-N 2 2 308.426 0.949 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157198661 526590618 /nfs/dbraw/zinc/59/06/18/526590618.db2.gz RKEBUMZZWAYMBZ-CQSZACIVSA-N 2 2 308.426 0.949 20 30 DCEDLP CCNC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264081386 528941788 /nfs/dbraw/zinc/94/17/88/528941788.db2.gz HJRWFJYNGPYVFJ-UHFFFAOYSA-N 2 2 306.410 0.822 20 30 DCEDLP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](C)CC1 ZINC000329716757 546054102 /nfs/dbraw/zinc/05/41/02/546054102.db2.gz WUWHZTKYZRESFN-LBPRGKRZSA-N 2 2 308.430 0.579 20 30 DCEDLP C#CCC[N@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981326816 661133063 /nfs/dbraw/zinc/13/30/63/661133063.db2.gz IDNKNGCRIRJWQM-INIZCTEOSA-N 2 2 317.437 0.371 20 30 DCEDLP C#CCC[N@@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981326816 661133065 /nfs/dbraw/zinc/13/30/65/661133065.db2.gz IDNKNGCRIRJWQM-INIZCTEOSA-N 2 2 317.437 0.371 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834126 661228235 /nfs/dbraw/zinc/22/82/35/661228235.db2.gz RAJNZWKPBLWZSC-OAHLLOKOSA-N 2 2 300.406 0.921 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834126 661228237 /nfs/dbraw/zinc/22/82/37/661228237.db2.gz RAJNZWKPBLWZSC-OAHLLOKOSA-N 2 2 300.406 0.921 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC000998321616 665436923 /nfs/dbraw/zinc/43/69/23/665436923.db2.gz PMBPHWPXQDVJMG-NWDGAFQWSA-N 2 2 314.311 0.885 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038261663 657613863 /nfs/dbraw/zinc/61/38/63/657613863.db2.gz FPDNSESIZYSBPQ-ZACQAIPSSA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038261663 657613872 /nfs/dbraw/zinc/61/38/72/657613872.db2.gz FPDNSESIZYSBPQ-ZACQAIPSSA-N 2 2 319.449 0.557 20 30 DCEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998810154 665534384 /nfs/dbraw/zinc/53/43/84/665534384.db2.gz CWBRSWNFWFYFFS-QWHCGFSZSA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998810154 665534385 /nfs/dbraw/zinc/53/43/85/665534385.db2.gz CWBRSWNFWFYFFS-QWHCGFSZSA-N 2 2 301.818 0.650 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000972006630 658152575 /nfs/dbraw/zinc/15/25/75/658152575.db2.gz SMEZVLIVBQXKTD-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006630 658152581 /nfs/dbraw/zinc/15/25/81/658152581.db2.gz SMEZVLIVBQXKTD-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972006630 658152584 /nfs/dbraw/zinc/15/25/84/658152584.db2.gz SMEZVLIVBQXKTD-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CCCC)C1 ZINC000972006630 658152590 /nfs/dbraw/zinc/15/25/90/658152590.db2.gz SMEZVLIVBQXKTD-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949472772 658293360 /nfs/dbraw/zinc/29/33/60/658293360.db2.gz MFABGULVBBSJFO-HNNXBMFYSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977892 658318659 /nfs/dbraw/zinc/31/86/59/658318659.db2.gz AXNBEDRAQOIUCM-KGLIPLIRSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972420604 658747466 /nfs/dbraw/zinc/74/74/66/658747466.db2.gz ZWKXSEHLWLKSMV-RDJZCZTQSA-N 2 2 307.438 0.509 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972420604 658747468 /nfs/dbraw/zinc/74/74/68/658747468.db2.gz ZWKXSEHLWLKSMV-RDJZCZTQSA-N 2 2 307.438 0.509 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999995333 665726903 /nfs/dbraw/zinc/72/69/03/665726903.db2.gz YCSZAJVUQMKPTQ-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999995333 665726906 /nfs/dbraw/zinc/72/69/06/665726906.db2.gz YCSZAJVUQMKPTQ-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP N#Cc1ccc(NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000925892866 661393725 /nfs/dbraw/zinc/39/37/25/661393725.db2.gz GUXSXAOMCLRUOS-GDBMZVCRSA-N 2 2 301.394 0.722 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC000913477330 664326898 /nfs/dbraw/zinc/32/68/98/664326898.db2.gz HNEWKBKUPRWSMQ-OAHLLOKOSA-N 2 2 311.426 0.054 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995976827 666725343 /nfs/dbraw/zinc/72/53/43/666725343.db2.gz FIOIVPJQVDQOBW-DZGCQCFKSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000996990790 667056388 /nfs/dbraw/zinc/05/63/88/667056388.db2.gz GBEUGMPTMFCPBD-GDBMZVCRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000996990790 667056393 /nfs/dbraw/zinc/05/63/93/667056393.db2.gz GBEUGMPTMFCPBD-GDBMZVCRSA-N 2 2 307.438 0.557 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000884291157 667517667 /nfs/dbraw/zinc/51/76/67/667517667.db2.gz RARKJFQGMCJXIE-KBPBESRZSA-N 2 2 309.410 0.281 20 30 DCEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000867972393 667522331 /nfs/dbraw/zinc/52/23/31/667522331.db2.gz ZAPHCBJWICOCHB-KGLIPLIRSA-N 2 2 320.343 0.811 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870003 667810830 /nfs/dbraw/zinc/81/08/30/667810830.db2.gz NCYPSDNEQITWTF-CZUORRHYSA-N 2 2 308.426 0.852 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870003 667810837 /nfs/dbraw/zinc/81/08/37/667810837.db2.gz NCYPSDNEQITWTF-CZUORRHYSA-N 2 2 308.426 0.852 20 30 DCEDLP C#CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000927502373 668472550 /nfs/dbraw/zinc/47/25/50/668472550.db2.gz LTCLFTMRFRBYJX-UONOGXRCSA-N 2 2 304.394 0.099 20 30 DCEDLP C#CC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000927502373 668472553 /nfs/dbraw/zinc/47/25/53/668472553.db2.gz LTCLFTMRFRBYJX-UONOGXRCSA-N 2 2 304.394 0.099 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000950381005 670012693 /nfs/dbraw/zinc/01/26/93/670012693.db2.gz FSHSNDSTMOQYJO-GOEBONIOSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950381005 670012694 /nfs/dbraw/zinc/01/26/94/670012694.db2.gz FSHSNDSTMOQYJO-GOEBONIOSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854094466 670523224 /nfs/dbraw/zinc/52/32/24/670523224.db2.gz RCKHAKZCFNLVKD-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000854094466 670523226 /nfs/dbraw/zinc/52/32/26/670523226.db2.gz RCKHAKZCFNLVKD-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000854094466 670523231 /nfs/dbraw/zinc/52/32/31/670523231.db2.gz RCKHAKZCFNLVKD-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000854094466 670523235 /nfs/dbraw/zinc/52/32/35/670523235.db2.gz RCKHAKZCFNLVKD-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000847416314 670549882 /nfs/dbraw/zinc/54/98/82/670549882.db2.gz KGSAKGRKPYIJJO-UHFFFAOYSA-N 2 2 303.410 0.226 20 30 DCEDLP C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000732779965 685322800 /nfs/dbraw/zinc/32/28/00/685322800.db2.gz HLPGOMYOOQSOEV-INIZCTEOSA-N 2 2 312.417 0.961 20 30 DCEDLP C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000732779965 685322807 /nfs/dbraw/zinc/32/28/07/685322807.db2.gz HLPGOMYOOQSOEV-INIZCTEOSA-N 2 2 312.417 0.961 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960015153 688281474 /nfs/dbraw/zinc/28/14/74/688281474.db2.gz ROGLLOTXHLCQAO-HWWDLCQESA-N 2 2 312.417 0.832 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960015153 688281476 /nfs/dbraw/zinc/28/14/76/688281476.db2.gz ROGLLOTXHLCQAO-HWWDLCQESA-N 2 2 312.417 0.832 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000961376884 688604761 /nfs/dbraw/zinc/60/47/61/688604761.db2.gz WLCCRBUEUIKOLF-TWMKSMIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000961376884 688604764 /nfs/dbraw/zinc/60/47/64/688604764.db2.gz WLCCRBUEUIKOLF-TWMKSMIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000961376884 688604765 /nfs/dbraw/zinc/60/47/65/688604765.db2.gz WLCCRBUEUIKOLF-TWMKSMIVSA-N 2 2 317.433 0.167 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000961376884 688604768 /nfs/dbraw/zinc/60/47/68/688604768.db2.gz WLCCRBUEUIKOLF-TWMKSMIVSA-N 2 2 317.433 0.167 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039393160 694355423 /nfs/dbraw/zinc/35/54/23/694355423.db2.gz UDSUHBWSRROGBT-WCXIOVBPSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039393160 694355428 /nfs/dbraw/zinc/35/54/28/694355428.db2.gz UDSUHBWSRROGBT-WCXIOVBPSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039393160 694355434 /nfs/dbraw/zinc/35/54/34/694355434.db2.gz UDSUHBWSRROGBT-WCXIOVBPSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039393160 694355437 /nfs/dbraw/zinc/35/54/37/694355437.db2.gz UDSUHBWSRROGBT-WCXIOVBPSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007729654 690734673 /nfs/dbraw/zinc/73/46/73/690734673.db2.gz WGNMXTZRDRAIFX-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001007729654 690734676 /nfs/dbraw/zinc/73/46/76/690734676.db2.gz WGNMXTZRDRAIFX-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001018985966 693307607 /nfs/dbraw/zinc/30/76/07/693307607.db2.gz OEQFTZRALJCJSW-GJZGRUSLSA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC001018985966 693307613 /nfs/dbraw/zinc/30/76/13/693307613.db2.gz OEQFTZRALJCJSW-GJZGRUSLSA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001073466058 694729664 /nfs/dbraw/zinc/72/96/64/694729664.db2.gz XKWIPPPNYQCSLF-MRXNPFEDSA-N 2 2 312.417 0.852 20 30 DCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001073466058 694729666 /nfs/dbraw/zinc/72/96/66/694729666.db2.gz XKWIPPPNYQCSLF-MRXNPFEDSA-N 2 2 312.417 0.852 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073665504 694762356 /nfs/dbraw/zinc/76/23/56/694762356.db2.gz XVHXIEUKWPCNHW-HOCLYGCPSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001073665504 694762357 /nfs/dbraw/zinc/76/23/57/694762357.db2.gz XVHXIEUKWPCNHW-HOCLYGCPSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073667465 694762906 /nfs/dbraw/zinc/76/29/06/694762906.db2.gz GXWSACCYUUUDKU-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073667465 694762907 /nfs/dbraw/zinc/76/29/07/694762907.db2.gz GXWSACCYUUUDKU-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076077819 694997257 /nfs/dbraw/zinc/99/72/57/694997257.db2.gz BESNFZPYZIAHDD-LSDHHAIUSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076077819 694997258 /nfs/dbraw/zinc/99/72/58/694997258.db2.gz BESNFZPYZIAHDD-LSDHHAIUSA-N 2 2 300.406 0.909 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001571395091 1162730689 /nfs/dbraw/zinc/73/06/89/1162730689.db2.gz YVSAWWXIFJEWSZ-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001690996827 1157393292 /nfs/dbraw/zinc/39/32/92/1157393292.db2.gz VFZGBHWPOWINPD-OAHLLOKOSA-N 2 2 324.469 0.411 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001690996827 1157393297 /nfs/dbraw/zinc/39/32/97/1157393297.db2.gz VFZGBHWPOWINPD-OAHLLOKOSA-N 2 2 324.469 0.411 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001690996827 1157393304 /nfs/dbraw/zinc/39/33/04/1157393304.db2.gz VFZGBHWPOWINPD-OAHLLOKOSA-N 2 2 324.469 0.411 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001690996827 1157393311 /nfs/dbraw/zinc/39/33/11/1157393311.db2.gz VFZGBHWPOWINPD-OAHLLOKOSA-N 2 2 324.469 0.411 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001571616156 1162862111 /nfs/dbraw/zinc/86/21/11/1162862111.db2.gz SOUFZRJWVNSCRU-HNNXBMFYSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001571616156 1162862119 /nfs/dbraw/zinc/86/21/19/1162862119.db2.gz SOUFZRJWVNSCRU-HNNXBMFYSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001571616156 1162862127 /nfs/dbraw/zinc/86/21/27/1162862127.db2.gz SOUFZRJWVNSCRU-HNNXBMFYSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001571616156 1162862136 /nfs/dbraw/zinc/86/21/36/1162862136.db2.gz SOUFZRJWVNSCRU-HNNXBMFYSA-N 2 2 324.469 0.409 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C)cn1 ZINC001567511517 1160402223 /nfs/dbraw/zinc/40/22/23/1160402223.db2.gz XOKGDOKZVJWRTQ-HNNXBMFYSA-N 2 2 315.421 0.431 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C)cn1 ZINC001567511517 1160402227 /nfs/dbraw/zinc/40/22/27/1160402227.db2.gz XOKGDOKZVJWRTQ-HNNXBMFYSA-N 2 2 315.421 0.431 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001568996163 1160912534 /nfs/dbraw/zinc/91/25/34/1160912534.db2.gz OJGNXSFKITUIRM-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001568996163 1160912538 /nfs/dbraw/zinc/91/25/38/1160912538.db2.gz OJGNXSFKITUIRM-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001569851746 1161285596 /nfs/dbraw/zinc/28/55/96/1161285596.db2.gz ACWMKVUXPHKFLO-DZGCQCFKSA-N 2 2 318.421 0.595 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001570359103 1161580447 /nfs/dbraw/zinc/58/04/47/1161580447.db2.gz PLGQYTFDRRCPTN-HIFRSBDPSA-N 2 2 306.410 0.602 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001661001305 1174081316 /nfs/dbraw/zinc/08/13/16/1174081316.db2.gz SSSZKULUQMKHHC-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001661001305 1174081322 /nfs/dbraw/zinc/08/13/22/1174081322.db2.gz SSSZKULUQMKHHC-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001661661485 1174144360 /nfs/dbraw/zinc/14/43/60/1174144360.db2.gz RVZYPFGHJHYUAB-UPJWGTAASA-N 2 2 319.409 0.127 20 30 DCEDLP 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COCC#CC[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001734356771 1186621864 /nfs/dbraw/zinc/62/18/64/1186621864.db2.gz LRJXWBNAIHNZOS-OAHLLOKOSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001753528738 1188614238 /nfs/dbraw/zinc/61/42/38/1188614238.db2.gz SLZZBKIXPHZOBG-KRWDZBQOSA-N 2 2 318.421 0.487 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001754758760 1188925178 /nfs/dbraw/zinc/92/51/78/1188925178.db2.gz DSJPVBBFOOOAPE-RHSMWYFYSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001754758760 1188925181 /nfs/dbraw/zinc/92/51/81/1188925181.db2.gz DSJPVBBFOOOAPE-RHSMWYFYSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001754758994 1188925638 /nfs/dbraw/zinc/92/56/38/1188925638.db2.gz GYAOJWPVPQFLDJ-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001755213803 1189057199 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DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCCOC2)C1 ZINC001042960988 752009042 /nfs/dbraw/zinc/00/90/42/752009042.db2.gz VXAFBLTUAHKUKS-WBVHZDCISA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083214769 747230290 /nfs/dbraw/zinc/23/02/90/747230290.db2.gz PHYUPPUYWLINKF-JKSUJKDBSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083214769 747230297 /nfs/dbraw/zinc/23/02/97/747230297.db2.gz PHYUPPUYWLINKF-JKSUJKDBSA-N 2 2 305.422 0.263 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077169979 750239984 /nfs/dbraw/zinc/23/99/84/750239984.db2.gz OKIZRAZSKRDERZ-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077169979 750239987 /nfs/dbraw/zinc/23/99/87/750239987.db2.gz OKIZRAZSKRDERZ-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001077169979 750239990 /nfs/dbraw/zinc/23/99/90/750239990.db2.gz OKIZRAZSKRDERZ-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001077169979 750239992 /nfs/dbraw/zinc/23/99/92/750239992.db2.gz OKIZRAZSKRDERZ-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077232633 750281813 /nfs/dbraw/zinc/28/18/13/750281813.db2.gz ZRNYULGYRAQPBK-HUUCEWRRSA-N 2 2 300.362 0.914 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077232633 750281817 /nfs/dbraw/zinc/28/18/17/750281817.db2.gz ZRNYULGYRAQPBK-HUUCEWRRSA-N 2 2 300.362 0.914 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083582158 750411813 /nfs/dbraw/zinc/41/18/13/750411813.db2.gz YXWVJHCRFTTYJJ-ZNMIVQPWSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083582158 750411818 /nfs/dbraw/zinc/41/18/18/750411818.db2.gz YXWVJHCRFTTYJJ-ZNMIVQPWSA-N 2 2 318.421 0.573 20 30 DCEDLP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567400 751032449 /nfs/dbraw/zinc/03/24/49/751032449.db2.gz IOEIAFKVPUGMEK-RDJZCZTQSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567400 751032455 /nfs/dbraw/zinc/03/24/55/751032455.db2.gz IOEIAFKVPUGMEK-RDJZCZTQSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567400 751032460 /nfs/dbraw/zinc/03/24/60/751032460.db2.gz IOEIAFKVPUGMEK-RDJZCZTQSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106479758 751163719 /nfs/dbraw/zinc/16/37/19/751163719.db2.gz PNDTUVMMENTQCF-BRWVUGGUSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106479758 751163722 /nfs/dbraw/zinc/16/37/22/751163722.db2.gz PNDTUVMMENTQCF-BRWVUGGUSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082215 753472129 /nfs/dbraw/zinc/47/21/29/753472129.db2.gz UAHZCJBNOHWMLA-OAHLLOKOSA-N 2 2 315.421 0.112 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082215 753472133 /nfs/dbraw/zinc/47/21/33/753472133.db2.gz UAHZCJBNOHWMLA-OAHLLOKOSA-N 2 2 315.421 0.112 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](O)C1 ZINC001090266875 754860470 /nfs/dbraw/zinc/86/04/70/754860470.db2.gz XZXCADBZPCOBSW-CABCVRRESA-N 2 2 312.373 0.441 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](O)C1 ZINC001090266875 754860473 /nfs/dbraw/zinc/86/04/73/754860473.db2.gz XZXCADBZPCOBSW-CABCVRRESA-N 2 2 312.373 0.441 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](O)C1 ZINC001090266877 754861713 /nfs/dbraw/zinc/86/17/13/754861713.db2.gz XZXCADBZPCOBSW-HUUCEWRRSA-N 2 2 312.373 0.441 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H](O)C1 ZINC001090266877 754861717 /nfs/dbraw/zinc/86/17/17/754861717.db2.gz XZXCADBZPCOBSW-HUUCEWRRSA-N 2 2 312.373 0.441 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC001053287306 755989459 /nfs/dbraw/zinc/98/94/59/755989459.db2.gz SWRPELYFPBYNFE-HNNXBMFYSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)CO2 ZINC001054015035 756334117 /nfs/dbraw/zinc/33/41/17/756334117.db2.gz WYBAYWGHCZHAMM-HUUCEWRRSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)CO2 ZINC001054015035 756334123 /nfs/dbraw/zinc/33/41/23/756334123.db2.gz WYBAYWGHCZHAMM-HUUCEWRRSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1OC ZINC001081810407 756817974 /nfs/dbraw/zinc/81/79/74/756817974.db2.gz ZISIKNTYNKXQBG-OWCLPIDISA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1OC ZINC001081810407 756817977 /nfs/dbraw/zinc/81/79/77/756817977.db2.gz ZISIKNTYNKXQBG-OWCLPIDISA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1OC ZINC001081810407 756817981 /nfs/dbraw/zinc/81/79/81/756817981.db2.gz ZISIKNTYNKXQBG-OWCLPIDISA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CC2)C[C@H]1OC ZINC001081810407 756817985 /nfs/dbraw/zinc/81/79/85/756817985.db2.gz ZISIKNTYNKXQBG-OWCLPIDISA-N 2 2 305.422 0.309 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867197 756826707 /nfs/dbraw/zinc/82/67/07/756826707.db2.gz JLNSDMHWUCDYHH-BPLDGKMQSA-N 2 2 304.394 0.447 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867197 756826715 /nfs/dbraw/zinc/82/67/15/756826715.db2.gz JLNSDMHWUCDYHH-BPLDGKMQSA-N 2 2 304.394 0.447 20 30 DCEDLP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001083151562 757528166 /nfs/dbraw/zinc/52/81/66/757528166.db2.gz FVRVAUJIEYNTAJ-LSDHHAIUSA-N 2 2 318.421 0.840 20 30 DCEDLP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001083151562 757528173 /nfs/dbraw/zinc/52/81/73/757528173.db2.gz FVRVAUJIEYNTAJ-LSDHHAIUSA-N 2 2 318.421 0.840 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001098751654 758222637 /nfs/dbraw/zinc/22/26/37/758222637.db2.gz PKAAPVVXZRAJPJ-OAHLLOKOSA-N 2 2 318.425 0.116 20 30 DCEDLP N#Cc1c(Br)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073745 760573237 /nfs/dbraw/zinc/57/32/37/760573237.db2.gz BNWSZPVAMISJEW-MRVPVSSYSA-N 2 2 322.166 0.764 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071161377 761672851 /nfs/dbraw/zinc/67/28/51/761672851.db2.gz IWTHPXFNCPNBTC-YOEHRIQHSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071161377 761672857 /nfs/dbraw/zinc/67/28/57/761672857.db2.gz IWTHPXFNCPNBTC-YOEHRIQHSA-N 2 2 316.405 0.667 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809137 763053996 /nfs/dbraw/zinc/05/39/96/763053996.db2.gz CRBQSOWLWXTSDS-ZIAGYGMSSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809137 763054006 /nfs/dbraw/zinc/05/40/06/763054006.db2.gz CRBQSOWLWXTSDS-ZIAGYGMSSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094218 763299691 /nfs/dbraw/zinc/29/96/91/763299691.db2.gz IUDHTGXDQATHKF-HOTGVXAUSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094218 763299698 /nfs/dbraw/zinc/29/96/98/763299698.db2.gz IUDHTGXDQATHKF-HOTGVXAUSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(Br)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377470 763788350 /nfs/dbraw/zinc/78/83/50/763788350.db2.gz TWDCQYVRYVNESG-UHFFFAOYSA-N 2 2 301.188 0.806 20 30 DCEDLP N#Cc1ccccc1C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350386 765901514 /nfs/dbraw/zinc/90/15/14/765901514.db2.gz VKUGQQZHJFQAQC-UHFFFAOYSA-N 2 2 316.405 0.486 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944106 766179336 /nfs/dbraw/zinc/17/93/36/766179336.db2.gz FCYSPWYRVQYDEE-CHWSQXEVSA-N 2 2 321.425 0.138 20 30 DCEDLP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596586 769134187 /nfs/dbraw/zinc/13/41/87/769134187.db2.gz MOWVRYVGSWHIKI-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596586 769134193 /nfs/dbraw/zinc/13/41/93/769134193.db2.gz MOWVRYVGSWHIKI-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2csnn2)CC1 ZINC001152329942 769528788 /nfs/dbraw/zinc/52/87/88/769528788.db2.gz FMAKBNLPPYGVAY-GFCCVEGCSA-N 2 2 321.450 0.650 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235301624 769799075 /nfs/dbraw/zinc/79/90/75/769799075.db2.gz CXCMXUSTMGUOAS-HZPDHXFCSA-N 2 2 319.453 0.922 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235301624 769799082 /nfs/dbraw/zinc/79/90/82/769799082.db2.gz CXCMXUSTMGUOAS-HZPDHXFCSA-N 2 2 319.453 0.922 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235300448 769799272 /nfs/dbraw/zinc/79/92/72/769799272.db2.gz AGAMJMYGNXHYLT-HZPDHXFCSA-N 2 2 317.437 0.369 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235300448 769799281 /nfs/dbraw/zinc/79/92/81/769799281.db2.gz AGAMJMYGNXHYLT-HZPDHXFCSA-N 2 2 317.437 0.369 20 30 DCEDLP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235304460 769803110 /nfs/dbraw/zinc/80/31/10/769803110.db2.gz REAAOACQSDBKFM-LSDHHAIUSA-N 2 2 305.426 0.532 20 30 DCEDLP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235304460 769803122 /nfs/dbraw/zinc/80/31/22/769803122.db2.gz REAAOACQSDBKFM-LSDHHAIUSA-N 2 2 305.426 0.532 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175011803 769840054 /nfs/dbraw/zinc/84/00/54/769840054.db2.gz OEYJKVYQLBTKQB-CYBMUJFWSA-N 2 2 321.425 0.139 20 30 DCEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176167444 770041747 /nfs/dbraw/zinc/04/17/47/770041747.db2.gz ZMRXBVHZOMDQAF-HNNXBMFYSA-N 2 2 320.437 0.877 20 30 DCEDLP N#CC1(NS(=O)(=O)CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001238695875 770126122 /nfs/dbraw/zinc/12/61/22/770126122.db2.gz SRBAFWSLVQFOQV-UHFFFAOYSA-N 2 2 322.434 0.423 20 30 DCEDLP N#C[C@H]1C[NH2+]CCN1c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001156332926 770787342 /nfs/dbraw/zinc/78/73/42/770787342.db2.gz RDJXPDDCLHKOTD-AWEZNQCLSA-N 2 2 301.394 0.762 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202889 770963004 /nfs/dbraw/zinc/96/30/04/770963004.db2.gz STHMNEUFWOFUJL-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001180331493 771106769 /nfs/dbraw/zinc/10/67/69/771106769.db2.gz JPLOOKGTYRZZER-QGZVFWFLSA-N 2 2 321.465 0.997 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157749203 771663311 /nfs/dbraw/zinc/66/33/11/771663311.db2.gz ZCCMQRLXZZLZHL-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001157749203 771663313 /nfs/dbraw/zinc/66/33/13/771663313.db2.gz ZCCMQRLXZZLZHL-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001157749203 771663315 /nfs/dbraw/zinc/66/33/15/771663315.db2.gz ZCCMQRLXZZLZHL-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001157749203 771663317 /nfs/dbraw/zinc/66/33/17/771663317.db2.gz ZCCMQRLXZZLZHL-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185968937 771982606 /nfs/dbraw/zinc/98/26/06/771982606.db2.gz QBTVSTMBXGUNNX-LSDHHAIUSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1coc(C)n1 ZINC001160209459 772009786 /nfs/dbraw/zinc/00/97/86/772009786.db2.gz LGIBBCNBGWSKTA-HNNXBMFYSA-N 2 2 304.394 0.677 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1coc(C)n1 ZINC001160209459 772009789 /nfs/dbraw/zinc/00/97/89/772009789.db2.gz LGIBBCNBGWSKTA-HNNXBMFYSA-N 2 2 304.394 0.677 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214510 772184933 /nfs/dbraw/zinc/18/49/33/772184933.db2.gz AUDKJSFQMGHYEJ-AWEZNQCLSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161534555 772240436 /nfs/dbraw/zinc/24/04/36/772240436.db2.gz NYQPUHPVQBSXHG-YPMHNXCESA-N 2 2 321.381 0.183 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188354663 772298322 /nfs/dbraw/zinc/29/83/22/772298322.db2.gz ZORRTUBBNMYVJP-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203538561 772912574 /nfs/dbraw/zinc/91/25/74/772912574.db2.gz JGZWLROGOILLPB-KGLIPLIRSA-N 2 2 316.405 0.619 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547074 773232405 /nfs/dbraw/zinc/23/24/05/773232405.db2.gz JTCFXMJXMJMTOX-OAGGEKHMSA-N 2 2 317.437 0.273 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547074 773232410 /nfs/dbraw/zinc/23/24/10/773232410.db2.gz JTCFXMJXMJMTOX-OAGGEKHMSA-N 2 2 317.437 0.273 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC)C[C@H]1C ZINC001207582814 773242894 /nfs/dbraw/zinc/24/28/94/773242894.db2.gz FCTHJJIGVHVLJQ-OAGGEKHMSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@H]1C ZINC001207582814 773242898 /nfs/dbraw/zinc/24/28/98/773242898.db2.gz FCTHJJIGVHVLJQ-OAGGEKHMSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC)C[C@H]1C ZINC001207582814 773242901 /nfs/dbraw/zinc/24/29/01/773242901.db2.gz FCTHJJIGVHVLJQ-OAGGEKHMSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC)C[C@H]1C ZINC001207582814 773242905 /nfs/dbraw/zinc/24/29/05/773242905.db2.gz FCTHJJIGVHVLJQ-OAGGEKHMSA-N 2 2 307.438 0.557 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909503 773280016 /nfs/dbraw/zinc/28/00/16/773280016.db2.gz PIODGHNTYDLHPO-RBSFLKMASA-N 2 2 320.437 0.869 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001194909503 773280023 /nfs/dbraw/zinc/28/00/23/773280023.db2.gz PIODGHNTYDLHPO-RBSFLKMASA-N 2 2 320.437 0.869 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039913 773762835 /nfs/dbraw/zinc/76/28/35/773762835.db2.gz WZNCUAACZFXPGU-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001211039913 773762837 /nfs/dbraw/zinc/76/28/37/773762837.db2.gz WZNCUAACZFXPGU-RBSFLKMASA-N 2 2 322.453 0.209 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001197722802 773793112 /nfs/dbraw/zinc/79/31/12/773793112.db2.gz AEIOZNACEPKHGA-ZACQAIPSSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197722802 773793116 /nfs/dbraw/zinc/79/31/16/773793116.db2.gz AEIOZNACEPKHGA-ZACQAIPSSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197722802 773793118 /nfs/dbraw/zinc/79/31/18/773793118.db2.gz AEIOZNACEPKHGA-ZACQAIPSSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197722802 773793119 /nfs/dbraw/zinc/79/31/19/773793119.db2.gz AEIOZNACEPKHGA-ZACQAIPSSA-N 2 2 315.417 0.474 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197831677 773803885 /nfs/dbraw/zinc/80/38/85/773803885.db2.gz BWTMBWSGCITOAE-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197831677 773803887 /nfs/dbraw/zinc/80/38/87/773803887.db2.gz BWTMBWSGCITOAE-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197831677 773803889 /nfs/dbraw/zinc/80/38/89/773803889.db2.gz BWTMBWSGCITOAE-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197831677 773803890 /nfs/dbraw/zinc/80/38/90/773803890.db2.gz BWTMBWSGCITOAE-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500054 773853961 /nfs/dbraw/zinc/85/39/61/773853961.db2.gz KPXUIIBTVZSMMZ-RRFJBIMHSA-N 2 2 304.394 0.673 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500054 773853965 /nfs/dbraw/zinc/85/39/65/773853965.db2.gz KPXUIIBTVZSMMZ-RRFJBIMHSA-N 2 2 304.394 0.673 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213577996 773863164 /nfs/dbraw/zinc/86/31/64/773863164.db2.gz BFNLYFCJWRFCGE-HZPDHXFCSA-N 2 2 318.421 0.810 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213577996 773863172 /nfs/dbraw/zinc/86/31/72/773863172.db2.gz BFNLYFCJWRFCGE-HZPDHXFCSA-N 2 2 318.421 0.810 20 30 DCEDLP N#Cc1ncc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1C(F)(F)F ZINC001218658317 774274855 /nfs/dbraw/zinc/27/48/55/774274855.db2.gz APROHYMXYVVPGD-UHFFFAOYSA-N 2 2 313.283 0.991 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001201041318 774443392 /nfs/dbraw/zinc/44/33/92/774443392.db2.gz AZWXUQIHPPNWNP-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201611688 774532520 /nfs/dbraw/zinc/53/25/20/774532520.db2.gz ICUDGDOHOIEKNM-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201611688 774532522 /nfs/dbraw/zinc/53/25/22/774532522.db2.gz ICUDGDOHOIEKNM-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201856573 774557956 /nfs/dbraw/zinc/55/79/56/774557956.db2.gz MFHKHZLCAWRCAZ-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857179 774558790 /nfs/dbraw/zinc/55/87/90/774558790.db2.gz UFZMYPPTDKYIGB-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201983451 774583712 /nfs/dbraw/zinc/58/37/12/774583712.db2.gz NYZICOFYWHGCKE-MRXNPFEDSA-N 2 2 318.421 0.583 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441491 774809537 /nfs/dbraw/zinc/80/95/37/774809537.db2.gz DLJLOVOEQQQMRM-KFWWJZLASA-N 2 2 306.410 0.962 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441491 774809545 /nfs/dbraw/zinc/80/95/45/774809545.db2.gz DLJLOVOEQQQMRM-KFWWJZLASA-N 2 2 306.410 0.962 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111022904 775403819 /nfs/dbraw/zinc/40/38/19/775403819.db2.gz YEFRMVGATNWZFP-HZMVEIRTSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111022904 775403838 /nfs/dbraw/zinc/40/38/38/775403838.db2.gz YEFRMVGATNWZFP-HZMVEIRTSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111022904 775403845 /nfs/dbraw/zinc/40/38/45/775403845.db2.gz YEFRMVGATNWZFP-HZMVEIRTSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227840109 776015134 /nfs/dbraw/zinc/01/51/34/776015134.db2.gz YZFYQYVHWDNZTC-HZPDHXFCSA-N 2 2 318.421 0.940 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266601566 939176083 /nfs/dbraw/zinc/17/60/83/939176083.db2.gz GQFQYOBDFSQVDD-RBSFLKMASA-N 2 2 316.405 0.332 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C)s1 ZINC001267386406 939444882 /nfs/dbraw/zinc/44/48/82/939444882.db2.gz HASXZQICDSPOBD-ZDUSSCGKSA-N 2 2 321.450 0.492 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc(C)s1 ZINC001267386406 939444884 /nfs/dbraw/zinc/44/48/84/939444884.db2.gz HASXZQICDSPOBD-ZDUSSCGKSA-N 2 2 321.450 0.492 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC ZINC001267409901 939449460 /nfs/dbraw/zinc/44/94/60/939449460.db2.gz JCJBPPJFPVQUHQ-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC ZINC001267409901 939449461 /nfs/dbraw/zinc/44/94/61/939449461.db2.gz JCJBPPJFPVQUHQ-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC ZINC001267409901 939449463 /nfs/dbraw/zinc/44/94/63/939449463.db2.gz JCJBPPJFPVQUHQ-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCOCC ZINC001267409901 939449465 /nfs/dbraw/zinc/44/94/65/939449465.db2.gz JCJBPPJFPVQUHQ-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544954 939496342 /nfs/dbraw/zinc/49/63/42/939496342.db2.gz OHEVYTKNSKEYNX-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267544954 939496344 /nfs/dbraw/zinc/49/63/44/939496344.db2.gz OHEVYTKNSKEYNX-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267729435 939645731 /nfs/dbraw/zinc/64/57/31/939645731.db2.gz WHGSATYWCYZKNF-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267729435 939645733 /nfs/dbraw/zinc/64/57/33/939645733.db2.gz WHGSATYWCYZKNF-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267729435 939645734 /nfs/dbraw/zinc/64/57/34/939645734.db2.gz WHGSATYWCYZKNF-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267729435 939645736 /nfs/dbraw/zinc/64/57/36/939645736.db2.gz WHGSATYWCYZKNF-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267741865 939654340 /nfs/dbraw/zinc/65/43/40/939654340.db2.gz PRPSXEVESGLKPP-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267741865 939654341 /nfs/dbraw/zinc/65/43/41/939654341.db2.gz PRPSXEVESGLKPP-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267741865 939654342 /nfs/dbraw/zinc/65/43/42/939654342.db2.gz PRPSXEVESGLKPP-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267741865 939654345 /nfs/dbraw/zinc/65/43/45/939654345.db2.gz PRPSXEVESGLKPP-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267743916 939657271 /nfs/dbraw/zinc/65/72/71/939657271.db2.gz ABEVHQXCLUIIKR-ZIAGYGMSSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267743916 939657273 /nfs/dbraw/zinc/65/72/73/939657273.db2.gz ABEVHQXCLUIIKR-ZIAGYGMSSA-N 2 2 322.453 0.352 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001481242860 939664133 /nfs/dbraw/zinc/66/41/33/939664133.db2.gz YDKNFFVEAPWVFD-JSGCOSHPSA-N 2 2 319.409 0.585 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1 ZINC001481242860 939664134 /nfs/dbraw/zinc/66/41/34/939664134.db2.gz YDKNFFVEAPWVFD-JSGCOSHPSA-N 2 2 319.409 0.585 20 30 DCEDLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001268322949 940057811 /nfs/dbraw/zinc/05/78/11/940057811.db2.gz GQKXYKJMPFVICH-INIZCTEOSA-N 2 2 312.373 0.071 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ncccn1 ZINC001268690925 940332227 /nfs/dbraw/zinc/33/22/27/940332227.db2.gz VMULNFFWHBZCIQ-ZNMIVQPWSA-N 2 2 315.421 0.730 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ncccn1 ZINC001268690925 940332231 /nfs/dbraw/zinc/33/22/31/940332231.db2.gz VMULNFFWHBZCIQ-ZNMIVQPWSA-N 2 2 315.421 0.730 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001268979146 940423746 /nfs/dbraw/zinc/42/37/46/940423746.db2.gz YDVQRKUJGHEJPK-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001268979146 940423747 /nfs/dbraw/zinc/42/37/47/940423747.db2.gz YDVQRKUJGHEJPK-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001268979146 940423749 /nfs/dbraw/zinc/42/37/49/940423749.db2.gz YDVQRKUJGHEJPK-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001268979146 940423750 /nfs/dbraw/zinc/42/37/50/940423750.db2.gz YDVQRKUJGHEJPK-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001318374785 945333305 /nfs/dbraw/zinc/33/33/05/945333305.db2.gz WBYCVPOOJMEHLC-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001318374785 945333316 /nfs/dbraw/zinc/33/33/16/945333316.db2.gz WBYCVPOOJMEHLC-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001318374785 945333326 /nfs/dbraw/zinc/33/33/26/945333326.db2.gz WBYCVPOOJMEHLC-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001318374785 945333335 /nfs/dbraw/zinc/33/33/35/945333335.db2.gz WBYCVPOOJMEHLC-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP CC#CC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001269085786 940613120 /nfs/dbraw/zinc/61/31/20/940613120.db2.gz XUWCUJIAKPDDRC-OAHLLOKOSA-N 2 2 304.394 0.858 20 30 DCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001270744008 940980403 /nfs/dbraw/zinc/98/04/03/940980403.db2.gz FWIVUMXDMQYQLX-RHSMWYFYSA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001270768074 940985727 /nfs/dbraw/zinc/98/57/27/940985727.db2.gz BVHUUPNKXZANGP-KRWDZBQOSA-N 2 2 318.421 0.751 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001482439075 941221347 /nfs/dbraw/zinc/22/13/47/941221347.db2.gz KRQFNZGADPWLFR-CABCVRRESA-N 2 2 306.410 0.912 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001271122734 941272846 /nfs/dbraw/zinc/27/28/46/941272846.db2.gz YHOQVYBLGGQJMC-JSGCOSHPSA-N 2 2 319.409 0.176 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271201351 941321035 /nfs/dbraw/zinc/32/10/35/941321035.db2.gz QACFCXUKYNSJIX-BBRMVZONSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271201351 941321037 /nfs/dbraw/zinc/32/10/37/941321037.db2.gz QACFCXUKYNSJIX-BBRMVZONSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271201351 941321039 /nfs/dbraw/zinc/32/10/39/941321039.db2.gz QACFCXUKYNSJIX-BBRMVZONSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271201351 941321040 /nfs/dbraw/zinc/32/10/40/941321040.db2.gz QACFCXUKYNSJIX-BBRMVZONSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ocnc1C ZINC001483019735 941779742 /nfs/dbraw/zinc/77/97/42/941779742.db2.gz NUUGLXYAXNVCKD-RGDDUWESSA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ocnc1C ZINC001483019735 941779743 /nfs/dbraw/zinc/77/97/43/941779743.db2.gz NUUGLXYAXNVCKD-RGDDUWESSA-N 2 2 316.405 0.843 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440019 942403431 /nfs/dbraw/zinc/40/34/31/942403431.db2.gz BRXDWHVTPIWSFV-BZUAXINKSA-N 2 2 305.422 0.045 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001077440019 942403433 /nfs/dbraw/zinc/40/34/33/942403433.db2.gz BRXDWHVTPIWSFV-BZUAXINKSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)O2 ZINC001484785706 943569846 /nfs/dbraw/zinc/56/98/46/943569846.db2.gz AJPLKIGOPOVUEG-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)O2 ZINC001484785706 943569850 /nfs/dbraw/zinc/56/98/50/943569850.db2.gz AJPLKIGOPOVUEG-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001484855202 943601799 /nfs/dbraw/zinc/60/17/99/943601799.db2.gz HSCVHVWIGHMPOU-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001484869031 943606804 /nfs/dbraw/zinc/60/68/04/943606804.db2.gz ASHCVANJZXFQDA-AWEZNQCLSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001484869031 943606806 /nfs/dbraw/zinc/60/68/06/943606806.db2.gz ASHCVANJZXFQDA-AWEZNQCLSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001484908650 943623306 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C=CCN1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272807903 944240142 /nfs/dbraw/zinc/24/01/42/944240142.db2.gz IVOIQOJZFKMRKY-MRXNPFEDSA-N 2 2 302.378 0.483 20 30 DCEDLP C=CCN1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272807903 944240149 /nfs/dbraw/zinc/24/01/49/944240149.db2.gz IVOIQOJZFKMRKY-MRXNPFEDSA-N 2 2 302.378 0.483 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001486220870 944660258 /nfs/dbraw/zinc/66/02/58/944660258.db2.gz BTYDBBKQYRKUSB-KGLIPLIRSA-N 2 2 319.409 0.060 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486339794 944801889 /nfs/dbraw/zinc/80/18/89/944801889.db2.gz AAMVLBHSZBEECF-ZIAGYGMSSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486339794 944801893 /nfs/dbraw/zinc/80/18/93/944801893.db2.gz AAMVLBHSZBEECF-ZIAGYGMSSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486340773 944802847 /nfs/dbraw/zinc/80/28/47/944802847.db2.gz KHNSHWZXYFGOMJ-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486340773 944802855 /nfs/dbraw/zinc/80/28/55/944802855.db2.gz KHNSHWZXYFGOMJ-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486340773 944802862 /nfs/dbraw/zinc/80/28/62/944802862.db2.gz KHNSHWZXYFGOMJ-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486340773 944802867 /nfs/dbraw/zinc/80/28/67/944802867.db2.gz KHNSHWZXYFGOMJ-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317161448 944829962 /nfs/dbraw/zinc/82/99/62/944829962.db2.gz LBADCGAQCLMWMI-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP C[NH+]1CCC(C#N)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001320795226 946021303 /nfs/dbraw/zinc/02/13/03/946021303.db2.gz SYRDOXOPJIVITA-UHFFFAOYSA-N 2 2 310.361 0.985 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001278704687 946099283 /nfs/dbraw/zinc/09/92/83/946099283.db2.gz SUBZRTJUTYXNPD-PWSUYJOCSA-N 2 2 314.311 0.812 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001278733775 946147604 /nfs/dbraw/zinc/14/76/04/946147604.db2.gz MDMLYCXSKGYQPP-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321560730 946378278 /nfs/dbraw/zinc/37/82/78/946378278.db2.gz VKHDNEGRRQSENG-KGLIPLIRSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001278787650 946397343 /nfs/dbraw/zinc/39/73/43/946397343.db2.gz UATFRJLGXMAVRU-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001278787650 946397354 /nfs/dbraw/zinc/39/73/54/946397354.db2.gz UATFRJLGXMAVRU-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001278786664 946397704 /nfs/dbraw/zinc/39/77/04/946397704.db2.gz FXXRKNGBNJKKHB-INIZCTEOSA-N 2 2 300.362 0.916 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001278786664 946397716 /nfs/dbraw/zinc/39/77/16/946397716.db2.gz FXXRKNGBNJKKHB-INIZCTEOSA-N 2 2 300.362 0.916 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001321876210 946495426 /nfs/dbraw/zinc/49/54/26/946495426.db2.gz QVIICIADZLDPHW-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)o1 ZINC001321876210 946495433 /nfs/dbraw/zinc/49/54/33/946495433.db2.gz QVIICIADZLDPHW-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278865513 946501161 /nfs/dbraw/zinc/50/11/61/946501161.db2.gz ZRXDIUYBBIERNT-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278865513 946501171 /nfs/dbraw/zinc/50/11/71/946501171.db2.gz ZRXDIUYBBIERNT-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322307912 946647352 /nfs/dbraw/zinc/64/73/52/946647352.db2.gz SPXPGDSFUPEMKM-OLZOCXBDSA-N 2 2 307.398 0.010 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322307912 946647355 /nfs/dbraw/zinc/64/73/55/946647355.db2.gz SPXPGDSFUPEMKM-OLZOCXBDSA-N 2 2 307.398 0.010 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001325265971 947733213 /nfs/dbraw/zinc/73/32/13/947733213.db2.gz XITOHZDPGWIDOQ-OAHLLOKOSA-N 2 2 309.454 0.847 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001325265971 947733220 /nfs/dbraw/zinc/73/32/20/947733220.db2.gz XITOHZDPGWIDOQ-OAHLLOKOSA-N 2 2 309.454 0.847 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325861753 947957579 /nfs/dbraw/zinc/95/75/79/947957579.db2.gz VBEYCQMWHJIZGE-ZBFHGGJFSA-N 2 2 306.410 0.963 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325861753 947957586 /nfs/dbraw/zinc/95/75/86/947957586.db2.gz VBEYCQMWHJIZGE-ZBFHGGJFSA-N 2 2 306.410 0.963 20 30 DCEDLP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001325864492 947958085 /nfs/dbraw/zinc/95/80/85/947958085.db2.gz GENCUXFMQNXIHM-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001325864492 947958089 /nfs/dbraw/zinc/95/80/89/947958089.db2.gz GENCUXFMQNXIHM-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001263817051 948761257 /nfs/dbraw/zinc/76/12/57/948761257.db2.gz NQIPLKPAXGRYFU-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001263817051 948761267 /nfs/dbraw/zinc/76/12/67/948761267.db2.gz NQIPLKPAXGRYFU-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001263817051 948761271 /nfs/dbraw/zinc/76/12/71/948761271.db2.gz NQIPLKPAXGRYFU-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001263817051 948761281 /nfs/dbraw/zinc/76/12/81/948761281.db2.gz NQIPLKPAXGRYFU-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265448260 949694266 /nfs/dbraw/zinc/69/42/66/949694266.db2.gz QBTVSTMBXGUNNX-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001331133091 950943337 /nfs/dbraw/zinc/94/33/37/950943337.db2.gz OLYQFZZDWYEMQI-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001331133091 950943359 /nfs/dbraw/zinc/94/33/59/950943359.db2.gz OLYQFZZDWYEMQI-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP N#CCC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001274032057 951344927 /nfs/dbraw/zinc/34/49/27/951344927.db2.gz GNKJBONZYXNIQM-INIZCTEOSA-N 2 2 315.377 0.638 20 30 DCEDLP N#CCC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001274032057 951344939 /nfs/dbraw/zinc/34/49/39/951344939.db2.gz GNKJBONZYXNIQM-INIZCTEOSA-N 2 2 315.377 0.638 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC001331968233 951413668 /nfs/dbraw/zinc/41/36/68/951413668.db2.gz GDOZUVQHASGQRY-LRDDRELGSA-N 2 2 311.426 0.657 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001332290496 951567989 /nfs/dbraw/zinc/56/79/89/951567989.db2.gz DULWARUTYQOUDE-HZPDHXFCSA-N 2 2 318.421 0.798 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274617079 951744145 /nfs/dbraw/zinc/74/41/45/951744145.db2.gz UARKJAMULXUMIV-BFYDXBDKSA-N 2 2 318.421 0.885 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274617079 951744149 /nfs/dbraw/zinc/74/41/49/951744149.db2.gz UARKJAMULXUMIV-BFYDXBDKSA-N 2 2 318.421 0.885 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC001280585612 951843597 /nfs/dbraw/zinc/84/35/97/951843597.db2.gz YTOZLRNCQZAMFM-OAHLLOKOSA-N 2 2 316.405 0.212 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001340986385 953206572 /nfs/dbraw/zinc/20/65/72/953206572.db2.gz ICPQNXFGJDGJTG-ZIAGYGMSSA-N 2 2 311.426 0.766 20 30 DCEDLP C[NH+](C)Cc1csc(CNC(=O)C#CC2CC[NH2+]CC2)n1 ZINC001342544055 953295275 /nfs/dbraw/zinc/29/52/75/953295275.db2.gz NIJKGECIGMWQBG-UHFFFAOYSA-N 2 2 306.435 0.824 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001282595269 953632357 /nfs/dbraw/zinc/63/23/57/953632357.db2.gz YLDYAHIFFYDGDD-UHFFFAOYSA-N 2 2 304.394 0.504 20 30 DCEDLP C[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366520883 954327596 /nfs/dbraw/zinc/32/75/96/954327596.db2.gz IDVHCKHEIBXYDJ-AWEZNQCLSA-N 2 2 322.434 0.498 20 30 DCEDLP C[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366520883 954327611 /nfs/dbraw/zinc/32/76/11/954327611.db2.gz IDVHCKHEIBXYDJ-AWEZNQCLSA-N 2 2 322.434 0.498 20 30 DCEDLP C[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366520883 954327625 /nfs/dbraw/zinc/32/76/25/954327625.db2.gz IDVHCKHEIBXYDJ-AWEZNQCLSA-N 2 2 322.434 0.498 20 30 DCEDLP C[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366520883 954327639 /nfs/dbraw/zinc/32/76/39/954327639.db2.gz IDVHCKHEIBXYDJ-AWEZNQCLSA-N 2 2 322.434 0.498 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284501865 955135101 /nfs/dbraw/zinc/13/51/01/955135101.db2.gz JKXVEJCYWIPCCF-AWEZNQCLSA-N 2 2 314.389 0.951 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284501865 955135104 /nfs/dbraw/zinc/13/51/04/955135104.db2.gz JKXVEJCYWIPCCF-AWEZNQCLSA-N 2 2 314.389 0.951 20 30 DCEDLP C#C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001356597298 956906107 /nfs/dbraw/zinc/90/61/07/956906107.db2.gz SSXBUBWIJQYTEE-IAGOWNOFSA-N 2 2 305.397 0.698 20 30 DCEDLP C=C(Cl)CN1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001377734839 960529825 /nfs/dbraw/zinc/52/98/25/960529825.db2.gz VUQZXHQHJNBODT-UHFFFAOYSA-N 2 2 316.877 0.767 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001382256202 967125902 /nfs/dbraw/zinc/12/59/02/967125902.db2.gz RHSQGZRYVNVQEL-AWEZNQCLSA-N 2 2 313.361 0.091 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001502592561 1015988265 /nfs/dbraw/zinc/98/82/65/1015988265.db2.gz SOXDLVAOAMIKPW-ZBFHGGJFSA-N 2 2 306.410 0.963 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001505529109 1016287945 /nfs/dbraw/zinc/28/79/45/1016287945.db2.gz CAOQUKIFWPWOIG-UHFFFAOYSA-N 2 2 304.394 0.097 20 30 DCEDLP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001507487198 1016400596 /nfs/dbraw/zinc/40/05/96/1016400596.db2.gz HYFPTLLYTDMZRL-CQSZACIVSA-N 2 2 305.378 0.065 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439026802 1006382047 /nfs/dbraw/zinc/38/20/47/1006382047.db2.gz OCEMWANPZGLYRC-RYUDHWBXSA-N 2 2 300.790 0.653 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001441724855 1008478534 /nfs/dbraw/zinc/47/85/34/1008478534.db2.gz VIXYXHVJDNVHCM-RYUDHWBXSA-N 2 2 312.801 0.265 20 30 DCEDLP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498571490 1019238719 /nfs/dbraw/zinc/23/87/19/1019238719.db2.gz IVDVCZJJCYTGOK-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496727757 1019582110 /nfs/dbraw/zinc/58/21/10/1019582110.db2.gz BRGDIXJJXBRFMU-OAHLLOKOSA-N 2 2 318.421 0.486 20 30 DCEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496727757 1019582120 /nfs/dbraw/zinc/58/21/20/1019582120.db2.gz BRGDIXJJXBRFMU-OAHLLOKOSA-N 2 2 318.421 0.486 20 30 DCEDLP C[N@H+](CC(=O)NCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309337 529832733 /nfs/dbraw/zinc/83/27/33/529832733.db2.gz PAQWCTSDZGUWPD-QGZVFWFLSA-N 2 2 316.405 0.195 20 30 DCEDLP C[N@@H+](CC(=O)NCC#N)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309337 529832734 /nfs/dbraw/zinc/83/27/34/529832734.db2.gz PAQWCTSDZGUWPD-QGZVFWFLSA-N 2 2 316.405 0.195 20 30 DCEDLP C[NH+](CC(=O)NCC#N)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188309337 529832735 /nfs/dbraw/zinc/83/27/35/529832735.db2.gz PAQWCTSDZGUWPD-QGZVFWFLSA-N 2 2 316.405 0.195 20 30 DCEDLP C[NH+](CC(=O)NCC#N)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188309337 529832737 /nfs/dbraw/zinc/83/27/37/529832737.db2.gz PAQWCTSDZGUWPD-QGZVFWFLSA-N 2 2 316.405 0.195 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000491425651 241124175 /nfs/dbraw/zinc/12/41/75/241124175.db2.gz BJEZYODALWCXAS-QGZVFWFLSA-N 2 2 320.481 0.616 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000491425651 241124180 /nfs/dbraw/zinc/12/41/80/241124180.db2.gz BJEZYODALWCXAS-QGZVFWFLSA-N 2 2 320.481 0.616 20 30 DCEDLP CN(CCC#N)C(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000092806286 395733118 /nfs/dbraw/zinc/73/31/18/395733118.db2.gz SUDVDODETAOVJY-UHFFFAOYSA-N 2 2 304.398 0.304 20 30 DCEDLP Cc1[nH+]ccn1CCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267396510 396355997 /nfs/dbraw/zinc/35/59/97/396355997.db2.gz FAGYQSAFBHMAOP-UHFFFAOYSA-N 3 2 322.457 0.598 20 30 DCEDLP C[C@@H](CC[NH+](C)C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572393807 397054637 /nfs/dbraw/zinc/05/46/37/397054637.db2.gz YSJVTQSATMMSNT-LBPRGKRZSA-N 2 2 310.423 0.657 20 30 DCEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000598597843 397255817 /nfs/dbraw/zinc/25/58/17/397255817.db2.gz UTZYOGKOMNQXGU-GJZGRUSLSA-N 2 2 322.453 0.701 20 30 DCEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000598597843 397255819 /nfs/dbraw/zinc/25/58/19/397255819.db2.gz UTZYOGKOMNQXGU-GJZGRUSLSA-N 2 2 322.453 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H](CCOC)C2)CC1 ZINC000490986793 397498947 /nfs/dbraw/zinc/49/89/47/397498947.db2.gz VMSFROXEODRNPW-QGZVFWFLSA-N 2 2 321.465 0.902 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000490924501 397499070 /nfs/dbraw/zinc/49/90/70/397499070.db2.gz QAHDVFQBOANIHH-QGZVFWFLSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000490924501 397499071 /nfs/dbraw/zinc/49/90/71/397499071.db2.gz QAHDVFQBOANIHH-QGZVFWFLSA-N 2 2 319.449 0.655 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000104164675 415623995 /nfs/dbraw/zinc/62/39/95/415623995.db2.gz HYJSXUWAODWLJN-AWEZNQCLSA-N 2 2 320.437 0.958 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000333654076 415705264 /nfs/dbraw/zinc/70/52/64/415705264.db2.gz KIVMISLSVYHZKZ-MRXNPFEDSA-N 2 2 313.405 0.747 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000330385080 416203052 /nfs/dbraw/zinc/20/30/52/416203052.db2.gz LCPNTPPERIXFNS-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283085 416334476 /nfs/dbraw/zinc/33/44/76/416334476.db2.gz HVFYSSDGVLSFTB-IXDOHACOSA-N 2 2 320.481 0.615 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000250283085 416334477 /nfs/dbraw/zinc/33/44/77/416334477.db2.gz HVFYSSDGVLSFTB-IXDOHACOSA-N 2 2 320.481 0.615 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C)CC1 ZINC000491555261 416605537 /nfs/dbraw/zinc/60/55/37/416605537.db2.gz PYJUZKILCAXMBI-HNNXBMFYSA-N 2 2 309.454 0.493 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C)CC1 ZINC000491555261 416605539 /nfs/dbraw/zinc/60/55/39/416605539.db2.gz PYJUZKILCAXMBI-HNNXBMFYSA-N 2 2 309.454 0.493 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000491662752 416611649 /nfs/dbraw/zinc/61/16/49/416611649.db2.gz MHKQMOWSJANQTD-UHFFFAOYSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000491662752 416611653 /nfs/dbraw/zinc/61/16/53/416611653.db2.gz MHKQMOWSJANQTD-UHFFFAOYSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000490761204 416575794 /nfs/dbraw/zinc/57/57/94/416575794.db2.gz SFTOKLRFLAPYDV-UHFFFAOYSA-N 2 2 315.421 0.367 20 30 DCEDLP CCc1nc(C#N)cc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000596149909 416578546 /nfs/dbraw/zinc/57/85/46/416578546.db2.gz CCMVKADGHWMJBA-UHFFFAOYSA-N 2 2 302.426 1.349 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)C2CCCCC2)CC1 ZINC000490937381 416580902 /nfs/dbraw/zinc/58/09/02/416580902.db2.gz UKVNMMYKEKBFRU-INIZCTEOSA-N 2 2 307.438 0.295 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)CC1 ZINC000491040032 416582670 /nfs/dbraw/zinc/58/26/70/416582670.db2.gz RTJJGNYFLUCUAF-DOTOQJQBSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1 ZINC000491040038 416582779 /nfs/dbraw/zinc/58/27/79/416582779.db2.gz RTJJGNYFLUCUAF-WBVHZDCISA-N 2 2 307.438 0.247 20 30 DCEDLP C[NH+]1CCC(C#N)(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000568814702 417179540 /nfs/dbraw/zinc/17/95/40/417179540.db2.gz HOEQGSYIFMKWKO-UHFFFAOYSA-N 2 2 317.393 0.988 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000576029780 417572826 /nfs/dbraw/zinc/57/28/26/417572826.db2.gz ATCPWIVGSHACOO-CABCVRRESA-N 2 2 305.426 0.962 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000576029780 417572828 /nfs/dbraw/zinc/57/28/28/417572828.db2.gz ATCPWIVGSHACOO-CABCVRRESA-N 2 2 305.426 0.962 20 30 DCEDLP CC#CC[NH2+]Cc1cn([C@H](C)C(=O)N2CC[NH+](CC)CC2)nn1 ZINC000640831239 417927352 /nfs/dbraw/zinc/92/73/52/417927352.db2.gz SCFWGYQTYMRBOC-CQSZACIVSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cncc(F)c2)CC1 ZINC000491340709 333024708 /nfs/dbraw/zinc/02/47/08/333024708.db2.gz ZPWWCVNJYOQLKQ-ZDUSSCGKSA-N 2 2 304.369 0.649 20 30 DCEDLP CCN1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1=O ZINC000329930119 336096402 /nfs/dbraw/zinc/09/64/02/336096402.db2.gz ZJZIUVKRXRUPHS-UHFFFAOYSA-N 2 2 310.442 0.981 20 30 DCEDLP CCN1CCC[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1=O ZINC000329930119 336096403 /nfs/dbraw/zinc/09/64/03/336096403.db2.gz ZJZIUVKRXRUPHS-UHFFFAOYSA-N 2 2 310.442 0.981 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261751099 526389497 /nfs/dbraw/zinc/38/94/97/526389497.db2.gz LVBDOMSYDALTLP-OLZOCXBDSA-N 2 2 322.457 0.965 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655011 527925363 /nfs/dbraw/zinc/92/53/63/527925363.db2.gz YBYHDGXLCLKBSL-INIZCTEOSA-N 2 2 310.442 0.429 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655011 527925367 /nfs/dbraw/zinc/92/53/67/527925367.db2.gz YBYHDGXLCLKBSL-INIZCTEOSA-N 2 2 310.442 0.429 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H](C)COC)CC1 ZINC000981365662 661140269 /nfs/dbraw/zinc/14/02/69/661140269.db2.gz UDXKAKNNBRAQAH-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@@H](C)COC)CC1 ZINC000981365662 661140270 /nfs/dbraw/zinc/14/02/70/661140270.db2.gz UDXKAKNNBRAQAH-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@@H](C)COC)CC1 ZINC000981365662 661140271 /nfs/dbraw/zinc/14/02/71/661140271.db2.gz UDXKAKNNBRAQAH-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@@H](C)COC)CC1 ZINC000981365662 661140273 /nfs/dbraw/zinc/14/02/73/661140273.db2.gz UDXKAKNNBRAQAH-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC000970791945 657910475 /nfs/dbraw/zinc/91/04/75/657910475.db2.gz DLWBBHMFGWPNCL-CQSZACIVSA-N 2 2 317.393 0.105 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641828 658145114 /nfs/dbraw/zinc/14/51/14/658145114.db2.gz YKGSNQOAHZLSMF-KRWDZBQOSA-N 2 2 305.422 0.572 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972641828 658145116 /nfs/dbraw/zinc/14/51/16/658145116.db2.gz YKGSNQOAHZLSMF-KRWDZBQOSA-N 2 2 305.422 0.572 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699558 658277361 /nfs/dbraw/zinc/27/73/61/658277361.db2.gz GTWZUZJZOVKYTN-MRXNPFEDSA-N 2 2 302.378 0.210 20 30 DCEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699558 658277367 /nfs/dbraw/zinc/27/73/67/658277367.db2.gz GTWZUZJZOVKYTN-MRXNPFEDSA-N 2 2 302.378 0.210 20 30 DCEDLP C#C[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000934509347 658467233 /nfs/dbraw/zinc/46/72/33/658467233.db2.gz BIJOODCMBNTTBQ-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934509347 658467235 /nfs/dbraw/zinc/46/72/35/658467235.db2.gz BIJOODCMBNTTBQ-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000934509347 658467236 /nfs/dbraw/zinc/46/72/36/658467236.db2.gz BIJOODCMBNTTBQ-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000934509347 658467239 /nfs/dbraw/zinc/46/72/39/658467239.db2.gz BIJOODCMBNTTBQ-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437381 658768312 /nfs/dbraw/zinc/76/83/12/658768312.db2.gz IWOFHLKGYBSCRB-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437381 658768316 /nfs/dbraw/zinc/76/83/16/658768316.db2.gz IWOFHLKGYBSCRB-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437381 658768320 /nfs/dbraw/zinc/76/83/20/658768320.db2.gz IWOFHLKGYBSCRB-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437381 658768325 /nfs/dbraw/zinc/76/83/25/658768325.db2.gz IWOFHLKGYBSCRB-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466306 658825676 /nfs/dbraw/zinc/82/56/76/658825676.db2.gz QGGIASPFIRIPSW-MRXNPFEDSA-N 2 2 304.394 0.681 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466306 658825681 /nfs/dbraw/zinc/82/56/81/658825681.db2.gz QGGIASPFIRIPSW-MRXNPFEDSA-N 2 2 304.394 0.681 20 30 DCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977617746 659793691 /nfs/dbraw/zinc/79/36/91/659793691.db2.gz QFYWJRSMWAZUSK-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977617746 659793693 /nfs/dbraw/zinc/79/36/93/659793693.db2.gz QFYWJRSMWAZUSK-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977617746 659793698 /nfs/dbraw/zinc/79/36/98/659793698.db2.gz QFYWJRSMWAZUSK-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977617746 659793702 /nfs/dbraw/zinc/79/37/02/659793702.db2.gz QFYWJRSMWAZUSK-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000924034914 661390442 /nfs/dbraw/zinc/39/04/42/661390442.db2.gz GFDHOCNKCWLAKW-CVEARBPZSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000924034914 661390446 /nfs/dbraw/zinc/39/04/46/661390446.db2.gz GFDHOCNKCWLAKW-CVEARBPZSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001028551876 661605397 /nfs/dbraw/zinc/60/53/97/661605397.db2.gz AKPYUPXHHXICEX-BBRMVZONSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[NH+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001028551876 661605398 /nfs/dbraw/zinc/60/53/98/661605398.db2.gz AKPYUPXHHXICEX-BBRMVZONSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028551876 661605399 /nfs/dbraw/zinc/60/53/99/661605399.db2.gz AKPYUPXHHXICEX-BBRMVZONSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028551876 661605401 /nfs/dbraw/zinc/60/54/01/661605401.db2.gz AKPYUPXHHXICEX-BBRMVZONSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028923534 661890034 /nfs/dbraw/zinc/89/00/34/661890034.db2.gz DQILCQJCCKEROU-AWEZNQCLSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028923534 661890037 /nfs/dbraw/zinc/89/00/37/661890037.db2.gz DQILCQJCCKEROU-AWEZNQCLSA-N 2 2 309.373 0.952 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648014 665822120 /nfs/dbraw/zinc/82/21/20/665822120.db2.gz VMBBOIMNOXSHSO-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648014 665822122 /nfs/dbraw/zinc/82/21/22/665822122.db2.gz VMBBOIMNOXSHSO-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648014 665822126 /nfs/dbraw/zinc/82/21/26/665822126.db2.gz VMBBOIMNOXSHSO-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931687 665937371 /nfs/dbraw/zinc/93/73/71/665937371.db2.gz LMABVALGTMDEDB-HNNXBMFYSA-N 2 2 300.406 0.825 20 30 DCEDLP C/C(=C/C(=O)N(CCC#N)CCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900377797 663238973 /nfs/dbraw/zinc/23/89/73/663238973.db2.gz FTJFOUVMPREMBI-PEZBUJJGSA-N 2 2 322.453 0.959 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000917015394 665108946 /nfs/dbraw/zinc/10/89/46/665108946.db2.gz HWCRDTLIZWMTIF-HUUCEWRRSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)CC2)C1 ZINC000941431625 665996623 /nfs/dbraw/zinc/99/66/23/665996623.db2.gz QUMRQAXVALJEBQ-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431625 665996625 /nfs/dbraw/zinc/99/66/25/665996625.db2.gz QUMRQAXVALJEBQ-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C)C2)CC1 ZINC000941440239 665999175 /nfs/dbraw/zinc/99/91/75/665999175.db2.gz FOESKVAVYHPRBH-KRWDZBQOSA-N 2 2 316.449 0.098 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC=C)C2)CC1 ZINC000941440239 665999177 /nfs/dbraw/zinc/99/91/77/665999177.db2.gz FOESKVAVYHPRBH-KRWDZBQOSA-N 2 2 316.449 0.098 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941553951 666019281 /nfs/dbraw/zinc/01/92/81/666019281.db2.gz UJQIGZBBJCLPBO-QGZVFWFLSA-N 2 2 320.481 0.424 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638497 666033535 /nfs/dbraw/zinc/03/35/35/666033535.db2.gz FZQABZFWOOFVDI-INIZCTEOSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638497 666033536 /nfs/dbraw/zinc/03/35/36/666033536.db2.gz FZQABZFWOOFVDI-INIZCTEOSA-N 2 2 318.465 0.180 20 30 DCEDLP C=CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000941686281 666042404 /nfs/dbraw/zinc/04/24/04/666042404.db2.gz GTNKUMXOOOKXFU-UHFFFAOYSA-N 2 2 303.410 0.288 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000921555598 667226356 /nfs/dbraw/zinc/22/63/56/667226356.db2.gz PSPPWYALUHDTIM-HIFRSBDPSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000921555598 667226358 /nfs/dbraw/zinc/22/63/58/667226358.db2.gz PSPPWYALUHDTIM-HIFRSBDPSA-N 2 2 308.426 0.102 20 30 DCEDLP C=CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997345724 667248963 /nfs/dbraw/zinc/24/89/63/667248963.db2.gz PRNKWUBPJCYWIV-INIZCTEOSA-N 2 2 307.438 0.864 20 30 DCEDLP C[C@H](O)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000865739231 667343169 /nfs/dbraw/zinc/34/31/69/667343169.db2.gz TZXRVDKTNJKNDI-SUMWQHHRSA-N 2 2 303.406 0.854 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)CCO2)CC1 ZINC001035615417 667393272 /nfs/dbraw/zinc/39/32/72/667393272.db2.gz WACVCKFSJMMPJC-QGZVFWFLSA-N 2 2 319.449 0.725 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=C)C)CCO2)CC1 ZINC001035615417 667393274 /nfs/dbraw/zinc/39/32/74/667393274.db2.gz WACVCKFSJMMPJC-QGZVFWFLSA-N 2 2 319.449 0.725 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000923561356 667562946 /nfs/dbraw/zinc/56/29/46/667562946.db2.gz ALNOHVHJGBWBFG-MRXNPFEDSA-N 2 2 300.406 0.971 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000923561356 667562948 /nfs/dbraw/zinc/56/29/48/667562948.db2.gz ALNOHVHJGBWBFG-MRXNPFEDSA-N 2 2 300.406 0.971 20 30 DCEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886081334 667729535 /nfs/dbraw/zinc/72/95/35/667729535.db2.gz MIHUOCZQYRIXNN-AWEZNQCLSA-N 2 2 303.410 0.987 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870002 667811136 /nfs/dbraw/zinc/81/11/36/667811136.db2.gz NCYPSDNEQITWTF-CJNGLKHVSA-N 2 2 308.426 0.852 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870002 667811139 /nfs/dbraw/zinc/81/11/39/667811139.db2.gz NCYPSDNEQITWTF-CJNGLKHVSA-N 2 2 308.426 0.852 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000877220825 668577859 /nfs/dbraw/zinc/57/78/59/668577859.db2.gz KKNHFGOJKHHZEG-AWEZNQCLSA-N 2 2 323.828 0.633 20 30 DCEDLP C=C(C)CC[NH+]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948750991 670173148 /nfs/dbraw/zinc/17/31/48/670173148.db2.gz JAFOEQHPFGVREP-INIZCTEOSA-N 2 2 319.453 0.924 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000818039526 670963431 /nfs/dbraw/zinc/96/34/31/670963431.db2.gz ZNKVECUCHIOQTM-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000818039526 670963433 /nfs/dbraw/zinc/96/34/33/670963433.db2.gz ZNKVECUCHIOQTM-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](CC)C[C@@H]21 ZINC000818039526 670963434 /nfs/dbraw/zinc/96/34/34/670963434.db2.gz ZNKVECUCHIOQTM-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](CC)C[C@@H]21 ZINC000818039526 670963436 /nfs/dbraw/zinc/96/34/36/670963436.db2.gz ZNKVECUCHIOQTM-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000834488363 671763622 /nfs/dbraw/zinc/76/36/22/671763622.db2.gz BYIXLVKUDIMANV-BZUAXINKSA-N 2 2 314.389 0.115 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000834488363 671763625 /nfs/dbraw/zinc/76/36/25/671763625.db2.gz BYIXLVKUDIMANV-BZUAXINKSA-N 2 2 314.389 0.115 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](C[C@H](C)O)C2)CC1 ZINC000957422273 687059659 /nfs/dbraw/zinc/05/96/59/687059659.db2.gz RDCCYBUMXZZPII-AWEZNQCLSA-N 2 2 307.438 0.245 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC000968952208 690433489 /nfs/dbraw/zinc/43/34/89/690433489.db2.gz FNSWFLOQWVWCOD-ZBFHGGJFSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC000968952208 690433491 /nfs/dbraw/zinc/43/34/91/690433491.db2.gz FNSWFLOQWVWCOD-ZBFHGGJFSA-N 2 2 316.405 0.771 20 30 DCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001019192701 693383666 /nfs/dbraw/zinc/38/36/66/693383666.db2.gz NUDCEANBNZQNTR-HOTGVXAUSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001019192701 693383672 /nfs/dbraw/zinc/38/36/72/693383672.db2.gz NUDCEANBNZQNTR-HOTGVXAUSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074384808 694882681 /nfs/dbraw/zinc/88/26/81/694882681.db2.gz MUTIYOLRCCDESB-HZPDHXFCSA-N 2 2 317.433 0.407 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074384808 694882683 /nfs/dbraw/zinc/88/26/83/694882683.db2.gz MUTIYOLRCCDESB-HZPDHXFCSA-N 2 2 317.433 0.407 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001571504670 1162787617 /nfs/dbraw/zinc/78/76/17/1162787617.db2.gz HIVIKWMBDJRKLD-RDJZCZTQSA-N 2 2 316.405 0.646 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001571504670 1162787621 /nfs/dbraw/zinc/78/76/21/1162787621.db2.gz HIVIKWMBDJRKLD-RDJZCZTQSA-N 2 2 316.405 0.646 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001691215583 1157614163 /nfs/dbraw/zinc/61/41/63/1157614163.db2.gz VXIHYHYNOKNWJX-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001691215583 1157614167 /nfs/dbraw/zinc/61/41/67/1157614167.db2.gz VXIHYHYNOKNWJX-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@H+](C)CCOCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001692306750 1157784923 /nfs/dbraw/zinc/78/49/23/1157784923.db2.gz AFFMLLINQPEAPW-UHFFFAOYSA-N 2 2 306.410 0.393 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001692306750 1157784925 /nfs/dbraw/zinc/78/49/25/1157784925.db2.gz AFFMLLINQPEAPW-UHFFFAOYSA-N 2 2 306.410 0.393 20 30 DCEDLP COCC#CC[N@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001732598047 1158124277 /nfs/dbraw/zinc/12/42/77/1158124277.db2.gz MZAOPAXRFBCAGM-UHFFFAOYSA-N 2 2 306.410 0.393 20 30 DCEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001732598047 1158124280 /nfs/dbraw/zinc/12/42/80/1158124280.db2.gz MZAOPAXRFBCAGM-UHFFFAOYSA-N 2 2 306.410 0.393 20 30 DCEDLP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001566518635 1160037431 /nfs/dbraw/zinc/03/74/31/1160037431.db2.gz INHCWADLSUWPCM-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001566518635 1160037437 /nfs/dbraw/zinc/03/74/37/1160037437.db2.gz INHCWADLSUWPCM-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001566518635 1160037446 /nfs/dbraw/zinc/03/74/46/1160037446.db2.gz INHCWADLSUWPCM-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001566518635 1160037454 /nfs/dbraw/zinc/03/74/54/1160037454.db2.gz INHCWADLSUWPCM-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001567511576 1160402946 /nfs/dbraw/zinc/40/29/46/1160402946.db2.gz ZNEMBVCUSMPFPZ-JSGCOSHPSA-N 2 2 319.409 0.585 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001567511576 1160402947 /nfs/dbraw/zinc/40/29/47/1160402947.db2.gz ZNEMBVCUSMPFPZ-JSGCOSHPSA-N 2 2 319.409 0.585 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ncc(C)o1 ZINC001568176839 1160592307 /nfs/dbraw/zinc/59/23/07/1160592307.db2.gz LDSUAFOITHQVLT-HIFRSBDPSA-N 2 2 318.421 0.923 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ncc(C)o1 ZINC001568176839 1160592312 /nfs/dbraw/zinc/59/23/12/1160592312.db2.gz LDSUAFOITHQVLT-HIFRSBDPSA-N 2 2 318.421 0.923 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001568493778 1160659867 /nfs/dbraw/zinc/65/98/67/1160659867.db2.gz FNWOFOIHFASWSO-CABCVRRESA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001568493778 1160659868 /nfs/dbraw/zinc/65/98/68/1160659868.db2.gz FNWOFOIHFASWSO-CABCVRRESA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568493778 1160659872 /nfs/dbraw/zinc/65/98/72/1160659872.db2.gz FNWOFOIHFASWSO-CABCVRRESA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568493778 1160659874 /nfs/dbraw/zinc/65/98/74/1160659874.db2.gz FNWOFOIHFASWSO-CABCVRRESA-N 2 2 324.469 0.552 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2cnon2)CC1 ZINC001568969377 1160903800 /nfs/dbraw/zinc/90/38/00/1160903800.db2.gz LDCNTFWCGJOAPH-ARJAWSKDSA-N 2 2 317.393 0.177 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001569751067 1161223156 /nfs/dbraw/zinc/22/31/56/1161223156.db2.gz JVAQOKADWHZZHV-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001569751067 1161223158 /nfs/dbraw/zinc/22/31/58/1161223158.db2.gz JVAQOKADWHZZHV-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP 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319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001664772371 1174456428 /nfs/dbraw/zinc/45/64/28/1174456428.db2.gz UXMNWQYUNBLEGO-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001664772371 1174456430 /nfs/dbraw/zinc/45/64/30/1174456430.db2.gz UXMNWQYUNBLEGO-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001668893988 1174857884 /nfs/dbraw/zinc/85/78/84/1174857884.db2.gz PLEGKTMTHGBPNE-FAAWYNLUSA-N 2 2 316.405 0.357 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nc(C)no2)CC1 ZINC001669750895 1174946661 /nfs/dbraw/zinc/94/66/61/1174946661.db2.gz SFQFHHXVJFEMGQ-LBPRGKRZSA-N 2 2 319.409 0.318 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001671815146 1175037857 /nfs/dbraw/zinc/03/78/57/1175037857.db2.gz ICCYYDWRVICLIA-MRXNPFEDSA-N 2 2 304.394 0.361 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001672124796 1175080771 /nfs/dbraw/zinc/08/07/71/1175080771.db2.gz AWWOVQNWPLXUPC-HNNXBMFYSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001672124796 1175080778 /nfs/dbraw/zinc/08/07/78/1175080778.db2.gz AWWOVQNWPLXUPC-HNNXBMFYSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001674047917 1175248733 /nfs/dbraw/zinc/24/87/33/1175248733.db2.gz VREHQORJSBEZIV-QGZVFWFLSA-N 2 2 320.481 0.568 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001676766297 1175487909 /nfs/dbraw/zinc/48/79/09/1175487909.db2.gz BXSRWXJUJZQENP-KGLIPLIRSA-N 2 2 306.410 0.744 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001688905430 1176651776 /nfs/dbraw/zinc/65/17/76/1176651776.db2.gz VLIPDRASETXDKG-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001689208790 1176743142 /nfs/dbraw/zinc/74/31/42/1176743142.db2.gz ZALNRAAPZLLNLG-OAHLLOKOSA-N 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ZINC001690593338 1177276859 /nfs/dbraw/zinc/27/68/59/1177276859.db2.gz BBDFBUJDIRROKC-ZIAGYGMSSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691933218 1177386166 /nfs/dbraw/zinc/38/61/66/1177386166.db2.gz WHZHKZSUBOLNNH-QWHCGFSZSA-N 2 2 319.409 0.129 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001699048673 1177798179 /nfs/dbraw/zinc/79/81/79/1177798179.db2.gz JNOOABHPRLQTEI-UKRRQHHQSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624767 1178223757 /nfs/dbraw/zinc/22/37/57/1178223757.db2.gz WBZFAGFVPNACMH-DZGCQCFKSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624767 1178223764 /nfs/dbraw/zinc/22/37/64/1178223764.db2.gz WBZFAGFVPNACMH-DZGCQCFKSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624767 1178223773 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20 30 DCEDLP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001700244314 1178551628 /nfs/dbraw/zinc/55/16/28/1178551628.db2.gz BIWVBJOSIBSIBT-AWEZNQCLSA-N 2 2 311.426 0.148 20 30 DCEDLP C=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001700703721 1178713271 /nfs/dbraw/zinc/71/32/71/1178713271.db2.gz BYZVVGUOUCDWDE-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001700703721 1178713274 /nfs/dbraw/zinc/71/32/74/1178713274.db2.gz BYZVVGUOUCDWDE-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC001700918462 1178802485 /nfs/dbraw/zinc/80/24/85/1178802485.db2.gz KAWNMDLOWJZPOP-HNNXBMFYSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC001700918462 1178802502 /nfs/dbraw/zinc/80/25/02/1178802502.db2.gz KAWNMDLOWJZPOP-HNNXBMFYSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001713809771 1181085162 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DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001714480626 1181385902 /nfs/dbraw/zinc/38/59/02/1181385902.db2.gz LSJCIGOSNNYRCP-CQSZACIVSA-N 2 2 306.410 0.487 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cn(C)nc1C ZINC001714547051 1181410038 /nfs/dbraw/zinc/41/00/38/1181410038.db2.gz DXHCOGOLQWKZKO-INIZCTEOSA-N 2 2 317.437 0.374 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cn(C)nc1C ZINC001714547051 1181410040 /nfs/dbraw/zinc/41/00/40/1181410040.db2.gz DXHCOGOLQWKZKO-INIZCTEOSA-N 2 2 317.437 0.374 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cn(C)nc1C ZINC001714547051 1181410050 /nfs/dbraw/zinc/41/00/50/1181410050.db2.gz DXHCOGOLQWKZKO-INIZCTEOSA-N 2 2 317.437 0.374 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cn(C)nc1C ZINC001714547051 1181410052 /nfs/dbraw/zinc/41/00/52/1181410052.db2.gz DXHCOGOLQWKZKO-INIZCTEOSA-N 2 2 317.437 0.374 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](CC)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001715088608 1181684906 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318.421 0.723 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001717014012 1182622489 /nfs/dbraw/zinc/62/24/89/1182622489.db2.gz ARZJOEGUSNNBKS-GASCZTMLSA-N 2 2 318.421 0.853 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001717014012 1182622490 /nfs/dbraw/zinc/62/24/90/1182622490.db2.gz ARZJOEGUSNNBKS-GASCZTMLSA-N 2 2 318.421 0.853 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001717175267 1182711165 /nfs/dbraw/zinc/71/11/65/1182711165.db2.gz MMTASPSNUJQDNE-HNNXBMFYSA-N 2 2 318.421 0.767 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001717257525 1182752501 /nfs/dbraw/zinc/75/25/01/1182752501.db2.gz GBOOYELSVZHTGJ-WMLDXEAASA-N 2 2 318.421 0.555 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001717284174 1182765923 /nfs/dbraw/zinc/76/59/23/1182765923.db2.gz QZQDXNVAXOBVPG-LSDHHAIUSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001717305019 1182773160 /nfs/dbraw/zinc/77/31/60/1182773160.db2.gz AYJOHQVAFDMFMQ-UHFFFAOYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725295235 1184756941 /nfs/dbraw/zinc/75/69/41/1184756941.db2.gz XIFZIOMKGUWSET-OAHLLOKOSA-N 2 2 318.421 0.668 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725295235 1184756947 /nfs/dbraw/zinc/75/69/47/1184756947.db2.gz XIFZIOMKGUWSET-OAHLLOKOSA-N 2 2 318.421 0.668 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001725538079 1184869539 /nfs/dbraw/zinc/86/95/39/1184869539.db2.gz PKXNGNUGOYYRQI-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(=O)N(C)CC ZINC001731804346 1185496275 /nfs/dbraw/zinc/49/62/75/1185496275.db2.gz JBMQDWZBHRROJS-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(=O)N(C)CC ZINC001731804346 1185496278 /nfs/dbraw/zinc/49/62/78/1185496278.db2.gz JBMQDWZBHRROJS-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)N(C)CC ZINC001731804346 1185496285 /nfs/dbraw/zinc/49/62/85/1185496285.db2.gz JBMQDWZBHRROJS-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)N(C)CC ZINC001731804346 1185496292 /nfs/dbraw/zinc/49/62/92/1185496292.db2.gz JBMQDWZBHRROJS-HNNXBMFYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180027 1186171675 /nfs/dbraw/zinc/17/16/75/1186171675.db2.gz CGISAZTYZRYUDC-SJORKVTESA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001733180027 1186171677 /nfs/dbraw/zinc/17/16/77/1186171677.db2.gz CGISAZTYZRYUDC-SJORKVTESA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001734300300 1186609281 /nfs/dbraw/zinc/60/92/81/1186609281.db2.gz ZHFSBZSJVJTIGC-ZBFHGGJFSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734544265 1186686667 /nfs/dbraw/zinc/68/66/67/1186686667.db2.gz NVTURTNFVQIQON-HOCLYGCPSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734544265 1186686669 /nfs/dbraw/zinc/68/66/69/1186686669.db2.gz NVTURTNFVQIQON-HOCLYGCPSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2csnn2)CC1 ZINC001752920688 1188462440 /nfs/dbraw/zinc/46/24/40/1188462440.db2.gz DYRSYVVPYRDRKT-GFCCVEGCSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001753330884 1188565813 /nfs/dbraw/zinc/56/58/13/1188565813.db2.gz OAFPUVVPNUJZEH-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001753330884 1188565816 /nfs/dbraw/zinc/56/58/16/1188565816.db2.gz OAFPUVVPNUJZEH-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001753416708 1188588229 /nfs/dbraw/zinc/58/82/29/1188588229.db2.gz DRLXWJAYRRHONQ-ZIAGYGMSSA-N 2 2 322.453 0.209 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001754180524 1188773240 /nfs/dbraw/zinc/77/32/40/1188773240.db2.gz DQMBQWHUYZMNID-VQTKUKTRSA-N 2 2 304.394 0.500 20 30 DCEDLP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001754698745 1188908593 /nfs/dbraw/zinc/90/85/93/1188908593.db2.gz RUHPODDEJRBPHN-PBHICJAKSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001755400738 1189101272 /nfs/dbraw/zinc/10/12/72/1189101272.db2.gz ADUSPCNEPYWMSN-SFHVURJKSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001755400738 1189101274 /nfs/dbraw/zinc/10/12/74/1189101274.db2.gz ADUSPCNEPYWMSN-SFHVURJKSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001755400738 1189101276 /nfs/dbraw/zinc/10/12/76/1189101276.db2.gz ADUSPCNEPYWMSN-SFHVURJKSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001755400738 1189101278 /nfs/dbraw/zinc/10/12/78/1189101278.db2.gz ADUSPCNEPYWMSN-SFHVURJKSA-N 2 2 321.465 0.901 20 30 DCEDLP CC#CC[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755629909 1189166564 /nfs/dbraw/zinc/16/65/64/1189166564.db2.gz XQNRAAVVPCYIJU-AWEZNQCLSA-N 2 2 300.362 0.346 20 30 DCEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC001771874180 1190538057 /nfs/dbraw/zinc/53/80/57/1190538057.db2.gz ZWOFWOZAOCWWDE-GWUWNPHMSA-N 2 2 318.421 0.059 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301203 751566595 /nfs/dbraw/zinc/56/65/95/751566595.db2.gz ICFHTIPMFXODQF-RRFJBIMHSA-N 2 2 318.421 0.845 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301203 751566598 /nfs/dbraw/zinc/56/65/98/751566598.db2.gz ICFHTIPMFXODQF-RRFJBIMHSA-N 2 2 318.421 0.845 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)C(C)C)nn2)C1 ZINC001107238820 751969848 /nfs/dbraw/zinc/96/98/48/751969848.db2.gz ROQRTMZASMHVHM-UHFFFAOYSA-N 2 2 320.441 0.667 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)C(C)C)nn2)C1 ZINC001107238820 751969852 /nfs/dbraw/zinc/96/98/52/751969852.db2.gz ROQRTMZASMHVHM-UHFFFAOYSA-N 2 2 320.441 0.667 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046027807 750839265 /nfs/dbraw/zinc/83/92/65/750839265.db2.gz OTFABSUTHFYESW-HNNXBMFYSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC001046027807 750839272 /nfs/dbraw/zinc/83/92/72/750839272.db2.gz OTFABSUTHFYESW-HNNXBMFYSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001106333511 751114477 /nfs/dbraw/zinc/11/44/77/751114477.db2.gz KFPSKXDHEUULRU-RBSFLKMASA-N 2 2 300.406 0.763 20 30 DCEDLP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046925424 751316341 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GSQNUXZQEKMGIZ-ARFHVFGLSA-N 2 2 307.438 0.436 20 30 DCEDLP C[NH+](C)[C@@H](C(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046035591 753439009 /nfs/dbraw/zinc/43/90/09/753439009.db2.gz QCKQBKUJZJBTDJ-JKSUJKDBSA-N 2 2 319.453 0.069 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001047401397 754248278 /nfs/dbraw/zinc/24/82/78/754248278.db2.gz PAILYOKJQDISQZ-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401397 754248281 /nfs/dbraw/zinc/24/82/81/754248281.db2.gz PAILYOKJQDISQZ-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401397 754248284 /nfs/dbraw/zinc/24/82/84/754248284.db2.gz PAILYOKJQDISQZ-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401397 754248288 /nfs/dbraw/zinc/24/82/88/754248288.db2.gz PAILYOKJQDISQZ-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP 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DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001268283118 940017997 /nfs/dbraw/zinc/01/79/97/940017997.db2.gz YHIDOBXCLISHKJ-HOCLYGCPSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001268283118 940018001 /nfs/dbraw/zinc/01/80/01/940018001.db2.gz YHIDOBXCLISHKJ-HOCLYGCPSA-N 2 2 318.421 0.867 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001278426621 945324848 /nfs/dbraw/zinc/32/48/48/945324848.db2.gz IMHBHUHNNPXPOA-YOEHRIQHSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278426621 945324856 /nfs/dbraw/zinc/32/48/56/945324856.db2.gz IMHBHUHNNPXPOA-YOEHRIQHSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001278426621 945324865 /nfs/dbraw/zinc/32/48/65/945324865.db2.gz IMHBHUHNNPXPOA-YOEHRIQHSA-N 2 2 322.453 0.211 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCOCC)CC1 ZINC001270345955 940884988 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C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001496730154 941439040 /nfs/dbraw/zinc/43/90/40/941439040.db2.gz RUSWWFHEGVAULB-CQSZACIVSA-N 2 2 310.442 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001496730154 941439041 /nfs/dbraw/zinc/43/90/41/941439041.db2.gz RUSWWFHEGVAULB-CQSZACIVSA-N 2 2 310.442 0.163 20 30 DCEDLP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483117464 941857354 /nfs/dbraw/zinc/85/73/54/941857354.db2.gz GYTGAZDXWBIRRT-CJNGLKHVSA-N 2 2 316.405 0.483 20 30 DCEDLP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483117464 941857360 /nfs/dbraw/zinc/85/73/60/941857360.db2.gz GYTGAZDXWBIRRT-CJNGLKHVSA-N 2 2 316.405 0.483 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001483422674 942351208 /nfs/dbraw/zinc/35/12/08/942351208.db2.gz XUWNYLKXYSSQNH-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001483422674 942351212 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30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001484354173 943333049 /nfs/dbraw/zinc/33/30/49/943333049.db2.gz WKTGXNJWKGZYDT-HIFRSBDPSA-N 2 2 318.421 0.737 20 30 DCEDLP C#CC[NH2+]C1CCN(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001484422353 943368363 /nfs/dbraw/zinc/36/83/63/943368363.db2.gz YTMWSNUDIYJPEK-HNNXBMFYSA-N 2 2 317.437 0.638 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484848457 943595973 /nfs/dbraw/zinc/59/59/73/943595973.db2.gz LPRHFHBODUQONU-CPUCHLNUSA-N 2 2 316.405 0.100 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126337 943773471 /nfs/dbraw/zinc/77/34/71/943773471.db2.gz NDHVSQURSGPXPD-CQSZACIVSA-N 2 2 306.410 0.983 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126337 943773477 /nfs/dbraw/zinc/77/34/77/943773477.db2.gz NDHVSQURSGPXPD-CQSZACIVSA-N 2 2 306.410 0.983 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001485647039 944062665 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DCEDLP C#CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001317018950 944742225 /nfs/dbraw/zinc/74/22/25/944742225.db2.gz NFYABQLGOAANSJ-HZPDHXFCSA-N 2 2 315.421 0.908 20 30 DCEDLP COCC#CC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001277597388 944898686 /nfs/dbraw/zinc/89/86/86/944898686.db2.gz FIPARQJRXBNKKB-OAHLLOKOSA-N 2 2 306.410 0.653 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317357462 944937947 /nfs/dbraw/zinc/93/79/47/944937947.db2.gz IYUQUOGUYMIVMZ-QWHCGFSZSA-N 2 2 319.409 0.271 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001277716773 944956905 /nfs/dbraw/zinc/95/69/05/944956905.db2.gz DFPZNJGCCMCEPS-INIZCTEOSA-N 2 2 318.421 0.737 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531921 945032301 /nfs/dbraw/zinc/03/23/01/945032301.db2.gz GFEIFHIGIBHHEN-AWEZNQCLSA-N 2 2 304.394 0.051 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317531921 945032312 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DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090615312 947682697 /nfs/dbraw/zinc/68/26/97/947682697.db2.gz GIMCDEOVOXZNKA-GJZGRUSLSA-N 2 2 318.421 0.581 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090615312 947682708 /nfs/dbraw/zinc/68/27/08/947682708.db2.gz GIMCDEOVOXZNKA-GJZGRUSLSA-N 2 2 318.421 0.581 20 30 DCEDLP C=C[C@H](COC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001325635658 947862934 /nfs/dbraw/zinc/86/29/34/947862934.db2.gz WWAHMPVBEUMBPO-CQSZACIVSA-N 2 2 312.458 0.855 20 30 DCEDLP C=C[C@H](COC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001325635658 947862941 /nfs/dbraw/zinc/86/29/41/947862941.db2.gz WWAHMPVBEUMBPO-CQSZACIVSA-N 2 2 312.458 0.855 20 30 DCEDLP C#CCN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826994 948310175 /nfs/dbraw/zinc/31/01/75/948310175.db2.gz KPNJQBAULBFDCB-KRWDZBQOSA-N 2 2 303.406 0.555 20 30 DCEDLP C#CCN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826994 948310184 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C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001264374893 948940702 /nfs/dbraw/zinc/94/07/02/948940702.db2.gz PWRPNONTONPGLK-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001264374893 948940711 /nfs/dbraw/zinc/94/07/11/948940711.db2.gz PWRPNONTONPGLK-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264636601 949049312 /nfs/dbraw/zinc/04/93/12/949049312.db2.gz VYHAWEMARDZMFD-CQSZACIVSA-N 2 2 318.421 0.606 20 30 DCEDLP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264636601 949049331 /nfs/dbraw/zinc/04/93/31/949049331.db2.gz VYHAWEMARDZMFD-CQSZACIVSA-N 2 2 318.421 0.606 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001488748734 949195507 /nfs/dbraw/zinc/19/55/07/949195507.db2.gz VEYIUWKGFCDHPB-KFWWJZLASA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001489016033 949436382 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0.029 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001468118886 1016226273 /nfs/dbraw/zinc/22/62/73/1016226273.db2.gz FIDOSHRGAXWKSB-IYBDPMFKSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001468118886 1016226280 /nfs/dbraw/zinc/22/62/80/1016226280.db2.gz FIDOSHRGAXWKSB-IYBDPMFKSA-N 2 2 305.422 0.311 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001507664075 1016510625 /nfs/dbraw/zinc/51/06/25/1016510625.db2.gz MXYXMRRYJLKKAA-CYBMUJFWSA-N 2 2 302.378 0.885 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001507664075 1016510640 /nfs/dbraw/zinc/51/06/40/1016510640.db2.gz MXYXMRRYJLKKAA-CYBMUJFWSA-N 2 2 302.378 0.885 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001506657398 1017443699 /nfs/dbraw/zinc/44/36/99/1017443699.db2.gz FNJOTJXGRLDGDF-HNNXBMFYSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001506943056 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306.435 0.835 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccs1 ZINC001480479438 1018578835 /nfs/dbraw/zinc/57/88/35/1018578835.db2.gz ICPXYWPVMCXISM-STQMWFEESA-N 2 2 306.435 0.835 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001480651316 1018743888 /nfs/dbraw/zinc/74/38/88/1018743888.db2.gz JNNHLMAECLUHSU-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001501070473 1018856861 /nfs/dbraw/zinc/85/68/61/1018856861.db2.gz GJXUPOAOPQBWHR-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001493603358 1019556434 /nfs/dbraw/zinc/55/64/34/1019556434.db2.gz NGYQDLJSIOACGL-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP CC[C@@H](C(=O)N(C)CC[NH+]1CCN(CC#N)CC1)[NH+](CC)CC ZINC001494102999 1019984694 /nfs/dbraw/zinc/98/46/94/1019984694.db2.gz QNYZZMWRWNWIFT-INIZCTEOSA-N 2 2 323.485 0.706 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 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30 DCEDLP C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000329280728 416162251 /nfs/dbraw/zinc/16/22/51/416162251.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 2 309.458 0.386 20 30 DCEDLP C[C@H](NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000329280728 416162254 /nfs/dbraw/zinc/16/22/54/416162254.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 2 309.458 0.386 20 30 DCEDLP C[C@H](NC(=O)NC[C@@H]1CN(C)CC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000329280728 416162255 /nfs/dbraw/zinc/16/22/55/416162255.db2.gz DRIMCZXOBJXKMS-DZGCQCFKSA-N 2 2 309.458 0.386 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)CC1 ZINC000491645719 416610415 /nfs/dbraw/zinc/61/04/15/416610415.db2.gz QFUCRBYRMUDFHS-RHSMWYFYSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)CC1 ZINC000490759772 416574930 /nfs/dbraw/zinc/57/49/30/416574930.db2.gz GJXGZRFZVMLEDO-MRXNPFEDSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000490759772 416574933 /nfs/dbraw/zinc/57/49/33/416574933.db2.gz GJXGZRFZVMLEDO-MRXNPFEDSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000490759772 416574937 /nfs/dbraw/zinc/57/49/37/416574937.db2.gz GJXGZRFZVMLEDO-MRXNPFEDSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)CC1 ZINC000490759772 416574941 /nfs/dbraw/zinc/57/49/41/416574941.db2.gz GJXGZRFZVMLEDO-MRXNPFEDSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CCOC)c2ccco2)CC1 ZINC000490937601 416580676 /nfs/dbraw/zinc/58/06/76/416580676.db2.gz VETDAVGSPQRCFU-OAHLLOKOSA-N 2 2 319.405 0.724 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000491126080 416587818 /nfs/dbraw/zinc/58/78/18/416587818.db2.gz KLEGFIJVDTXWOR-CYBMUJFWSA-N 2 2 315.364 0.325 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000491126080 416587820 /nfs/dbraw/zinc/58/78/20/416587820.db2.gz KLEGFIJVDTXWOR-CYBMUJFWSA-N 2 2 315.364 0.325 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000366517079 416631460 /nfs/dbraw/zinc/63/14/60/416631460.db2.gz TZWFROLBEOFAKC-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000366517079 416631462 /nfs/dbraw/zinc/63/14/62/416631462.db2.gz TZWFROLBEOFAKC-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1(C#N)CC[NH+](C)CC1)CC2 ZINC000563243443 416875775 /nfs/dbraw/zinc/87/57/75/416875775.db2.gz FNDJDQSQHADCHN-ZDUSSCGKSA-N 2 2 301.394 0.858 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC000615539476 416856136 /nfs/dbraw/zinc/85/61/36/416856136.db2.gz IFQJWVOUXMQUNR-CJNGLKHVSA-N 2 2 323.416 0.802 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC000615539476 416856143 /nfs/dbraw/zinc/85/61/43/416856143.db2.gz IFQJWVOUXMQUNR-CJNGLKHVSA-N 2 2 323.416 0.802 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1C#N ZINC000577167208 417667595 /nfs/dbraw/zinc/66/75/95/417667595.db2.gz GHGAEIWBOVAISD-CQSZACIVSA-N 2 2 316.409 0.999 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1C#N ZINC000577167208 417667598 /nfs/dbraw/zinc/66/75/98/417667598.db2.gz GHGAEIWBOVAISD-CQSZACIVSA-N 2 2 316.409 0.999 20 30 DCEDLP C=CCn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648782659 418156689 /nfs/dbraw/zinc/15/66/89/418156689.db2.gz WWMRSGPCSBFYKV-UHFFFAOYSA-N 2 2 320.441 0.562 20 30 DCEDLP C=CCn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000648782659 418156691 /nfs/dbraw/zinc/15/66/91/418156691.db2.gz WWMRSGPCSBFYKV-UHFFFAOYSA-N 2 2 320.441 0.562 20 30 DCEDLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330220186 336125780 /nfs/dbraw/zinc/12/57/80/336125780.db2.gz PZWRREQROTUNJE-MGPQQGTHSA-N 2 2 321.425 0.499 20 30 DCEDLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330220186 336125782 /nfs/dbraw/zinc/12/57/82/336125782.db2.gz PZWRREQROTUNJE-MGPQQGTHSA-N 2 2 321.425 0.499 20 30 DCEDLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330220186 336125783 /nfs/dbraw/zinc/12/57/83/336125783.db2.gz PZWRREQROTUNJE-MGPQQGTHSA-N 2 2 321.425 0.499 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583760828 337330802 /nfs/dbraw/zinc/33/08/02/337330802.db2.gz SJEIYZZOIJUOEO-BBRMVZONSA-N 2 2 318.425 0.975 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000490761977 339839742 /nfs/dbraw/zinc/83/97/42/339839742.db2.gz YOMPLMJOCLHERJ-KRWDZBQOSA-N 2 2 318.465 0.324 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)CC1 ZINC000490972640 339845040 /nfs/dbraw/zinc/84/50/40/339845040.db2.gz GZMBFZPLZLECIM-UHFFFAOYSA-N 2 2 314.433 0.992 20 30 DCEDLP C[C@H]1C[NH+]=C(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)N1 ZINC000262669563 533989773 /nfs/dbraw/zinc/98/97/73/533989773.db2.gz QJQXYBCEKYSWCX-ZDUSSCGKSA-N 2 2 305.401 0.885 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1cnn(C)c1 ZINC000262753111 526359030 /nfs/dbraw/zinc/35/90/30/526359030.db2.gz AHABYCRJPNXWRV-UHFFFAOYSA-N 2 2 310.471 0.476 20 30 DCEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000329176848 546044374 /nfs/dbraw/zinc/04/43/74/546044374.db2.gz LWYSLSDYQHQGHQ-CYBMUJFWSA-N 2 2 309.414 0.781 20 30 DCEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000329176848 546044378 /nfs/dbraw/zinc/04/43/78/546044378.db2.gz LWYSLSDYQHQGHQ-CYBMUJFWSA-N 2 2 309.414 0.781 20 30 DCEDLP CC(C)(CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329300137 546046643 /nfs/dbraw/zinc/04/66/43/546046643.db2.gz MINWREDRSCTIPT-ZDUSSCGKSA-N 2 2 310.442 0.838 20 30 DCEDLP CC(C)(CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329300137 546046645 /nfs/dbraw/zinc/04/66/45/546046645.db2.gz MINWREDRSCTIPT-ZDUSSCGKSA-N 2 2 310.442 0.838 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001672124797 1175081301 /nfs/dbraw/zinc/08/13/01/1175081301.db2.gz AWWOVQNWPLXUPC-OAHLLOKOSA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978368383 660527911 /nfs/dbraw/zinc/52/79/11/660527911.db2.gz HJXHEVMZMXKOHB-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978368383 660527912 /nfs/dbraw/zinc/52/79/12/660527912.db2.gz HJXHEVMZMXKOHB-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012051 658354366 /nfs/dbraw/zinc/35/43/66/658354366.db2.gz JEHMCDUPWARTQO-GFCCVEGCSA-N 2 2 304.394 0.810 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389770 658705502 /nfs/dbraw/zinc/70/55/02/658705502.db2.gz XAFZQGUFVFYFQS-NUJGCVRESA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389770 658705507 /nfs/dbraw/zinc/70/55/07/658705507.db2.gz XAFZQGUFVFYFQS-NUJGCVRESA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389770 658705514 /nfs/dbraw/zinc/70/55/14/658705514.db2.gz XAFZQGUFVFYFQS-NUJGCVRESA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389770 658705518 /nfs/dbraw/zinc/70/55/18/658705518.db2.gz XAFZQGUFVFYFQS-NUJGCVRESA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970324993 658862859 /nfs/dbraw/zinc/86/28/59/658862859.db2.gz BSTHETBBVMRLNL-GOEBONIOSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970324993 658862865 /nfs/dbraw/zinc/86/28/65/658862865.db2.gz BSTHETBBVMRLNL-GOEBONIOSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338696 658870296 /nfs/dbraw/zinc/87/02/96/658870296.db2.gz OKDAMZNGCNKLIS-OCCSQVGLSA-N 2 2 300.406 0.824 20 30 DCEDLP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000109019 665742085 /nfs/dbraw/zinc/74/20/85/665742085.db2.gz OIDROMRJMKYYMC-MRXNPFEDSA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000109019 665742087 /nfs/dbraw/zinc/74/20/87/665742087.db2.gz OIDROMRJMKYYMC-MRXNPFEDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000115493 665745818 /nfs/dbraw/zinc/74/58/18/665745818.db2.gz CPGSZXHEIVCXTB-HNNXBMFYSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641164 661713703 /nfs/dbraw/zinc/71/37/03/661713703.db2.gz CBZIINWWLFGJRZ-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641164 661713705 /nfs/dbraw/zinc/71/37/05/661713705.db2.gz CBZIINWWLFGJRZ-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641343 661713818 /nfs/dbraw/zinc/71/38/18/661713818.db2.gz DWUDHPLNYQLXTD-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641343 661713820 /nfs/dbraw/zinc/71/38/20/661713820.db2.gz DWUDHPLNYQLXTD-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940811781 665856459 /nfs/dbraw/zinc/85/64/59/665856459.db2.gz TYYNFBURVDPUIQ-GJZGRUSLSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000940811781 665856462 /nfs/dbraw/zinc/85/64/62/665856462.db2.gz TYYNFBURVDPUIQ-GJZGRUSLSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000940811781 665856465 /nfs/dbraw/zinc/85/64/65/665856465.db2.gz TYYNFBURVDPUIQ-GJZGRUSLSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000940811781 665856469 /nfs/dbraw/zinc/85/64/69/665856469.db2.gz TYYNFBURVDPUIQ-GJZGRUSLSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001001013408 665975233 /nfs/dbraw/zinc/97/52/33/665975233.db2.gz DNYVOFPFIIPYFV-JKSUJKDBSA-N 2 2 300.406 0.898 20 30 DCEDLP C#CC[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000905656020 663571069 /nfs/dbraw/zinc/57/10/69/663571069.db2.gz BKSZIMIUUNKFHX-UHFFFAOYSA-N 2 2 324.494 0.270 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001030024708 664178773 /nfs/dbraw/zinc/17/87/73/664178773.db2.gz KTWYCKRCGYXTDB-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001030024708 664178774 /nfs/dbraw/zinc/17/87/74/664178774.db2.gz KTWYCKRCGYXTDB-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H]2CCOC2)C1 ZINC001030024708 664178775 /nfs/dbraw/zinc/17/87/75/664178775.db2.gz KTWYCKRCGYXTDB-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H]2CCOC2)C1 ZINC001030024708 664178776 /nfs/dbraw/zinc/17/87/76/664178776.db2.gz KTWYCKRCGYXTDB-BBWFWOEESA-N 2 2 319.449 0.701 20 30 DCEDLP CCC(CC)[C@H](C(=O)NCC#CC[NH+](C)C)[NH+]1CCOCC1 ZINC000913518910 664337378 /nfs/dbraw/zinc/33/73/78/664337378.db2.gz GBJWELPFNKGJMW-MRXNPFEDSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000915827570 664952277 /nfs/dbraw/zinc/95/22/77/664952277.db2.gz JPQIQTHNBUUBCX-HNNXBMFYSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000915827570 664952279 /nfs/dbraw/zinc/95/22/79/664952279.db2.gz JPQIQTHNBUUBCX-HNNXBMFYSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001031435051 665149837 /nfs/dbraw/zinc/14/98/37/665149837.db2.gz OJIYCRSJFGOZFW-YOEHRIQHSA-N 2 2 319.449 0.700 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566566 666023756 /nfs/dbraw/zinc/02/37/56/666023756.db2.gz HOPGVYMLTSBKBT-INIZCTEOSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566566 666023758 /nfs/dbraw/zinc/02/37/58/666023758.db2.gz HOPGVYMLTSBKBT-INIZCTEOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942207119 666127935 /nfs/dbraw/zinc/12/79/35/666127935.db2.gz JNWCMLHHCIIYPH-TZMCWYRMSA-N 2 2 304.394 0.810 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942207119 666127936 /nfs/dbraw/zinc/12/79/36/666127936.db2.gz JNWCMLHHCIIYPH-TZMCWYRMSA-N 2 2 304.394 0.810 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033096558 666503358 /nfs/dbraw/zinc/50/33/58/666503358.db2.gz MXUOQTZGHWCQEC-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033096558 666503359 /nfs/dbraw/zinc/50/33/59/666503359.db2.gz MXUOQTZGHWCQEC-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033096558 666503361 /nfs/dbraw/zinc/50/33/61/666503361.db2.gz MXUOQTZGHWCQEC-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[C@@H](CCOC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000862547290 667047480 /nfs/dbraw/zinc/04/74/80/667047480.db2.gz ABONVPQZHDENFD-KRWDZBQOSA-N 2 2 323.481 0.801 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC(=C)C)CCO1 ZINC001035400172 667324741 /nfs/dbraw/zinc/32/47/41/667324741.db2.gz LOPMXAARNIZHLA-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC(=C)C)CCO1 ZINC001035400172 667324743 /nfs/dbraw/zinc/32/47/43/667324743.db2.gz LOPMXAARNIZHLA-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC(=C)C)CCO1 ZINC001035400172 667324744 /nfs/dbraw/zinc/32/47/44/667324744.db2.gz LOPMXAARNIZHLA-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC(=C)C)CCO1 ZINC001035400172 667324747 /nfs/dbraw/zinc/32/47/47/667324747.db2.gz LOPMXAARNIZHLA-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC001035401281 667325400 /nfs/dbraw/zinc/32/54/00/667325400.db2.gz YCTBUFAEVFCEEQ-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC001035401281 667325403 /nfs/dbraw/zinc/32/54/03/667325403.db2.gz YCTBUFAEVFCEEQ-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC2)CCO1 ZINC001035401281 667325406 /nfs/dbraw/zinc/32/54/06/667325406.db2.gz YCTBUFAEVFCEEQ-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC2)CCO1 ZINC001035401281 667325409 /nfs/dbraw/zinc/32/54/09/667325409.db2.gz YCTBUFAEVFCEEQ-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001035539259 667366448 /nfs/dbraw/zinc/36/64/48/667366448.db2.gz FRJGMCMOVHLPCZ-HNNXBMFYSA-N 2 2 321.425 0.061 20 30 DCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001035539259 667366449 /nfs/dbraw/zinc/36/64/49/667366449.db2.gz FRJGMCMOVHLPCZ-HNNXBMFYSA-N 2 2 321.425 0.061 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035855526 667414755 /nfs/dbraw/zinc/41/47/55/667414755.db2.gz OIMJQHZDWSRPLZ-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035855526 667414756 /nfs/dbraw/zinc/41/47/56/667414756.db2.gz OIMJQHZDWSRPLZ-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP CC(C)(CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCOCC1 ZINC000884177454 667491224 /nfs/dbraw/zinc/49/12/24/667491224.db2.gz KACOVFBRQXPBQW-UUCFBXCCSA-N 2 2 320.437 0.353 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCCCCC1 ZINC000884178116 667491361 /nfs/dbraw/zinc/49/13/61/667491361.db2.gz CWEWILUVABVHQG-AWEZNQCLSA-N 2 2 311.426 0.815 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000884196806 667495371 /nfs/dbraw/zinc/49/53/71/667495371.db2.gz BZEAVNAQUPVKKA-CQSZACIVSA-N 2 2 310.467 0.432 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000884196806 667495376 /nfs/dbraw/zinc/49/53/76/667495376.db2.gz BZEAVNAQUPVKKA-CQSZACIVSA-N 2 2 310.467 0.432 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000884197615 667495392 /nfs/dbraw/zinc/49/53/92/667495392.db2.gz YSWZWAIPAOVGQS-KGLIPLIRSA-N 2 2 311.426 0.671 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000884203340 667496884 /nfs/dbraw/zinc/49/68/84/667496884.db2.gz UPEUSGUWHOHLEW-KBPBESRZSA-N 2 2 309.410 0.520 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000884203861 667497834 /nfs/dbraw/zinc/49/78/34/667497834.db2.gz HDTBXGDFCPODKZ-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000884203861 667497837 /nfs/dbraw/zinc/49/78/37/667497837.db2.gz HDTBXGDFCPODKZ-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000884203861 667497838 /nfs/dbraw/zinc/49/78/38/667497838.db2.gz HDTBXGDFCPODKZ-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000884203861 667497840 /nfs/dbraw/zinc/49/78/40/667497840.db2.gz HDTBXGDFCPODKZ-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000884219071 667502841 /nfs/dbraw/zinc/50/28/41/667502841.db2.gz HEVKGHBNADQRGD-AWEZNQCLSA-N 2 2 311.426 0.671 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000884226635 667504068 /nfs/dbraw/zinc/50/40/68/667504068.db2.gz XQMYDFRTFWNBFX-MCIONIFRSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000884226635 667504072 /nfs/dbraw/zinc/50/40/72/667504072.db2.gz XQMYDFRTFWNBFX-MCIONIFRSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000884226106 667504340 /nfs/dbraw/zinc/50/43/40/667504340.db2.gz KVYVRMZZSLKQEO-KBPBESRZSA-N 2 2 309.410 0.377 20 30 DCEDLP CN(CCCn1cc[nH+]c1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884323172 667524002 /nfs/dbraw/zinc/52/40/02/667524002.db2.gz HGGCINWZVAVACY-BBBYJDLNSA-N 2 2 301.394 0.871 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000884370529 667532892 /nfs/dbraw/zinc/53/28/92/667532892.db2.gz MNEIJDAIASBZPP-STQMWFEESA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747432955 667902785 /nfs/dbraw/zinc/90/27/85/667902785.db2.gz VQIZTUDZYOPFJP-INIZCTEOSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000747432955 667902786 /nfs/dbraw/zinc/90/27/86/667902786.db2.gz VQIZTUDZYOPFJP-INIZCTEOSA-N 2 2 305.422 0.407 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000876903132 668532366 /nfs/dbraw/zinc/53/23/66/668532366.db2.gz LICIPXWDJVIOMI-NWDGAFQWSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000876903132 668532370 /nfs/dbraw/zinc/53/23/70/668532370.db2.gz LICIPXWDJVIOMI-NWDGAFQWSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000876952184 668541939 /nfs/dbraw/zinc/54/19/39/668541939.db2.gz YKFSGQYYTIZURY-CYBMUJFWSA-N 2 2 319.833 0.264 20 30 DCEDLP C#C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCO1 ZINC000775346546 668861441 /nfs/dbraw/zinc/86/14/41/668861441.db2.gz UVGQXEFWWYBSNK-JKSUJKDBSA-N 2 2 315.421 0.499 20 30 DCEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCCCO ZINC000127404099 668950881 /nfs/dbraw/zinc/95/08/81/668950881.db2.gz LQFNOIQMIYNQHU-UHFFFAOYSA-N 2 2 320.437 0.866 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949320919 670312523 /nfs/dbraw/zinc/31/25/23/670312523.db2.gz WPPXBAXMLUFPMK-HNNXBMFYSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000949320919 670312508 /nfs/dbraw/zinc/31/25/08/670312508.db2.gz WPPXBAXMLUFPMK-HNNXBMFYSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949320919 670312514 /nfs/dbraw/zinc/31/25/14/670312514.db2.gz WPPXBAXMLUFPMK-HNNXBMFYSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949320919 670312518 /nfs/dbraw/zinc/31/25/18/670312518.db2.gz WPPXBAXMLUFPMK-HNNXBMFYSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949526268 670361919 /nfs/dbraw/zinc/36/19/19/670361919.db2.gz LTSJSQKHASFHDG-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526268 670361922 /nfs/dbraw/zinc/36/19/22/670361922.db2.gz LTSJSQKHASFHDG-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526268 670361926 /nfs/dbraw/zinc/36/19/26/670361926.db2.gz LTSJSQKHASFHDG-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 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ZINC001100035122 763238911 /nfs/dbraw/zinc/23/89/11/763238911.db2.gz XVYUCPPCFJRFRC-CABCVRRESA-N 2 2 304.394 0.156 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100035122 763238921 /nfs/dbraw/zinc/23/89/21/763238921.db2.gz XVYUCPPCFJRFRC-CABCVRRESA-N 2 2 304.394 0.156 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138441 763343585 /nfs/dbraw/zinc/34/35/85/763343585.db2.gz IMXBWZZOHDNIQZ-CABCVRRESA-N 2 2 304.394 0.238 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138441 763343591 /nfs/dbraw/zinc/34/35/91/763343591.db2.gz IMXBWZZOHDNIQZ-CABCVRRESA-N 2 2 304.394 0.238 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)c1nccn12 ZINC001101645136 764217510 /nfs/dbraw/zinc/21/75/10/764217510.db2.gz YDCJBPRSVGYYQS-KGLIPLIRSA-N 2 2 317.437 0.981 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079652 764233642 /nfs/dbraw/zinc/23/36/42/764233642.db2.gz GQQRRHJLURLIJH-UHFFFAOYSA-N 2 2 321.425 0.404 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242500 768249903 /nfs/dbraw/zinc/24/99/03/768249903.db2.gz NCYBVUVGLPNKRQ-PBHICJAKSA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092242500 768249908 /nfs/dbraw/zinc/24/99/08/768249908.db2.gz NCYBVUVGLPNKRQ-PBHICJAKSA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090618037 766383218 /nfs/dbraw/zinc/38/32/18/766383218.db2.gz ZMWCRVLHPCRFLZ-UONOGXRCSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090618037 766383229 /nfs/dbraw/zinc/38/32/29/766383229.db2.gz ZMWCRVLHPCRFLZ-UONOGXRCSA-N 2 2 304.394 0.191 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730291 766526818 /nfs/dbraw/zinc/52/68/18/766526818.db2.gz JKQRMIBJBTXGKW-QWHCGFSZSA-N 2 2 313.829 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730291 766526825 /nfs/dbraw/zinc/52/68/25/766526825.db2.gz JKQRMIBJBTXGKW-QWHCGFSZSA-N 2 2 313.829 0.386 20 30 DCEDLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001125219723 768376168 /nfs/dbraw/zinc/37/61/68/768376168.db2.gz AAERUBQVVILQGY-HNNXBMFYSA-N 2 2 302.378 0.095 20 30 DCEDLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001125219723 768376175 /nfs/dbraw/zinc/37/61/75/768376175.db2.gz AAERUBQVVILQGY-HNNXBMFYSA-N 2 2 302.378 0.095 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150663065 769154157 /nfs/dbraw/zinc/15/41/57/769154157.db2.gz GITVIBUYUYRPEH-MRXNPFEDSA-N 2 2 318.421 0.583 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150663065 769154165 /nfs/dbraw/zinc/15/41/65/769154165.db2.gz GITVIBUYUYRPEH-MRXNPFEDSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2=O)C1 ZINC001094749715 769249809 /nfs/dbraw/zinc/24/98/09/769249809.db2.gz FOPIPUDTIWAVCS-DZGCQCFKSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2=O)C1 ZINC001094749715 769249812 /nfs/dbraw/zinc/24/98/12/769249812.db2.gz FOPIPUDTIWAVCS-DZGCQCFKSA-N 2 2 320.437 0.058 20 30 DCEDLP N#Cc1cccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001239287261 770206572 /nfs/dbraw/zinc/20/65/72/770206572.db2.gz WPYQEBNCDWMYSI-UHFFFAOYSA-N 2 2 316.409 0.175 20 30 DCEDLP C#CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157336 770363353 /nfs/dbraw/zinc/36/33/53/770363353.db2.gz QXIIAOZMVOFCMG-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157336 770363368 /nfs/dbraw/zinc/36/33/68/770363368.db2.gz QXIIAOZMVOFCMG-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157336 770363379 /nfs/dbraw/zinc/36/33/79/770363379.db2.gz QXIIAOZMVOFCMG-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157336 770363392 /nfs/dbraw/zinc/36/33/92/770363392.db2.gz QXIIAOZMVOFCMG-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383492 770802898 /nfs/dbraw/zinc/80/28/98/770802898.db2.gz MLHZNEWWULAXJE-CQSZACIVSA-N 2 2 308.426 0.992 20 30 DCEDLP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383492 770802910 /nfs/dbraw/zinc/80/29/10/770802910.db2.gz MLHZNEWWULAXJE-CQSZACIVSA-N 2 2 308.426 0.992 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179258936 770976721 /nfs/dbraw/zinc/97/67/21/770976721.db2.gz YBEJFPRFDGPWNT-KBPBESRZSA-N 2 2 319.409 0.154 20 30 DCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2cc(C#N)ccc2C1 ZINC001157937393 771697143 /nfs/dbraw/zinc/69/71/43/771697143.db2.gz UEJLMMHAIWPCOH-INIZCTEOSA-N 2 2 309.373 0.746 20 30 DCEDLP COc1cc(C#N)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158260001 771748944 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0.466 20 30 DCEDLP CSc1ncc(C#N)c(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164207349 772625608 /nfs/dbraw/zinc/62/56/08/772625608.db2.gz WFWARMMFIBIRJF-UHFFFAOYSA-N 2 2 320.466 0.930 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001205555692 773000517 /nfs/dbraw/zinc/00/05/17/773000517.db2.gz DISQBAHZZRRVQY-OAHLLOKOSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193095774 773012550 /nfs/dbraw/zinc/01/25/50/773012550.db2.gz SYVJQFNNIRBXFF-BFHYXJOUSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193095774 773012556 /nfs/dbraw/zinc/01/25/56/773012556.db2.gz SYVJQFNNIRBXFF-BFHYXJOUSA-N 2 2 304.394 0.191 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695677 773105217 /nfs/dbraw/zinc/10/52/17/773105217.db2.gz KULVPCWCYOPOQI-CQSZACIVSA-N 2 2 304.394 0.443 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695677 773105219 /nfs/dbraw/zinc/10/52/19/773105219.db2.gz KULVPCWCYOPOQI-CQSZACIVSA-N 2 2 304.394 0.443 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461573 773190051 /nfs/dbraw/zinc/19/00/51/773190051.db2.gz ZDGHYAZRINSJBN-KGLIPLIRSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461573 773190052 /nfs/dbraw/zinc/19/00/52/773190052.db2.gz ZDGHYAZRINSJBN-KGLIPLIRSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461575 773190283 /nfs/dbraw/zinc/19/02/83/773190283.db2.gz ZDGHYAZRINSJBN-ZIAGYGMSSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461575 773190287 /nfs/dbraw/zinc/19/02/87/773190287.db2.gz ZDGHYAZRINSJBN-ZIAGYGMSSA-N 2 2 319.409 0.107 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498579 773611162 /nfs/dbraw/zinc/61/11/62/773611162.db2.gz DLJLOVOEQQQMRM-RBSFLKMASA-N 2 2 306.410 0.962 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498579 773611165 /nfs/dbraw/zinc/61/11/65/773611165.db2.gz DLJLOVOEQQQMRM-RBSFLKMASA-N 2 2 306.410 0.962 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001197722797 773792935 /nfs/dbraw/zinc/79/29/35/773792935.db2.gz AEIOZNACEPKHGA-BRWVUGGUSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197722797 773792939 /nfs/dbraw/zinc/79/29/39/773792939.db2.gz AEIOZNACEPKHGA-BRWVUGGUSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197722797 773792941 /nfs/dbraw/zinc/79/29/41/773792941.db2.gz AEIOZNACEPKHGA-BRWVUGGUSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001197722797 773792946 /nfs/dbraw/zinc/79/29/46/773792946.db2.gz AEIOZNACEPKHGA-BRWVUGGUSA-N 2 2 315.417 0.474 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213925730 773902166 /nfs/dbraw/zinc/90/21/66/773902166.db2.gz NRUFCWWOQYMJPX-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213925730 773902171 /nfs/dbraw/zinc/90/21/71/773902171.db2.gz NRUFCWWOQYMJPX-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215007930 774033000 /nfs/dbraw/zinc/03/30/00/774033000.db2.gz AZSBEEJSSWDSPQ-IJEWVQPXSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001201855124 774557639 /nfs/dbraw/zinc/55/76/39/774557639.db2.gz ASXUMXRXLWLRKH-CQSZACIVSA-N 2 2 318.421 0.918 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857181 774558880 /nfs/dbraw/zinc/55/88/80/774558880.db2.gz UFZMYPPTDKYIGB-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219663110 774574411 /nfs/dbraw/zinc/57/44/11/774574411.db2.gz SYVJQFNNIRBXFF-MJBXVCDLSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219663110 774574415 /nfs/dbraw/zinc/57/44/15/774574415.db2.gz SYVJQFNNIRBXFF-MJBXVCDLSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC)C[C@@H]1O ZINC001219821420 774620048 /nfs/dbraw/zinc/62/00/48/774620048.db2.gz LRLXBAKSZPDSQT-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@@H]1O ZINC001219821420 774620055 /nfs/dbraw/zinc/62/00/55/774620055.db2.gz LRLXBAKSZPDSQT-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@@H]1O ZINC001219821420 774620058 /nfs/dbraw/zinc/62/00/58/774620058.db2.gz LRLXBAKSZPDSQT-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@@H]1O 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PTMACWXKQUPJGX-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001485394230 943907612 /nfs/dbraw/zinc/90/76/12/943907612.db2.gz GDXIDYLDEONADH-HNNXBMFYSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001485394230 943907616 /nfs/dbraw/zinc/90/76/16/943907616.db2.gz GDXIDYLDEONADH-HNNXBMFYSA-N 2 2 306.410 0.750 20 30 DCEDLP CC#CC[NH2+]CCCOC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001485444683 943944864 /nfs/dbraw/zinc/94/48/64/943944864.db2.gz SVCDEWFBPKZVMN-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001485532708 943991467 /nfs/dbraw/zinc/99/14/67/943991467.db2.gz IWWRCTXAYBQMAE-XJKSGUPXSA-N 2 2 324.469 0.311 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001276549254 944206640 /nfs/dbraw/zinc/20/66/40/944206640.db2.gz RJPLRKZIKOWLFO-QGZVFWFLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001276549254 944206646 /nfs/dbraw/zinc/20/66/46/944206646.db2.gz RJPLRKZIKOWLFO-QGZVFWFLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001276819008 944313759 /nfs/dbraw/zinc/31/37/59/944313759.db2.gz CBMUKINLUFALSE-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485923987 944407318 /nfs/dbraw/zinc/40/73/18/944407318.db2.gz QIDPQZADVTVDGI-RBSFLKMASA-N 2 2 318.421 0.610 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001276928677 944596103 /nfs/dbraw/zinc/59/61/03/944596103.db2.gz WGISEBGBRSESCM-HNNXBMFYSA-N 2 2 316.405 0.504 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001317115959 944804573 /nfs/dbraw/zinc/80/45/73/944804573.db2.gz FMTDAMIYPXHTBE-UXLLHSPISA-N 2 2 319.449 0.890 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001317115959 944804586 /nfs/dbraw/zinc/80/45/86/944804586.db2.gz FMTDAMIYPXHTBE-UXLLHSPISA-N 2 2 319.449 0.890 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001277428745 944814687 /nfs/dbraw/zinc/81/46/87/944814687.db2.gz DAXANWSWJRJTEE-UHFFFAOYSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001277428745 944814694 /nfs/dbraw/zinc/81/46/94/944814694.db2.gz DAXANWSWJRJTEE-UHFFFAOYSA-N 2 2 319.409 0.177 20 30 DCEDLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cnn2ccc(C#N)cc12 ZINC001249114365 945618455 /nfs/dbraw/zinc/61/84/55/945618455.db2.gz ZWQVYHNVDVEOLP-UHFFFAOYSA-N 2 2 312.421 0.885 20 30 DCEDLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cnn2ccc(C#N)cc12 ZINC001249114365 945618460 /nfs/dbraw/zinc/61/84/60/945618460.db2.gz ZWQVYHNVDVEOLP-UHFFFAOYSA-N 2 2 312.421 0.885 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001319711347 945650637 /nfs/dbraw/zinc/65/06/37/945650637.db2.gz OMYRIEWXNJVUCD-HUUCEWRRSA-N 2 2 304.394 0.360 20 30 DCEDLP C#CCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251839791 945790581 /nfs/dbraw/zinc/79/05/81/945790581.db2.gz KCFDONYDCFLHLF-JZXOWHBKSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251839791 945790589 /nfs/dbraw/zinc/79/05/89/945790589.db2.gz KCFDONYDCFLHLF-JZXOWHBKSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001251839791 945790598 /nfs/dbraw/zinc/79/05/98/945790598.db2.gz KCFDONYDCFLHLF-JZXOWHBKSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001251839791 945790607 /nfs/dbraw/zinc/79/06/07/945790607.db2.gz KCFDONYDCFLHLF-JZXOWHBKSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001251896713 945812721 /nfs/dbraw/zinc/81/27/21/945812721.db2.gz MAIBEYLXEKSTBQ-SFHVURJKSA-N 2 2 318.417 0.957 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001320651867 945963983 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0.220 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325235728 947719825 /nfs/dbraw/zinc/71/98/25/947719825.db2.gz AJMOQZQPADWDBP-HNNXBMFYSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325235728 947719833 /nfs/dbraw/zinc/71/98/33/947719833.db2.gz AJMOQZQPADWDBP-HNNXBMFYSA-N 2 2 307.438 0.293 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327163019 948410122 /nfs/dbraw/zinc/41/01/22/948410122.db2.gz MIXQYJRDKYQLID-OAHLLOKOSA-N 2 2 318.421 0.881 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001327163019 948410126 /nfs/dbraw/zinc/41/01/26/948410126.db2.gz MIXQYJRDKYQLID-OAHLLOKOSA-N 2 2 318.421 0.881 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001488636712 948990582 /nfs/dbraw/zinc/99/05/82/948990582.db2.gz AMRVLBNXOPVYAH-INIZCTEOSA-N 2 2 321.465 0.901 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001488636712 948990595 /nfs/dbraw/zinc/99/05/95/948990595.db2.gz AMRVLBNXOPVYAH-INIZCTEOSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001328879434 949164082 /nfs/dbraw/zinc/16/40/82/949164082.db2.gz GFKNPHAAVNPBJO-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001489173204 949534646 /nfs/dbraw/zinc/53/46/46/949534646.db2.gz JJMIQNJULSKQCE-AWEZNQCLSA-N 2 2 306.410 0.434 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266071697 950329216 /nfs/dbraw/zinc/32/92/16/950329216.db2.gz PUCIYFAFUARCRL-ZIAGYGMSSA-N 2 2 304.394 0.619 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnon1 ZINC001330836104 950698279 /nfs/dbraw/zinc/69/82/79/950698279.db2.gz MYICFGSANLQLIL-HIFRSBDPSA-N 2 2 319.409 0.542 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cnon1 ZINC001330836104 950698289 /nfs/dbraw/zinc/69/82/89/950698289.db2.gz MYICFGSANLQLIL-HIFRSBDPSA-N 2 2 319.409 0.542 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001331133089 950940306 /nfs/dbraw/zinc/94/03/06/950940306.db2.gz OLYQFZZDWYEMQI-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001331133089 950940319 /nfs/dbraw/zinc/94/03/19/950940319.db2.gz OLYQFZZDWYEMQI-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001281409560 951491674 /nfs/dbraw/zinc/49/16/74/951491674.db2.gz UBNYIRSHRRPCRO-HIFRSBDPSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001281409560 951491679 /nfs/dbraw/zinc/49/16/79/951491679.db2.gz UBNYIRSHRRPCRO-HIFRSBDPSA-N 2 2 306.410 0.981 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001332528606 951681421 /nfs/dbraw/zinc/68/14/21/951681421.db2.gz JBXMSVNQGIAZSC-HOCLYGCPSA-N 2 2 320.437 0.821 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001332647292 951740491 /nfs/dbraw/zinc/74/04/91/951740491.db2.gz JFNGJXSGLJMUKD-AWEZNQCLSA-N 2 2 306.410 0.127 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001332647292 951740499 /nfs/dbraw/zinc/74/04/99/951740499.db2.gz JFNGJXSGLJMUKD-AWEZNQCLSA-N 2 2 306.410 0.127 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001276010724 952620111 /nfs/dbraw/zinc/62/01/11/952620111.db2.gz JKLVZTCUQIYLHM-ZIAGYGMSSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001276010724 952620114 /nfs/dbraw/zinc/62/01/14/952620114.db2.gz JKLVZTCUQIYLHM-ZIAGYGMSSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001340789080 953195506 /nfs/dbraw/zinc/19/55/06/953195506.db2.gz UFRABXWBAPAMPD-MRXNPFEDSA-N 2 2 308.470 0.908 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001282745143 953668901 /nfs/dbraw/zinc/66/89/01/953668901.db2.gz USYFKNFONNDFOG-UONOGXRCSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001282745143 953668906 /nfs/dbraw/zinc/66/89/06/953668906.db2.gz USYFKNFONNDFOG-UONOGXRCSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284219502 954936110 /nfs/dbraw/zinc/93/61/10/954936110.db2.gz JVYOZFRXKRGASL-QWHCGFSZSA-N 2 2 319.409 0.129 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284425415 955081475 /nfs/dbraw/zinc/08/14/75/955081475.db2.gz PLLUOAWHLSJERE-ZDUSSCGKSA-N 2 2 300.362 0.609 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001295429842 957700211 /nfs/dbraw/zinc/70/02/11/957700211.db2.gz LLSJXTNXPJXJIC-CQSZACIVSA-N 2 2 309.410 0.390 20 30 DCEDLP CC(C)[C@H](CNC(=O)NCC#CC[NH+](C)C)N1CC[NH+](C)CC1 ZINC001311535844 960252714 /nfs/dbraw/zinc/25/27/14/960252714.db2.gz KOVAMVPTMQCIOA-INIZCTEOSA-N 2 2 323.485 0.123 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001382430094 967364354 /nfs/dbraw/zinc/36/43/54/967364354.db2.gz LXSUYECZSUZEGO-LLVKDONJSA-N 2 2 300.790 0.422 20 30 DCEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390317072 989990084 /nfs/dbraw/zinc/99/00/84/989990084.db2.gz GCZVYTXPXTXRPO-WDEREUQCSA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390317072 989990093 /nfs/dbraw/zinc/99/00/93/989990093.db2.gz GCZVYTXPXTXRPO-WDEREUQCSA-N 2 2 320.231 0.320 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001503263334 1016156869 /nfs/dbraw/zinc/15/68/69/1016156869.db2.gz IBDNHJRQYLWIRK-JSGCOSHPSA-N 2 2 318.425 0.195 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001503263334 1016156874 /nfs/dbraw/zinc/15/68/74/1016156874.db2.gz IBDNHJRQYLWIRK-JSGCOSHPSA-N 2 2 318.425 0.195 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422560906 1010297433 /nfs/dbraw/zinc/29/74/33/1010297433.db2.gz AVIPOGYKLKBDMY-SECBINFHSA-N 2 2 301.188 0.955 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001506848653 1017611416 /nfs/dbraw/zinc/61/14/16/1017611416.db2.gz DIAULNWNUTZMIN-DZGCQCFKSA-N 2 2 304.394 0.489 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497283349 1018016586 /nfs/dbraw/zinc/01/65/86/1018016586.db2.gz NMOKKGADESNCOL-GJZGRUSLSA-N 2 2 306.410 0.968 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480112631 1018214530 /nfs/dbraw/zinc/21/45/30/1018214530.db2.gz YALDPWSWDLNBTB-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001497663671 1018319358 /nfs/dbraw/zinc/31/93/58/1018319358.db2.gz YUAMAOWQDFNFAY-KJPDOMRESA-N 2 2 305.422 0.525 20 30 DCEDLP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001497663671 1018319370 /nfs/dbraw/zinc/31/93/70/1018319370.db2.gz YUAMAOWQDFNFAY-KJPDOMRESA-N 2 2 305.422 0.525 20 30 DCEDLP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689192 1018579209 /nfs/dbraw/zinc/57/92/09/1018579209.db2.gz DYPDAQCULIHTNO-WBVHZDCISA-N 2 2 318.421 0.657 20 30 DCEDLP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689192 1018579218 /nfs/dbraw/zinc/57/92/18/1018579218.db2.gz DYPDAQCULIHTNO-WBVHZDCISA-N 2 2 318.421 0.657 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001495596468 1018592662 /nfs/dbraw/zinc/59/26/62/1018592662.db2.gz OTOQMMJGYYWQHM-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001501139068 1018915817 /nfs/dbraw/zinc/91/58/17/1018915817.db2.gz CBOOEHUIPKTPDY-UONOGXRCSA-N 2 2 304.394 0.286 20 30 DCEDLP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001501641043 1019347283 /nfs/dbraw/zinc/34/72/83/1019347283.db2.gz OSQNCBUGJOWYDU-HNNXBMFYSA-N 2 2 318.421 0.739 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001494098442 1019984549 /nfs/dbraw/zinc/98/45/49/1019984549.db2.gz KQPOIXUMLFQCDC-UHFFFAOYSA-N 2 2 319.453 0.214 20 30 DCEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1C ZINC000264119959 238190443 /nfs/dbraw/zinc/19/04/43/238190443.db2.gz QTMJYZXZCVHWJY-OAHLLOKOSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000491700503 241131389 /nfs/dbraw/zinc/13/13/89/241131389.db2.gz SVWZSYYARDSYTJ-KRWDZBQOSA-N 2 2 305.422 0.266 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000491700503 241131400 /nfs/dbraw/zinc/13/14/00/241131400.db2.gz SVWZSYYARDSYTJ-KRWDZBQOSA-N 2 2 305.422 0.266 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000079462404 396264897 /nfs/dbraw/zinc/26/48/97/396264897.db2.gz DSBIJPUOHWMONH-SJORKVTESA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000079462404 396264901 /nfs/dbraw/zinc/26/49/01/396264901.db2.gz DSBIJPUOHWMONH-SJORKVTESA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000079462404 396264903 /nfs/dbraw/zinc/26/49/03/396264903.db2.gz DSBIJPUOHWMONH-SJORKVTESA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000079462404 396264907 /nfs/dbraw/zinc/26/49/07/396264907.db2.gz DSBIJPUOHWMONH-SJORKVTESA-N 2 2 320.481 0.426 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)o1 ZINC000178902985 396213567 /nfs/dbraw/zinc/21/35/67/396213567.db2.gz JDLFHOITTWAIIH-ZDUSSCGKSA-N 2 2 318.377 0.174 20 30 DCEDLP N#Cc1ccc(CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000595887918 396675852 /nfs/dbraw/zinc/67/58/52/396675852.db2.gz HTCTXPAWXRPKRJ-QGZVFWFLSA-N 2 2 312.417 0.997 20 30 DCEDLP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000595887918 396675854 /nfs/dbraw/zinc/67/58/54/396675854.db2.gz HTCTXPAWXRPKRJ-QGZVFWFLSA-N 2 2 312.417 0.997 20 30 DCEDLP CN(CCC#N)C(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472807 397451378 /nfs/dbraw/zinc/45/13/78/397451378.db2.gz RAMHNYBXJYIYGL-UHFFFAOYSA-N 2 2 308.426 0.545 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290245048 335070417 /nfs/dbraw/zinc/07/04/17/335070417.db2.gz VVMCRJDGCOKJFW-HNNXBMFYSA-N 2 2 300.406 0.921 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C([O-])=[NH+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000329755395 416188310 /nfs/dbraw/zinc/18/83/10/416188310.db2.gz XZOKIPCNLQQNIL-OLZOCXBDSA-N 2 2 321.425 0.834 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)N(C)C([O-])=[NH+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329755395 416188313 /nfs/dbraw/zinc/18/83/13/416188313.db2.gz XZOKIPCNLQQNIL-OLZOCXBDSA-N 2 2 321.425 0.834 20 30 DCEDLP CN(CC[N@H+](C)CC(=O)NC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000347001509 416209581 /nfs/dbraw/zinc/20/95/81/416209581.db2.gz SMFYMCHINHIUSW-UHFFFAOYSA-N 2 2 321.469 0.507 20 30 DCEDLP CN(CC[N@@H+](C)CC(=O)NC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000347001509 416209585 /nfs/dbraw/zinc/20/95/85/416209585.db2.gz SMFYMCHINHIUSW-UHFFFAOYSA-N 2 2 321.469 0.507 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCC1 ZINC000347001509 416209587 /nfs/dbraw/zinc/20/95/87/416209587.db2.gz SMFYMCHINHIUSW-UHFFFAOYSA-N 2 2 321.469 0.507 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC1(C#N)CCC1 ZINC000347001509 416209589 /nfs/dbraw/zinc/20/95/89/416209589.db2.gz SMFYMCHINHIUSW-UHFFFAOYSA-N 2 2 321.469 0.507 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194747717 416324147 /nfs/dbraw/zinc/32/41/47/416324147.db2.gz QIIJWLLFMMXMSU-IYBDPMFKSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194747717 416324149 /nfs/dbraw/zinc/32/41/49/416324149.db2.gz QIIJWLLFMMXMSU-IYBDPMFKSA-N 2 2 321.465 0.899 20 30 DCEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000236680939 416328253 /nfs/dbraw/zinc/32/82/53/416328253.db2.gz MNMOEJKISZVTJV-OAHLLOKOSA-N 2 2 322.453 0.233 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2[C@@H](C)C[NH+](CC)C[C@@H]2C)CC1 ZINC000491296812 416593992 /nfs/dbraw/zinc/59/39/92/416593992.db2.gz NHHSZFCFUPLJEU-HOTGVXAUSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491338360 416596685 /nfs/dbraw/zinc/59/66/85/416596685.db2.gz HZBQTONQJVBVGC-HUUCEWRRSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000491636258 416608063 /nfs/dbraw/zinc/60/80/63/416608063.db2.gz VNPRXAAEOIGJCW-UHFFFAOYSA-N 2 2 305.422 0.313 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(CO)CC(C)C)CC1 ZINC000490740214 416572740 /nfs/dbraw/zinc/57/27/40/416572740.db2.gz JMBWLEGJQUSLHQ-GOSISDBHSA-N 2 2 321.465 0.637 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(CO)CC(C)C)CC1 ZINC000490740214 416572742 /nfs/dbraw/zinc/57/27/42/416572742.db2.gz JMBWLEGJQUSLHQ-GOSISDBHSA-N 2 2 321.465 0.637 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)C(CC)CC)CC1 ZINC000490780229 416575492 /nfs/dbraw/zinc/57/54/92/416575492.db2.gz HBAPNLWGGILRCW-UHFFFAOYSA-N 2 2 309.454 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)C(CC)CC)CC1 ZINC000490780229 416575496 /nfs/dbraw/zinc/57/54/96/416575496.db2.gz HBAPNLWGGILRCW-UHFFFAOYSA-N 2 2 309.454 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000490865310 416576391 /nfs/dbraw/zinc/57/63/91/416576391.db2.gz ANQHBHXDUSWNMI-IAGOWNOFSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000490865310 416576394 /nfs/dbraw/zinc/57/63/94/416576394.db2.gz ANQHBHXDUSWNMI-IAGOWNOFSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CCOC)c2ccco2)CC1 ZINC000490937595 416580760 /nfs/dbraw/zinc/58/07/60/416580760.db2.gz VETDAVGSPQRCFU-HNNXBMFYSA-N 2 2 319.405 0.724 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000491743762 416621149 /nfs/dbraw/zinc/62/11/49/416621149.db2.gz HXJRQVFAAWJIRB-QGZVFWFLSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000491743762 416621156 /nfs/dbraw/zinc/62/11/56/416621156.db2.gz HXJRQVFAAWJIRB-QGZVFWFLSA-N 2 2 319.449 0.512 20 30 DCEDLP C=CCn1cc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)nn1 ZINC000425348401 416698359 /nfs/dbraw/zinc/69/83/59/416698359.db2.gz DWBSCAUOBUCBDK-UHFFFAOYSA-N 2 2 321.425 0.971 20 30 DCEDLP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000564848320 416897829 /nfs/dbraw/zinc/89/78/29/416897829.db2.gz LQPLRFHLJXHFGX-UONOGXRCSA-N 2 2 300.472 0.220 20 30 DCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580543751 417711023 /nfs/dbraw/zinc/71/10/23/417711023.db2.gz QDICUSGNBQMSAU-ZOBUZTSGSA-N 2 2 311.470 0.697 20 30 DCEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662165232 418386600 /nfs/dbraw/zinc/38/66/00/418386600.db2.gz ATFZVOBDKNWWES-MRXNPFEDSA-N 2 2 303.406 0.467 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CCC[C@H]2C)CC1 ZINC000491484924 333108559 /nfs/dbraw/zinc/10/85/59/333108559.db2.gz LRQUTLVXIGRZHD-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@H]2CCC[C@H]2C)CC1 ZINC000491484924 333108560 /nfs/dbraw/zinc/10/85/60/333108560.db2.gz LRQUTLVXIGRZHD-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP Cn1c[nH+]cc1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000290758991 334174678 /nfs/dbraw/zinc/17/46/78/334174678.db2.gz ZCNVQDKJSUIIAE-UHFFFAOYSA-N 2 2 322.413 0.788 20 30 DCEDLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC001578471942 1159266418 /nfs/dbraw/zinc/26/64/18/1159266418.db2.gz UUCLSXFRYCYFGC-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C#CC1CC[NH2+]CC1 ZINC001578471942 1159266422 /nfs/dbraw/zinc/26/64/22/1159266422.db2.gz UUCLSXFRYCYFGC-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP Cc1nc(N2CC[NH+](CCC(=O)N(C)CCC#N)CC2)cc[nH+]1 ZINC000183772349 534757091 /nfs/dbraw/zinc/75/70/91/534757091.db2.gz SQAFFHHAIFXDDK-UHFFFAOYSA-N 2 2 316.409 0.669 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2ccccn2)CC1 ZINC000261672049 526356000 /nfs/dbraw/zinc/35/60/00/526356000.db2.gz JGDMBNSXMJLGLQ-UHFFFAOYSA-N 2 2 302.426 0.485 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000364688596 526723833 /nfs/dbraw/zinc/72/38/33/526723833.db2.gz UNWHOHYEULYXEH-UHFFFAOYSA-N 2 2 305.422 0.409 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCS(=O)(=O)C1 ZINC000262325103 529100702 /nfs/dbraw/zinc/10/07/02/529100702.db2.gz STMXXKPZILRICC-STQMWFEESA-N 2 2 316.471 0.200 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCS(=O)(=O)C1 ZINC000262325103 529100706 /nfs/dbraw/zinc/10/07/06/529100706.db2.gz STMXXKPZILRICC-STQMWFEESA-N 2 2 316.471 0.200 20 30 DCEDLP C[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000328768659 546039371 /nfs/dbraw/zinc/03/93/71/546039371.db2.gz GCFBGLSRFYEAKF-CABCVRRESA-N 2 2 312.458 0.943 20 30 DCEDLP C[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000328768659 546039378 /nfs/dbraw/zinc/03/93/78/546039378.db2.gz GCFBGLSRFYEAKF-CABCVRRESA-N 2 2 312.458 0.943 20 30 DCEDLP C=CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662253665 546371524 /nfs/dbraw/zinc/37/15/24/546371524.db2.gz VJSQOUHBVZRAMT-QWHCGFSZSA-N 2 2 300.424 0.183 20 30 DCEDLP C=CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662253665 546371526 /nfs/dbraw/zinc/37/15/26/546371526.db2.gz VJSQOUHBVZRAMT-QWHCGFSZSA-N 2 2 300.424 0.183 20 30 DCEDLP C=C(C)[C@@H](CO)[NH+]1CCC([NH+](CCOC)CCOC)CC1 ZINC000671730309 547288861 /nfs/dbraw/zinc/28/88/61/547288861.db2.gz VMHQXSYKHJJYQK-MRXNPFEDSA-N 2 2 300.443 0.983 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981208759 661101570 /nfs/dbraw/zinc/10/15/70/661101570.db2.gz BYHPKXKLPPMQMS-UHFFFAOYSA-N 2 2 300.406 0.929 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000981208759 661101571 /nfs/dbraw/zinc/10/15/71/661101571.db2.gz BYHPKXKLPPMQMS-UHFFFAOYSA-N 2 2 300.406 0.929 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028100868 661172400 /nfs/dbraw/zinc/17/24/00/661172400.db2.gz MSQRXUNYIXRJET-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028100868 661172401 /nfs/dbraw/zinc/17/24/01/661172401.db2.gz MSQRXUNYIXRJET-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970764011 657894190 /nfs/dbraw/zinc/89/41/90/657894190.db2.gz XFWGAGAWERXUGR-CVEARBPZSA-N 2 2 307.438 0.864 20 30 DCEDLP C#C[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000934509349 658467763 /nfs/dbraw/zinc/46/77/63/658467763.db2.gz BIJOODCMBNTTBQ-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@@H]1CCCC[NH+]1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934509349 658467766 /nfs/dbraw/zinc/46/77/66/658467766.db2.gz BIJOODCMBNTTBQ-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000934509349 658467773 /nfs/dbraw/zinc/46/77/73/658467773.db2.gz BIJOODCMBNTTBQ-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000934509349 658467777 /nfs/dbraw/zinc/46/77/77/658467777.db2.gz BIJOODCMBNTTBQ-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@H+](CCC)CCO2 ZINC000972416497 658739621 /nfs/dbraw/zinc/73/96/21/658739621.db2.gz IXODOVMMWMDXMY-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[N@@H+](CCC)CCO2 ZINC000972416497 658739625 /nfs/dbraw/zinc/73/96/25/658739625.db2.gz IXODOVMMWMDXMY-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCC)CCO2 ZINC000972416497 658739627 /nfs/dbraw/zinc/73/96/27/658739627.db2.gz IXODOVMMWMDXMY-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)C[NH+](CCC)CCO2 ZINC000972416497 658739631 /nfs/dbraw/zinc/73/96/31/658739631.db2.gz IXODOVMMWMDXMY-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675863 665607822 /nfs/dbraw/zinc/60/78/22/665607822.db2.gz SSMCWLVFAAUWAU-HOTGVXAUSA-N 2 2 315.421 0.367 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675863 665607823 /nfs/dbraw/zinc/60/78/23/665607823.db2.gz SSMCWLVFAAUWAU-HOTGVXAUSA-N 2 2 315.421 0.367 20 30 DCEDLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1N=CC=CC1=O ZINC000925600926 659320080 /nfs/dbraw/zinc/32/00/80/659320080.db2.gz GLKJSPZCCUIXGR-FARYLTDUSA-N 2 2 304.394 0.777 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038345302 659737097 /nfs/dbraw/zinc/73/70/97/659737097.db2.gz KTFGNFLPJXYNQT-SJORKVTESA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038345302 659737101 /nfs/dbraw/zinc/73/71/01/659737101.db2.gz KTFGNFLPJXYNQT-SJORKVTESA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038345302 659737103 /nfs/dbraw/zinc/73/71/03/659737103.db2.gz KTFGNFLPJXYNQT-SJORKVTESA-N 2 2 319.449 0.844 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038345302 659737108 /nfs/dbraw/zinc/73/71/08/659737108.db2.gz KTFGNFLPJXYNQT-SJORKVTESA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000115255 665745966 /nfs/dbraw/zinc/74/59/66/665745966.db2.gz BJZXKLNJEFKXFG-INIZCTEOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000115255 665745969 /nfs/dbraw/zinc/74/59/69/665745969.db2.gz BJZXKLNJEFKXFG-INIZCTEOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643733 661716131 /nfs/dbraw/zinc/71/61/31/661716131.db2.gz RJTNCAZZLPSKNE-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643733 661716132 /nfs/dbraw/zinc/71/61/32/661716132.db2.gz RJTNCAZZLPSKNE-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032785159 665824980 /nfs/dbraw/zinc/82/49/80/665824980.db2.gz ZKMVLTZOTLPCRD-PMPSAXMXSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032785159 665824983 /nfs/dbraw/zinc/82/49/83/665824983.db2.gz ZKMVLTZOTLPCRD-PMPSAXMXSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990109135 663004934 /nfs/dbraw/zinc/00/49/34/663004934.db2.gz QJTIFAAEMYETJS-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990109135 663004935 /nfs/dbraw/zinc/00/49/35/663004935.db2.gz QJTIFAAEMYETJS-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990109135 663004936 /nfs/dbraw/zinc/00/49/36/663004936.db2.gz QJTIFAAEMYETJS-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990109135 663004938 /nfs/dbraw/zinc/00/49/38/663004938.db2.gz QJTIFAAEMYETJS-BFYDXBDKSA-N 2 2 305.422 0.454 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC000913477329 664327074 /nfs/dbraw/zinc/32/70/74/664327074.db2.gz HNEWKBKUPRWSMQ-HNNXBMFYSA-N 2 2 311.426 0.054 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567029 666023672 /nfs/dbraw/zinc/02/36/72/666023672.db2.gz OXLHZFCJPCUSFL-DOTOQJQBSA-N 2 2 318.465 0.036 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567029 666023674 /nfs/dbraw/zinc/02/36/74/666023674.db2.gz OXLHZFCJPCUSFL-DOTOQJQBSA-N 2 2 318.465 0.036 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001032837135 666289144 /nfs/dbraw/zinc/28/91/44/666289144.db2.gz IEYDOZTVDGGHCP-XHSDSOJGSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001032837135 666289146 /nfs/dbraw/zinc/28/91/46/666289146.db2.gz IEYDOZTVDGGHCP-XHSDSOJGSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC001032837135 666289148 /nfs/dbraw/zinc/28/91/48/666289148.db2.gz IEYDOZTVDGGHCP-XHSDSOJGSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H]2CCOC2)C1 ZINC001032837135 666289150 /nfs/dbraw/zinc/28/91/50/666289150.db2.gz IEYDOZTVDGGHCP-XHSDSOJGSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033220300 666633351 /nfs/dbraw/zinc/63/33/51/666633351.db2.gz NISNFHCBNJECNZ-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033220300 666633353 /nfs/dbraw/zinc/63/33/53/666633353.db2.gz NISNFHCBNJECNZ-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863569856 667158785 /nfs/dbraw/zinc/15/87/85/667158785.db2.gz AVEDSMNOXIOTQA-JKSUJKDBSA-N 2 2 316.405 0.521 20 30 DCEDLP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863569856 667158788 /nfs/dbraw/zinc/15/87/88/667158788.db2.gz AVEDSMNOXIOTQA-JKSUJKDBSA-N 2 2 316.405 0.521 20 30 DCEDLP C[C@H](O)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000865739195 667343101 /nfs/dbraw/zinc/34/31/01/667343101.db2.gz TZXRVDKTNJKNDI-GUYCJALGSA-N 2 2 303.406 0.854 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C#N)CCCOC3)C2)CC1 ZINC000865751410 667344355 /nfs/dbraw/zinc/34/43/55/667344355.db2.gz YVYKCBXJRBHGSS-YOEHRIQHSA-N 2 2 320.437 0.591 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C#N)CCCOC3)C2)CC1 ZINC000865751410 667344358 /nfs/dbraw/zinc/34/43/58/667344358.db2.gz YVYKCBXJRBHGSS-YOEHRIQHSA-N 2 2 320.437 0.591 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000884196805 667495426 /nfs/dbraw/zinc/49/54/26/667495426.db2.gz BZEAVNAQUPVKKA-AWEZNQCLSA-N 2 2 310.467 0.432 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCSCC2)C1 ZINC000884196805 667495428 /nfs/dbraw/zinc/49/54/28/667495428.db2.gz BZEAVNAQUPVKKA-AWEZNQCLSA-N 2 2 310.467 0.432 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000884226107 667504208 /nfs/dbraw/zinc/50/42/08/667504208.db2.gz KVYVRMZZSLKQEO-KGLIPLIRSA-N 2 2 309.410 0.377 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000884226636 667504257 /nfs/dbraw/zinc/50/42/57/667504257.db2.gz XQMYDFRTFWNBFX-MJBXVCDLSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000884226636 667504259 /nfs/dbraw/zinc/50/42/59/667504259.db2.gz XQMYDFRTFWNBFX-MJBXVCDLSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000884295141 667518341 /nfs/dbraw/zinc/51/83/41/667518341.db2.gz QYLRPPISXCPRQT-KFWWJZLASA-N 2 2 323.437 0.671 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000884309136 667520795 /nfs/dbraw/zinc/52/07/95/667520795.db2.gz NAOUYVABLBBYKY-RUXDESIVSA-N 2 2 311.426 0.670 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000884335764 667526617 /nfs/dbraw/zinc/52/66/17/667526617.db2.gz BFDALSUTOLGQAH-MELADBBJSA-N 2 2 309.410 0.424 20 30 DCEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000923411239 667529418 /nfs/dbraw/zinc/52/94/18/667529418.db2.gz AWCCMHODAIZZLA-MRXNPFEDSA-N 2 2 319.405 0.344 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000884058288 669834884 /nfs/dbraw/zinc/83/48/84/669834884.db2.gz GFDHPSMZJUOGTO-LSDHHAIUSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000884058288 669834888 /nfs/dbraw/zinc/83/48/88/669834888.db2.gz GFDHPSMZJUOGTO-LSDHHAIUSA-N 2 2 308.426 0.104 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NCC(C)(C)CO)cn2)CC1 ZINC000799115723 670040550 /nfs/dbraw/zinc/04/05/50/670040550.db2.gz MXMHOSGABYZFMW-UHFFFAOYSA-N 2 2 306.414 0.170 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000949472621 670349621 /nfs/dbraw/zinc/34/96/21/670349621.db2.gz JOIQYFRGCGBYFB-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000949472621 670349622 /nfs/dbraw/zinc/34/96/22/670349622.db2.gz JOIQYFRGCGBYFB-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000949472621 670349623 /nfs/dbraw/zinc/34/96/23/670349623.db2.gz JOIQYFRGCGBYFB-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#C[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000847025664 670510705 /nfs/dbraw/zinc/51/07/05/670510705.db2.gz CNFYEZBIVVQFDQ-SJORKVTESA-N 2 2 321.465 0.805 20 30 DCEDLP C#C[C@@H]1CCC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000847025664 670510709 /nfs/dbraw/zinc/51/07/09/670510709.db2.gz CNFYEZBIVVQFDQ-SJORKVTESA-N 2 2 321.465 0.805 20 30 DCEDLP C#C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000847025664 670510712 /nfs/dbraw/zinc/51/07/12/670510712.db2.gz CNFYEZBIVVQFDQ-SJORKVTESA-N 2 2 321.465 0.805 20 30 DCEDLP C#C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000847025664 670510716 /nfs/dbraw/zinc/51/07/16/670510716.db2.gz CNFYEZBIVVQFDQ-SJORKVTESA-N 2 2 321.465 0.805 20 30 DCEDLP COC(=O)CC[NH+]1CCC(=NNCCCn2cc[nH+]c2)CC1 ZINC000848417075 670679836 /nfs/dbraw/zinc/67/98/36/670679836.db2.gz KCXVSTCHUFVZBO-UHFFFAOYSA-N 2 2 307.398 0.878 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000088201440 685092074 /nfs/dbraw/zinc/09/20/74/685092074.db2.gz RCQIFBNZPZHKJS-LBPRGKRZSA-N 3 2 319.457 0.388 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000088201440 685092084 /nfs/dbraw/zinc/09/20/84/685092084.db2.gz RCQIFBNZPZHKJS-LBPRGKRZSA-N 3 2 319.457 0.388 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001691846340 1158751130 /nfs/dbraw/zinc/75/11/30/1158751130.db2.gz VNLPLTITMXLCQE-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001691846340 1158751134 /nfs/dbraw/zinc/75/11/34/1158751134.db2.gz VNLPLTITMXLCQE-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001691846340 1158751137 /nfs/dbraw/zinc/75/11/37/1158751137.db2.gz VNLPLTITMXLCQE-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365640294 685223265 /nfs/dbraw/zinc/22/32/65/685223265.db2.gz RRKDWBURELZCFQ-STQMWFEESA-N 2 2 319.409 1.000 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365640294 685223275 /nfs/dbraw/zinc/22/32/75/685223275.db2.gz RRKDWBURELZCFQ-STQMWFEESA-N 2 2 319.409 1.000 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000962653821 688961789 /nfs/dbraw/zinc/96/17/89/688961789.db2.gz PMPNETRKYYBDNU-RFQIPJPRSA-N 2 2 313.829 0.506 20 30 DCEDLP 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DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690076120 1177162904 /nfs/dbraw/zinc/16/29/04/1177162904.db2.gz CZDOGRPKPIRTNV-KRWDZBQOSA-N 2 2 320.481 0.475 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001690113207 1177174339 /nfs/dbraw/zinc/17/43/39/1177174339.db2.gz CPVNGTLKUIVMLM-HNNXBMFYSA-N 2 2 316.453 0.826 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001690113207 1177174344 /nfs/dbraw/zinc/17/43/44/1177174344.db2.gz CPVNGTLKUIVMLM-HNNXBMFYSA-N 2 2 316.453 0.826 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690754328 1177318551 /nfs/dbraw/zinc/31/85/51/1177318551.db2.gz ZSHYCUOWQUVSHF-ZDUSSCGKSA-N 2 2 319.409 0.001 20 30 DCEDLP COCC#CC[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001698996695 1177756305 /nfs/dbraw/zinc/75/63/05/1177756305.db2.gz BOYRPJMRWVYSJW-OAHLLOKOSA-N 2 2 306.410 0.874 20 30 DCEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001698996695 1177756314 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/nfs/dbraw/zinc/28/65/30/1185286530.db2.gz GYIQWNKBVIPLPK-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731688317 1185444647 /nfs/dbraw/zinc/44/46/47/1185444647.db2.gz XVESLJSLIJFHCU-KGLIPLIRSA-N 2 2 319.409 0.012 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001731922602 1185576447 /nfs/dbraw/zinc/57/64/47/1185576447.db2.gz MGROQJWDOUUBBQ-UHFFFAOYSA-N 2 2 321.425 0.277 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](CC)CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001732216891 1185739305 /nfs/dbraw/zinc/73/93/05/1185739305.db2.gz GPBNQFGTVXJKMA-OLZOCXBDSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733588812 1186346119 /nfs/dbraw/zinc/34/61/19/1186346119.db2.gz PKPJEPVHPLFWHZ-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001733588812 1186346126 /nfs/dbraw/zinc/34/61/26/1186346126.db2.gz PKPJEPVHPLFWHZ-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733588812 1186346131 /nfs/dbraw/zinc/34/61/31/1186346131.db2.gz PKPJEPVHPLFWHZ-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001733588812 1186346137 /nfs/dbraw/zinc/34/61/37/1186346137.db2.gz PKPJEPVHPLFWHZ-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001733738046 1186423188 /nfs/dbraw/zinc/42/31/88/1186423188.db2.gz PAZHLOVPTGLGFM-UKRRQHHQSA-N 2 2 304.394 0.449 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001733795816 1186452352 /nfs/dbraw/zinc/45/23/52/1186452352.db2.gz VSZBIIRRLMLVRJ-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001733795816 1186452356 /nfs/dbraw/zinc/45/23/56/1186452356.db2.gz VSZBIIRRLMLVRJ-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001733821271 1186462024 /nfs/dbraw/zinc/46/20/24/1186462024.db2.gz DZRKNNBFNHTEKH-MRXNPFEDSA-N 2 2 306.410 0.816 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001734125447 1186554401 /nfs/dbraw/zinc/55/44/01/1186554401.db2.gz IFHAUYPUOCQYQO-GJZGRUSLSA-N 2 2 307.438 0.415 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001734521564 1186674843 /nfs/dbraw/zinc/67/48/43/1186674843.db2.gz KDMWFAKAELKIOS-CVEARBPZSA-N 2 2 320.437 0.903 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734544263 1186687092 /nfs/dbraw/zinc/68/70/92/1186687092.db2.gz NVTURTNFVQIQON-GOEBONIOSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001734544263 1186687093 /nfs/dbraw/zinc/68/70/93/1186687093.db2.gz NVTURTNFVQIQON-GOEBONIOSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001753403418 1187958367 /nfs/dbraw/zinc/95/83/67/1187958367.db2.gz UVPCVRYQGVYYEJ-UHFFFAOYSA-N 2 2 300.406 0.833 20 30 DCEDLP C=C(C)CC[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001752374972 1188419288 /nfs/dbraw/zinc/41/92/88/1188419288.db2.gz QPLOTNZTJKXXDL-UHFFFAOYSA-N 2 2 305.426 0.652 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001752878908 1188454758 /nfs/dbraw/zinc/45/47/58/1188454758.db2.gz SWJCFOVYHPGMNN-KBPBESRZSA-N 2 2 303.410 0.112 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001752878908 1188454761 /nfs/dbraw/zinc/45/47/61/1188454761.db2.gz SWJCFOVYHPGMNN-KBPBESRZSA-N 2 2 303.410 0.112 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001755400737 1189101950 /nfs/dbraw/zinc/10/19/50/1189101950.db2.gz ADUSPCNEPYWMSN-GOSISDBHSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001755400737 1189101952 /nfs/dbraw/zinc/10/19/52/1189101952.db2.gz ADUSPCNEPYWMSN-GOSISDBHSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001755400737 1189101954 /nfs/dbraw/zinc/10/19/54/1189101954.db2.gz ADUSPCNEPYWMSN-GOSISDBHSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001755400737 1189101956 /nfs/dbraw/zinc/10/19/56/1189101956.db2.gz ADUSPCNEPYWMSN-GOSISDBHSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001755591166 1189154618 /nfs/dbraw/zinc/15/46/18/1189154618.db2.gz HJFDJNBRLMFWDW-GJZGRUSLSA-N 2 2 315.421 0.511 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001755591166 1189154621 /nfs/dbraw/zinc/15/46/21/1189154621.db2.gz HJFDJNBRLMFWDW-GJZGRUSLSA-N 2 2 315.421 0.511 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001755874777 1189242620 /nfs/dbraw/zinc/24/26/20/1189242620.db2.gz UNSWXFHMSGBWJO-UHFFFAOYSA-N 2 2 300.362 0.646 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083769036 751623649 /nfs/dbraw/zinc/62/36/49/751623649.db2.gz BKLVZUZKJIAMFW-BNOWGMLFSA-N 2 2 302.378 0.014 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083769036 751623654 /nfs/dbraw/zinc/62/36/54/751623654.db2.gz BKLVZUZKJIAMFW-BNOWGMLFSA-N 2 2 302.378 0.014 20 30 DCEDLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001125219767 751841446 /nfs/dbraw/zinc/84/14/46/751841446.db2.gz BJYUXHNARYPFSK-HNNXBMFYSA-N 2 2 320.368 0.234 20 30 DCEDLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001125219767 751841456 /nfs/dbraw/zinc/84/14/56/751841456.db2.gz BJYUXHNARYPFSK-HNNXBMFYSA-N 2 2 320.368 0.234 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956631 746986558 /nfs/dbraw/zinc/98/65/58/746986558.db2.gz LUYKKWOOQYEWRI-OJLVUWQFSA-N 2 2 318.421 0.837 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956631 746986561 /nfs/dbraw/zinc/98/65/61/746986561.db2.gz LUYKKWOOQYEWRI-OJLVUWQFSA-N 2 2 318.421 0.837 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956631 746986563 /nfs/dbraw/zinc/98/65/63/746986563.db2.gz LUYKKWOOQYEWRI-OJLVUWQFSA-N 2 2 318.421 0.837 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956631 746986565 /nfs/dbraw/zinc/98/65/65/746986565.db2.gz LUYKKWOOQYEWRI-OJLVUWQFSA-N 2 2 318.421 0.837 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077258953 750300001 /nfs/dbraw/zinc/30/00/01/750300001.db2.gz DDJVKQIVQANCBM-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077258953 750300007 /nfs/dbraw/zinc/30/00/07/750300007.db2.gz DDJVKQIVQANCBM-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583404 750415491 /nfs/dbraw/zinc/41/54/91/750415491.db2.gz FPUYDMKUGYJJIE-IMJJTQAJSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583404 750415493 /nfs/dbraw/zinc/41/54/93/750415493.db2.gz FPUYDMKUGYJJIE-IMJJTQAJSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584060 750416204 /nfs/dbraw/zinc/41/62/04/750416204.db2.gz DKLXJFGJJVQMFV-WQVCFCJDSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584060 750416208 /nfs/dbraw/zinc/41/62/08/750416208.db2.gz DKLXJFGJJVQMFV-WQVCFCJDSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584060 750416209 /nfs/dbraw/zinc/41/62/09/750416209.db2.gz DKLXJFGJJVQMFV-WQVCFCJDSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)[C@@H](O)C1 ZINC001083584060 750416213 /nfs/dbraw/zinc/41/62/13/750416213.db2.gz DKLXJFGJJVQMFV-WQVCFCJDSA-N 2 2 318.421 0.560 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007141 762084027 /nfs/dbraw/zinc/08/40/27/762084027.db2.gz MPNTZTHTSBOVHN-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007141 762084032 /nfs/dbraw/zinc/08/40/32/762084032.db2.gz MPNTZTHTSBOVHN-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001106343035 751116094 /nfs/dbraw/zinc/11/60/94/751116094.db2.gz NJFIUXWANTUTKY-QLFBSQMISA-N 2 2 300.406 0.763 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001106479759 751163534 /nfs/dbraw/zinc/16/35/34/751163534.db2.gz PNDTUVMMENTQCF-ZACQAIPSSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001106479759 751163537 /nfs/dbraw/zinc/16/35/37/751163537.db2.gz PNDTUVMMENTQCF-ZACQAIPSSA-N 2 2 321.465 0.805 20 30 DCEDLP C=CCOCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168500240 751267799 /nfs/dbraw/zinc/26/77/99/751267799.db2.gz UXOIXLJEEAKWIX-UHFFFAOYSA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001113067803 762121188 /nfs/dbraw/zinc/12/11/88/762121188.db2.gz RENVNMSRZYVOJQ-UHFFFAOYSA-N 2 2 307.438 0.962 20 30 DCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089928388 752718075 /nfs/dbraw/zinc/71/80/75/752718075.db2.gz JILNHWFNYBANOJ-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089928388 752718078 /nfs/dbraw/zinc/71/80/78/752718078.db2.gz JILNHWFNYBANOJ-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928388 752718081 /nfs/dbraw/zinc/71/80/81/752718081.db2.gz JILNHWFNYBANOJ-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928388 752718085 /nfs/dbraw/zinc/71/80/85/752718085.db2.gz JILNHWFNYBANOJ-CVEARBPZSA-N 2 2 319.449 0.701 20 30 DCEDLP C[N@H+](CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CCC1 ZINC001046035341 753437837 /nfs/dbraw/zinc/43/78/37/753437837.db2.gz JROBTAANKVOYOH-MRXNPFEDSA-N 2 2 319.453 0.213 20 30 DCEDLP C[N@H+](CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1)C1CCC1 ZINC001046035340 753438127 /nfs/dbraw/zinc/43/81/27/753438127.db2.gz JROBTAANKVOYOH-INIZCTEOSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046066716 753460026 /nfs/dbraw/zinc/46/00/26/753460026.db2.gz PLCOIPYQFNIBBN-MRXNPFEDSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046066716 753460033 /nfs/dbraw/zinc/46/00/33/753460033.db2.gz PLCOIPYQFNIBBN-MRXNPFEDSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073329 753465135 /nfs/dbraw/zinc/46/51/35/753465135.db2.gz BQCAUZUAKBHLPJ-HNNXBMFYSA-N 2 2 315.421 0.194 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073329 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C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342302 756178394 /nfs/dbraw/zinc/17/83/94/756178394.db2.gz PRRDWPOPFRXISV-XNRPHZJLSA-N 2 2 300.406 0.824 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806699 756215903 /nfs/dbraw/zinc/21/59/03/756215903.db2.gz PAHSVSJXTUKUBE-RBSFLKMASA-N 2 2 307.438 0.862 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806699 756215904 /nfs/dbraw/zinc/21/59/04/756215904.db2.gz PAHSVSJXTUKUBE-RBSFLKMASA-N 2 2 307.438 0.862 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CO2 ZINC001053844417 756235952 /nfs/dbraw/zinc/23/59/52/756235952.db2.gz INNXUUGZJWYISD-QLFBSQMISA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CO2 ZINC001053844417 756235956 /nfs/dbraw/zinc/23/59/56/756235956.db2.gz INNXUUGZJWYISD-QLFBSQMISA-N 2 2 323.437 0.241 20 30 DCEDLP 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CSIXQLOXQAITKB-UONOGXRCSA-N 2 2 319.409 0.327 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336983 772026714 /nfs/dbraw/zinc/02/67/14/772026714.db2.gz QCWGNUOFXDLKDJ-JHJVBQTASA-N 2 2 319.409 0.300 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336983 772026716 /nfs/dbraw/zinc/02/67/16/772026716.db2.gz QCWGNUOFXDLKDJ-JHJVBQTASA-N 2 2 319.409 0.300 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC12CCOCC2 ZINC001186530354 772052451 /nfs/dbraw/zinc/05/24/51/772052451.db2.gz KBSQWIWWEGHQNN-CQSZACIVSA-N 2 2 318.421 0.983 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386401 772106760 /nfs/dbraw/zinc/10/67/60/772106760.db2.gz OFELGFKKGYYGRQ-WCVJEAGWSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386401 772106761 /nfs/dbraw/zinc/10/67/61/772106761.db2.gz OFELGFKKGYYGRQ-WCVJEAGWSA-N 2 2 305.422 0.452 20 30 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322.453 0.000 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859448 773895184 /nfs/dbraw/zinc/89/51/84/773895184.db2.gz CHYSXUKBIINBJG-HUUCEWRRSA-N 2 2 322.409 0.210 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213859448 773895192 /nfs/dbraw/zinc/89/51/92/773895192.db2.gz CHYSXUKBIINBJG-HUUCEWRRSA-N 2 2 322.409 0.210 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216630956 774126221 /nfs/dbraw/zinc/12/62/21/774126221.db2.gz VQPPISMFYRXOSV-GDBMZVCRSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200291640 774317794 /nfs/dbraw/zinc/31/77/94/774317794.db2.gz NFQOEUUUSSTHSF-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP N#CC1(NC(=O)[C@@H]([NH3+])CC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC001220643555 774874827 /nfs/dbraw/zinc/87/48/27/774874827.db2.gz KDZOBGUEOIUZST-HNNXBMFYSA-N 3 2 315.421 0.337 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616312 775159745 /nfs/dbraw/zinc/15/97/45/775159745.db2.gz JAPFYKFXTJFUOF-ZACQAIPSSA-N 2 2 319.449 0.509 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616312 775159747 /nfs/dbraw/zinc/15/97/47/775159747.db2.gz JAPFYKFXTJFUOF-ZACQAIPSSA-N 2 2 319.449 0.509 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968337 775237210 /nfs/dbraw/zinc/23/72/10/775237210.db2.gz KSIUTMKNTJEQLL-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221968337 775237214 /nfs/dbraw/zinc/23/72/14/775237214.db2.gz KSIUTMKNTJEQLL-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221968337 775237223 /nfs/dbraw/zinc/23/72/23/775237223.db2.gz KSIUTMKNTJEQLL-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001221968337 775237231 /nfs/dbraw/zinc/23/72/31/775237231.db2.gz KSIUTMKNTJEQLL-HUUCEWRRSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099673 775272528 /nfs/dbraw/zinc/27/25/28/775272528.db2.gz ZSOQNEGIBQNWEZ-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572914 775502221 /nfs/dbraw/zinc/50/22/21/775502221.db2.gz WKWYWEAVCSXOLZ-ZBFHGGJFSA-N 2 2 316.405 0.525 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001223572914 775502227 /nfs/dbraw/zinc/50/22/27/775502227.db2.gz WKWYWEAVCSXOLZ-ZBFHGGJFSA-N 2 2 316.405 0.525 20 30 DCEDLP C=CCOCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224958485 775625511 /nfs/dbraw/zinc/62/55/11/775625511.db2.gz UUFPTTBMDLTMNP-UHFFFAOYSA-N 2 2 306.410 0.983 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266695374 939212386 /nfs/dbraw/zinc/21/23/86/939212386.db2.gz UDGNQDNJZCPOHU-SOUVJXGZSA-N 2 2 318.421 0.885 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ocnc2C)CC1 ZINC001267232559 939398195 /nfs/dbraw/zinc/39/81/95/939398195.db2.gz IVPJUVXUASRVGU-UHFFFAOYSA-N 2 2 318.421 0.876 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ocnc2C)CC1 ZINC001267232559 939398200 /nfs/dbraw/zinc/39/82/00/939398200.db2.gz IVPJUVXUASRVGU-UHFFFAOYSA-N 2 2 318.421 0.876 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001267386449 939444973 /nfs/dbraw/zinc/44/49/73/939444973.db2.gz IRDLZQQOGKCHSQ-HNNXBMFYSA-N 2 2 318.421 0.883 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(CC)o1 ZINC001267386449 939444974 /nfs/dbraw/zinc/44/49/74/939444974.db2.gz IRDLZQQOGKCHSQ-HNNXBMFYSA-N 2 2 318.421 0.883 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434680 939455406 /nfs/dbraw/zinc/45/54/06/939455406.db2.gz NFVNKGJQQOLJOL-UHFFFAOYSA-N 2 2 301.188 0.909 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318217319 945294286 /nfs/dbraw/zinc/29/42/86/945294286.db2.gz ZYCCCDNRKXFVOK-GJZGRUSLSA-N 2 2 305.422 0.263 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318217319 945294289 /nfs/dbraw/zinc/29/42/89/945294289.db2.gz ZYCCCDNRKXFVOK-GJZGRUSLSA-N 2 2 305.422 0.263 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268378282 940093178 /nfs/dbraw/zinc/09/31/78/940093178.db2.gz STBCTOQZSLAVEL-LSDHHAIUSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001268690958 940332068 /nfs/dbraw/zinc/33/20/68/940332068.db2.gz WQJYKTGCZMQDGE-SCRDCRAPSA-N 2 2 318.425 0.366 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001268690958 940332072 /nfs/dbraw/zinc/33/20/72/940332072.db2.gz WQJYKTGCZMQDGE-SCRDCRAPSA-N 2 2 318.425 0.366 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ncc(C)o2)CC1 ZINC001268716545 940339854 /nfs/dbraw/zinc/33/98/54/940339854.db2.gz GJDQEANSNDHEDJ-ZDUSSCGKSA-N 2 2 318.421 0.923 20 30 DCEDLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC#CCOC ZINC001269189268 940642574 /nfs/dbraw/zinc/64/25/74/940642574.db2.gz RCKLMDRBRLIKFY-JKSUJKDBSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001269619209 940744005 /nfs/dbraw/zinc/74/40/05/940744005.db2.gz LYNDREBPRDJRGX-KRWDZBQOSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@](C)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001269619209 940744009 /nfs/dbraw/zinc/74/40/09/940744009.db2.gz LYNDREBPRDJRGX-KRWDZBQOSA-N 2 2 318.421 0.867 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001484279544 943290741 /nfs/dbraw/zinc/29/07/41/943290741.db2.gz MENXWNIYZRWMOP-GJZGRUSLSA-N 2 2 307.438 0.742 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001484279544 943290745 /nfs/dbraw/zinc/29/07/45/943290745.db2.gz MENXWNIYZRWMOP-GJZGRUSLSA-N 2 2 307.438 0.742 20 30 DCEDLP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001484288020 943293722 /nfs/dbraw/zinc/29/37/22/943293722.db2.gz HXJHRCUMFCMXGC-OAHLLOKOSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484288020 943293725 /nfs/dbraw/zinc/29/37/25/943293725.db2.gz HXJHRCUMFCMXGC-OAHLLOKOSA-N 2 2 309.454 0.990 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001484682079 943513769 /nfs/dbraw/zinc/51/37/69/943513769.db2.gz HELLKIDOKFFDCI-LSDHHAIUSA-N 2 2 316.405 0.286 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001276942643 944601991 /nfs/dbraw/zinc/60/19/91/944601991.db2.gz YVALPXHGOBRQTL-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC001276942643 944601997 /nfs/dbraw/zinc/60/19/97/944601997.db2.gz YVALPXHGOBRQTL-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317046161 944757622 /nfs/dbraw/zinc/75/76/22/944757622.db2.gz XSVGZRYZOXDASO-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317046161 944757627 /nfs/dbraw/zinc/75/76/27/944757627.db2.gz XSVGZRYZOXDASO-HNNXBMFYSA-N 2 2 318.421 0.772 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001486350963 944806183 /nfs/dbraw/zinc/80/61/83/944806183.db2.gz NPSNHGMCKVVUTP-LSDHHAIUSA-N 2 2 306.410 0.609 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001486350963 944806191 /nfs/dbraw/zinc/80/61/91/944806191.db2.gz NPSNHGMCKVVUTP-LSDHHAIUSA-N 2 2 306.410 0.609 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486351899 944809291 /nfs/dbraw/zinc/80/92/91/944809291.db2.gz YRRNTKTZMQTPQB-ZFWWWQNUSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486351899 944809299 /nfs/dbraw/zinc/80/92/99/944809299.db2.gz YRRNTKTZMQTPQB-ZFWWWQNUSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486351899 944809304 /nfs/dbraw/zinc/80/93/04/944809304.db2.gz YRRNTKTZMQTPQB-ZFWWWQNUSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486351899 944809311 /nfs/dbraw/zinc/80/93/11/944809311.db2.gz YRRNTKTZMQTPQB-ZFWWWQNUSA-N 2 2 308.426 0.916 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317171612 944835909 /nfs/dbraw/zinc/83/59/09/944835909.db2.gz CBSFXTFPJJCYAE-HUUCEWRRSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317171612 944835919 /nfs/dbraw/zinc/83/59/19/944835919.db2.gz CBSFXTFPJJCYAE-HUUCEWRRSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317245111 944873577 /nfs/dbraw/zinc/87/35/77/944873577.db2.gz DSVKCGQMEHZCHK-LLVKDONJSA-N 2 2 315.377 0.573 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)C1=O 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306.410 0.560 20 30 DCEDLP C=C[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320428047 945873453 /nfs/dbraw/zinc/87/34/53/945873453.db2.gz QRNXARWYDODNKQ-KGLIPLIRSA-N 2 2 310.442 0.655 20 30 DCEDLP C=C[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320428047 945873468 /nfs/dbraw/zinc/87/34/68/945873468.db2.gz QRNXARWYDODNKQ-KGLIPLIRSA-N 2 2 310.442 0.655 20 30 DCEDLP C=C[C@H](COC)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001320666551 945969889 /nfs/dbraw/zinc/96/98/89/945969889.db2.gz YTIKVFOGKLNYRB-ZBFHGGJFSA-N 2 2 324.469 0.997 20 30 DCEDLP C=C[C@H](COC)NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001320666551 945969897 /nfs/dbraw/zinc/96/98/97/945969897.db2.gz YTIKVFOGKLNYRB-ZBFHGGJFSA-N 2 2 324.469 0.997 20 30 DCEDLP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278823568 946447697 /nfs/dbraw/zinc/44/76/97/946447697.db2.gz ZJVZGHDYRTZKNP-INIZCTEOSA-N 2 2 306.410 0.780 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278823568 946447701 /nfs/dbraw/zinc/44/77/01/946447701.db2.gz ZJVZGHDYRTZKNP-INIZCTEOSA-N 2 2 306.410 0.780 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675243 947501505 /nfs/dbraw/zinc/50/15/05/947501505.db2.gz VDJFVMHLBUZMLE-INIZCTEOSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001324675243 947501513 /nfs/dbraw/zinc/50/15/13/947501513.db2.gz VDJFVMHLBUZMLE-INIZCTEOSA-N 2 2 304.394 0.422 20 30 DCEDLP C=CCN1C(=O)C[C@@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273785744 948093350 /nfs/dbraw/zinc/09/33/50/948093350.db2.gz XHDWVEXFTMOVOZ-MRXNPFEDSA-N 2 2 302.378 0.910 20 30 DCEDLP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273785744 948093359 /nfs/dbraw/zinc/09/33/59/948093359.db2.gz XHDWVEXFTMOVOZ-MRXNPFEDSA-N 2 2 302.378 0.910 20 30 DCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC001326782751 948276163 /nfs/dbraw/zinc/27/61/63/948276163.db2.gz AFRXKTTYBVFHLF-MRXNPFEDSA-N 3 2 321.469 0.682 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001263821016 948766037 /nfs/dbraw/zinc/76/60/37/948766037.db2.gz KYLSSDAFERMHQX-JKSUJKDBSA-N 2 2 307.438 0.511 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001263821016 948766046 /nfs/dbraw/zinc/76/60/46/948766046.db2.gz KYLSSDAFERMHQX-JKSUJKDBSA-N 2 2 307.438 0.511 20 30 DCEDLP C=C(C)C[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001328559174 948963554 /nfs/dbraw/zinc/96/35/54/948963554.db2.gz TZLWNDZBASRVOX-UHFFFAOYSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265436391 949682480 /nfs/dbraw/zinc/68/24/80/949682480.db2.gz DPHFLVQUNWZDRQ-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265593158 949805396 /nfs/dbraw/zinc/80/53/96/949805396.db2.gz QNPXZKOKTFLGGN-AWEZNQCLSA-N 2 2 304.394 0.430 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265593158 949805418 /nfs/dbraw/zinc/80/54/18/949805418.db2.gz QNPXZKOKTFLGGN-AWEZNQCLSA-N 2 2 304.394 0.430 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330020727 950061482 /nfs/dbraw/zinc/06/14/82/950061482.db2.gz IWWRCTXAYBQMAE-BBRMVZONSA-N 2 2 324.469 0.311 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330169635 950167354 /nfs/dbraw/zinc/16/73/54/950167354.db2.gz BIIGCFLTBIIRNO-GOSISDBHSA-N 2 2 319.449 0.799 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330169635 950167363 /nfs/dbraw/zinc/16/73/63/950167363.db2.gz BIIGCFLTBIIRNO-GOSISDBHSA-N 2 2 319.449 0.799 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C#N ZINC001330225109 950211850 /nfs/dbraw/zinc/21/18/50/950211850.db2.gz MDQRGUDTTAYBMG-SNVBAGLBSA-N 2 2 315.381 0.974 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C#N ZINC001330225109 950211868 /nfs/dbraw/zinc/21/18/68/950211868.db2.gz MDQRGUDTTAYBMG-SNVBAGLBSA-N 2 2 315.381 0.974 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)C1=O ZINC001266191829 950454263 /nfs/dbraw/zinc/45/42/63/950454263.db2.gz KSDDLNPFCWHJOK-KBPBESRZSA-N 2 2 319.409 0.154 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281633873 951567493 /nfs/dbraw/zinc/56/74/93/951567493.db2.gz CXWVBSQKGPJIGC-AWEZNQCLSA-N 2 2 318.421 0.555 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281633873 951567501 /nfs/dbraw/zinc/56/75/01/951567501.db2.gz CXWVBSQKGPJIGC-AWEZNQCLSA-N 2 2 318.421 0.555 20 30 DCEDLP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001281645083 951575063 /nfs/dbraw/zinc/57/50/63/951575063.db2.gz UACSBWSNRGZRTC-UHFFFAOYSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCOCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001274565357 951701826 /nfs/dbraw/zinc/70/18/26/951701826.db2.gz KOGYCYYELWPYTF-UHFFFAOYSA-N 2 2 322.409 0.098 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336002768 952630809 /nfs/dbraw/zinc/63/08/09/952630809.db2.gz NHFNCMFFEUPWDD-UHFFFAOYSA-N 3 2 309.458 0.359 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001284430335 955086842 /nfs/dbraw/zinc/08/68/42/955086842.db2.gz QOEUBMLNGQKLNA-KBPBESRZSA-N 2 2 306.410 0.431 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCC[N@H+]2CC)CC1 ZINC001300686295 956464977 /nfs/dbraw/zinc/46/49/77/956464977.db2.gz ZUGXCZTZMLAGOZ-MRXNPFEDSA-N 2 2 316.453 0.826 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001300686295 956464984 /nfs/dbraw/zinc/46/49/84/956464984.db2.gz ZUGXCZTZMLAGOZ-MRXNPFEDSA-N 2 2 316.453 0.826 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001367596394 958146113 /nfs/dbraw/zinc/14/61/13/958146113.db2.gz FXBWYXWFWWGKPM-NEPJUHHUSA-N 2 2 312.801 0.265 20 30 DCEDLP N#Cc1cccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001392430379 991920265 /nfs/dbraw/zinc/92/02/65/991920265.db2.gz QTTFLOBEOMNXGT-OAHLLOKOSA-N 2 2 313.361 0.022 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001502878891 1016114481 /nfs/dbraw/zinc/11/44/81/1016114481.db2.gz XJVSSWZXYFOJCR-UHFFFAOYSA-N 2 2 318.421 0.319 20 30 DCEDLP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001505388641 1016205889 /nfs/dbraw/zinc/20/58/89/1016205889.db2.gz UETITBGHBJZESB-ZIAGYGMSSA-N 2 2 316.405 0.100 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001442025028 1008827515 /nfs/dbraw/zinc/82/75/15/1008827515.db2.gz QUHVVWUURBZINO-CYBMUJFWSA-N 2 2 314.817 0.514 20 30 DCEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001422581196 1010343710 /nfs/dbraw/zinc/34/37/10/1010343710.db2.gz YRWYCLBSPXDRJW-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001422581196 1010343726 /nfs/dbraw/zinc/34/37/26/1010343726.db2.gz YRWYCLBSPXDRJW-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139692 1020012980 /nfs/dbraw/zinc/01/29/80/1020012980.db2.gz CGHFCDMGWRBGGY-HUUCEWRRSA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139692 1020012992 /nfs/dbraw/zinc/01/29/92/1020012992.db2.gz CGHFCDMGWRBGGY-HUUCEWRRSA-N 2 2 300.406 0.859 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001494329748 1020133982 /nfs/dbraw/zinc/13/39/82/1020133982.db2.gz RYHBZIVBPGUSHD-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001494329748 1020133987 /nfs/dbraw/zinc/13/39/87/1020133987.db2.gz RYHBZIVBPGUSHD-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001494329748 1020133996 /nfs/dbraw/zinc/13/39/96/1020133996.db2.gz RYHBZIVBPGUSHD-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001494329748 1020134004 /nfs/dbraw/zinc/13/40/04/1020134004.db2.gz RYHBZIVBPGUSHD-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001660939180 1174071482 /nfs/dbraw/zinc/07/14/82/1174071482.db2.gz SGWRBELPKPGOMK-UHFFFAOYSA-N 2 2 306.454 0.085 20 30 DCEDLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)[C@H]2C1 ZINC000566243656 291287045 /nfs/dbraw/zinc/28/70/45/291287045.db2.gz XEGZDZZNYSVPTL-NFAWXSAZSA-N 2 2 300.410 0.822 20 30 DCEDLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)[C@H]2C1 ZINC000566243656 291287049 /nfs/dbraw/zinc/28/70/49/291287049.db2.gz XEGZDZZNYSVPTL-NFAWXSAZSA-N 2 2 300.410 0.822 20 30 DCEDLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CNc4c(C#N)cnn4C3)[C@H]2C1 ZINC000566243656 291287052 /nfs/dbraw/zinc/28/70/52/291287052.db2.gz XEGZDZZNYSVPTL-NFAWXSAZSA-N 2 2 300.410 0.822 20 30 DCEDLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CNc4c(C#N)cnn4C3)[C@H]2C1 ZINC000566243656 291287055 /nfs/dbraw/zinc/28/70/55/291287055.db2.gz XEGZDZZNYSVPTL-NFAWXSAZSA-N 2 2 300.410 0.822 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000491210415 241109584 /nfs/dbraw/zinc/10/95/84/241109584.db2.gz UAEWDLMRDQJDDJ-INIZCTEOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000491210415 241109590 /nfs/dbraw/zinc/10/95/90/241109590.db2.gz UAEWDLMRDQJDDJ-INIZCTEOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[NH+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000491252306 241112095 /nfs/dbraw/zinc/11/20/95/241112095.db2.gz HGSIDFFFQAZOSV-QGZVFWFLSA-N 2 2 318.421 0.111 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H](OCC)C23CCC3)CC1 ZINC000491376214 241121696 /nfs/dbraw/zinc/12/16/96/241121696.db2.gz ZDMAVUINQGDMAZ-HOTGVXAUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C)(OCC)CC2)CC1 ZINC000491316745 241116422 /nfs/dbraw/zinc/11/64/22/241116422.db2.gz XKOMVWMKTLPLDJ-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C=C(C)COCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000090451167 395718735 /nfs/dbraw/zinc/71/87/35/395718735.db2.gz HAWOQDSUMAYZTI-UHFFFAOYSA-N 2 2 311.470 0.965 20 30 DCEDLP C=C(C)COCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000090451167 395718737 /nfs/dbraw/zinc/71/87/37/395718737.db2.gz HAWOQDSUMAYZTI-UHFFFAOYSA-N 2 2 311.470 0.965 20 30 DCEDLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000281736169 396236016 /nfs/dbraw/zinc/23/60/16/396236016.db2.gz QFAGCYOBLLSRLM-OAHLLOKOSA-N 2 2 316.405 0.996 20 30 DCEDLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000281736169 396236021 /nfs/dbraw/zinc/23/60/21/396236021.db2.gz QFAGCYOBLLSRLM-OAHLLOKOSA-N 2 2 316.405 0.996 20 30 DCEDLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131812 396532033 /nfs/dbraw/zinc/53/20/33/396532033.db2.gz ITBYKLLFPSQRGY-JKSUJKDBSA-N 2 2 316.405 0.861 20 30 DCEDLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131812 396532035 /nfs/dbraw/zinc/53/20/35/396532035.db2.gz ITBYKLLFPSQRGY-JKSUJKDBSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131812 396532038 /nfs/dbraw/zinc/53/20/38/396532038.db2.gz ITBYKLLFPSQRGY-JKSUJKDBSA-N 2 2 316.405 0.861 20 30 DCEDLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC1 ZINC000292131812 396532040 /nfs/dbraw/zinc/53/20/40/396532040.db2.gz ITBYKLLFPSQRGY-JKSUJKDBSA-N 2 2 316.405 0.861 20 30 DCEDLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N(C)CCC#N ZINC000596046786 396711416 /nfs/dbraw/zinc/71/14/16/396711416.db2.gz MQXQEVIUQFOXHU-HIFRSBDPSA-N 2 2 308.426 0.590 20 30 DCEDLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000345039634 397009621 /nfs/dbraw/zinc/00/96/21/397009621.db2.gz YCJGKUCSTHZRTM-CYBMUJFWSA-N 2 2 308.426 0.638 20 30 DCEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSCC#N)CC2)CC1 ZINC000050798783 415312824 /nfs/dbraw/zinc/31/28/24/415312824.db2.gz BINRDUAANGQINY-UHFFFAOYSA-N 2 2 310.467 0.918 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ncnn1C ZINC000091186468 415536790 /nfs/dbraw/zinc/53/67/90/415536790.db2.gz DCOHCEUDECEBPS-UHFFFAOYSA-N 2 2 309.418 0.318 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ncnn1C ZINC000091186468 415536798 /nfs/dbraw/zinc/53/67/98/415536798.db2.gz DCOHCEUDECEBPS-UHFFFAOYSA-N 2 2 309.418 0.318 20 30 DCEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000104156428 415622661 /nfs/dbraw/zinc/62/26/61/415622661.db2.gz KTRCIIPBCYRGFE-HNNXBMFYSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000296463653 415928869 /nfs/dbraw/zinc/92/88/69/415928869.db2.gz LEISKFNRXFIGCX-HNNXBMFYSA-N 2 2 315.421 0.915 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000296463653 415928872 /nfs/dbraw/zinc/92/88/72/415928872.db2.gz LEISKFNRXFIGCX-HNNXBMFYSA-N 2 2 315.421 0.915 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000170866926 416036182 /nfs/dbraw/zinc/03/61/82/416036182.db2.gz NLJVRGRHBYKGFY-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000170866926 416036185 /nfs/dbraw/zinc/03/61/85/416036185.db2.gz 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CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530277 665312877 /nfs/dbraw/zinc/31/28/77/665312877.db2.gz KCVCDMJTPAGUOK-XJADACSNSA-N 2 2 315.417 0.158 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001032530277 665312879 /nfs/dbraw/zinc/31/28/79/665312879.db2.gz KCVCDMJTPAGUOK-XJADACSNSA-N 2 2 315.417 0.158 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001032530277 665312882 /nfs/dbraw/zinc/31/28/82/665312882.db2.gz KCVCDMJTPAGUOK-XJADACSNSA-N 2 2 315.417 0.158 20 30 DCEDLP C=CCC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509753 666008611 /nfs/dbraw/zinc/00/86/11/666008611.db2.gz VMWBXJVSJFHHFK-UHFFFAOYSA-N 2 2 317.437 0.678 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567572 666020601 /nfs/dbraw/zinc/02/06/01/666020601.db2.gz XOLKJRQGQCHMJL-MRXNPFEDSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567572 666020602 /nfs/dbraw/zinc/02/06/02/666020602.db2.gz XOLKJRQGQCHMJL-MRXNPFEDSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccon1 ZINC001034962003 667203661 /nfs/dbraw/zinc/20/36/61/667203661.db2.gz CZKDCMWLFZFMCQ-CVEARBPZSA-N 2 2 316.405 0.853 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccon1 ZINC001034962003 667203662 /nfs/dbraw/zinc/20/36/62/667203662.db2.gz CZKDCMWLFZFMCQ-CVEARBPZSA-N 2 2 316.405 0.853 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035417537 667338498 /nfs/dbraw/zinc/33/84/98/667338498.db2.gz VMUWVCICLHCWOK-HNNXBMFYSA-N 2 2 307.438 0.865 20 30 DCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035417537 667338500 /nfs/dbraw/zinc/33/85/00/667338500.db2.gz VMUWVCICLHCWOK-HNNXBMFYSA-N 2 2 307.438 0.865 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC=C)CCO2)CC1 ZINC001035615371 667393450 /nfs/dbraw/zinc/39/34/50/667393450.db2.gz VFITUOQWJROFNC-INIZCTEOSA-N 2 2 305.422 0.335 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC=C)CCO2)CC1 ZINC001035615371 667393451 /nfs/dbraw/zinc/39/34/51/667393451.db2.gz VFITUOQWJROFNC-INIZCTEOSA-N 2 2 305.422 0.335 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000884195413 667495027 /nfs/dbraw/zinc/49/50/27/667495027.db2.gz LWBQXHUKMBFWHY-KGLIPLIRSA-N 2 2 309.410 0.520 20 30 DCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000923413969 667529852 /nfs/dbraw/zinc/52/98/52/667529852.db2.gz SLSNVDDIMXDEGM-INIZCTEOSA-N 2 2 319.405 0.344 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000884394394 667536512 /nfs/dbraw/zinc/53/65/12/667536512.db2.gz DZHOFAWUAMWQMX-CABCVRRESA-N 2 2 323.437 0.671 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884401464 667538402 /nfs/dbraw/zinc/53/84/02/667538402.db2.gz QPVRAFZQATUKCY-ISXOHVOVSA-N 3 2 321.469 0.125 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884401464 667538404 /nfs/dbraw/zinc/53/84/04/667538404.db2.gz QPVRAFZQATUKCY-ISXOHVOVSA-N 3 2 321.469 0.125 20 30 DCEDLP C#CCOCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000753382533 668030023 /nfs/dbraw/zinc/03/00/23/668030023.db2.gz JUZHPYOSNUSIPB-UHFFFAOYSA-N 2 2 310.442 0.304 20 30 DCEDLP C#CCOCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000753382533 668030024 /nfs/dbraw/zinc/03/00/24/668030024.db2.gz JUZHPYOSNUSIPB-UHFFFAOYSA-N 2 2 310.442 0.304 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000876900434 668531466 /nfs/dbraw/zinc/53/14/66/668531466.db2.gz ZSFIQJWZUNSHSA-NWDGAFQWSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000876900434 668531468 /nfs/dbraw/zinc/53/14/68/668531468.db2.gz ZSFIQJWZUNSHSA-NWDGAFQWSA-N 2 2 317.817 0.552 20 30 DCEDLP C=CC[C@@H](C(=O)OC)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000878338371 668715718 /nfs/dbraw/zinc/71/57/18/668715718.db2.gz QYLFOPNPABZULM-AWEZNQCLSA-N 2 2 312.410 0.263 20 30 DCEDLP C#CCC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000798412506 670003231 /nfs/dbraw/zinc/00/32/31/670003231.db2.gz DAVKKDWCPNLXDK-HOCLYGCPSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CCC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000798412506 670003235 /nfs/dbraw/zinc/00/32/35/670003235.db2.gz DAVKKDWCPNLXDK-HOCLYGCPSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036883011 670261579 /nfs/dbraw/zinc/26/15/79/670261579.db2.gz VRAORZBJNXFNRL-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001036883011 670261581 /nfs/dbraw/zinc/26/15/81/670261581.db2.gz VRAORZBJNXFNRL-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]NC[C@H]3CCSC3)cn2)CC1 ZINC000811659280 670541219 /nfs/dbraw/zinc/54/12/19/670541219.db2.gz QIWUDFZOHOPNGG-CYBMUJFWSA-N 2 2 320.466 0.905 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000855415208 670710263 /nfs/dbraw/zinc/71/02/63/670710263.db2.gz UTIVMQFJDUOOEK-MRXNPFEDSA-N 2 2 318.421 0.591 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000855415208 670710267 /nfs/dbraw/zinc/71/02/67/670710267.db2.gz UTIVMQFJDUOOEK-MRXNPFEDSA-N 2 2 318.421 0.591 20 30 DCEDLP C[NH+]=C(NCCCCn1cc[nH+]c1)NCCN1CCOCC1 ZINC000848995504 670747030 /nfs/dbraw/zinc/74/70/30/670747030.db2.gz NLJOEXXZMKUPIJ-UHFFFAOYSA-N 2 2 308.430 0.161 20 30 DCEDLP CCC(CC)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCOCC1 ZINC000834490385 671764473 /nfs/dbraw/zinc/76/44/73/671764473.db2.gz UTWNCMCKAGCZIY-RBSFLKMASA-N 2 2 308.426 0.351 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000962721385 688970889 /nfs/dbraw/zinc/97/08/89/688970889.db2.gz OZBXZTDNOVSZLS-HALDLXJZSA-N 2 2 315.442 0.786 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCc2sccc2C1 ZINC000962721385 688970893 /nfs/dbraw/zinc/97/08/93/688970893.db2.gz OZBXZTDNOVSZLS-HALDLXJZSA-N 2 2 315.442 0.786 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCc2sccc2C1 ZINC000962721385 688970896 /nfs/dbraw/zinc/97/08/96/688970896.db2.gz OZBXZTDNOVSZLS-HALDLXJZSA-N 2 2 315.442 0.786 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCc2sccc2C1 ZINC000962721385 688970899 /nfs/dbraw/zinc/97/08/99/688970899.db2.gz OZBXZTDNOVSZLS-HALDLXJZSA-N 2 2 315.442 0.786 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014492739 692030589 /nfs/dbraw/zinc/03/05/89/692030589.db2.gz IQODTVHSOYUYOB-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014492739 692030595 /nfs/dbraw/zinc/03/05/95/692030595.db2.gz IQODTVHSOYUYOB-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001019192702 693383299 /nfs/dbraw/zinc/38/32/99/693383299.db2.gz NUDCEANBNZQNTR-JKSUJKDBSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001019192702 693383304 /nfs/dbraw/zinc/38/33/04/693383304.db2.gz NUDCEANBNZQNTR-JKSUJKDBSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001073466057 694729637 /nfs/dbraw/zinc/72/96/37/694729637.db2.gz XKWIPPPNYQCSLF-INIZCTEOSA-N 2 2 312.417 0.852 20 30 DCEDLP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](c3cccnc3)[NH+](C)C)C2)C1 ZINC001073466057 694729638 /nfs/dbraw/zinc/72/96/38/694729638.db2.gz XKWIPPPNYQCSLF-INIZCTEOSA-N 2 2 312.417 0.852 20 30 DCEDLP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001570564658 1162544583 /nfs/dbraw/zinc/54/45/83/1162544583.db2.gz GVFUCKQLVFZJDX-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001571395089 1162731258 /nfs/dbraw/zinc/73/12/58/1162731258.db2.gz YVSAWWXIFJEWSZ-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571545618 1162803372 /nfs/dbraw/zinc/80/33/72/1162803372.db2.gz FADIKAPZDXKMDH-QWHCGFSZSA-N 2 2 319.409 0.129 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691506881 1158118661 /nfs/dbraw/zinc/11/86/61/1158118661.db2.gz ZANLQBUUQAJRBS-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001752944103 1158823045 /nfs/dbraw/zinc/82/30/45/1158823045.db2.gz RTLMPFVMBVPBGU-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001565867523 1159917309 /nfs/dbraw/zinc/91/73/09/1159917309.db2.gz VEYIUWKGFCDHPB-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001566924786 1160187602 /nfs/dbraw/zinc/18/76/02/1160187602.db2.gz USSPTCJHKRLYAC-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001566924786 1160187605 /nfs/dbraw/zinc/18/76/05/1160187605.db2.gz USSPTCJHKRLYAC-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001568176369 1160591825 /nfs/dbraw/zinc/59/18/25/1160591825.db2.gz GLPZDPZWHCLLKL-JSGCOSHPSA-N 2 2 319.409 0.318 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001568176369 1160591832 /nfs/dbraw/zinc/59/18/32/1160591832.db2.gz GLPZDPZWHCLLKL-JSGCOSHPSA-N 2 2 319.409 0.318 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001568370826 1160636942 /nfs/dbraw/zinc/63/69/42/1160636942.db2.gz VWQAIHWBTQSSKF-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1nncn1C ZINC001568997379 1160912909 /nfs/dbraw/zinc/91/29/09/1160912909.db2.gz AXZBRJQXTLGXHC-MCIONIFRSA-N 2 2 318.425 0.068 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1nncn1C ZINC001568997379 1160912920 /nfs/dbraw/zinc/91/29/20/1160912920.db2.gz AXZBRJQXTLGXHC-MCIONIFRSA-N 2 2 318.425 0.068 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnon2)CC1 ZINC001569038079 1160924626 /nfs/dbraw/zinc/92/46/26/1160924626.db2.gz GXUYOBJSEAKHBN-GFCCVEGCSA-N 2 2 305.382 0.009 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753319 1161224018 /nfs/dbraw/zinc/22/40/18/1161224018.db2.gz WVDCREUXXOUXMB-XJKSGUPXSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753319 1161224027 /nfs/dbraw/zinc/22/40/27/1161224027.db2.gz WVDCREUXXOUXMB-XJKSGUPXSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753316 1161225426 /nfs/dbraw/zinc/22/54/26/1161225426.db2.gz WVDCREUXXOUXMB-BBRMVZONSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753316 1161225429 /nfs/dbraw/zinc/22/54/29/1161225429.db2.gz WVDCREUXXOUXMB-BBRMVZONSA-N 2 2 304.394 0.185 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001569787011 1161247200 /nfs/dbraw/zinc/24/72/00/1161247200.db2.gz ZBMYIXMTCBMPJL-HUUCEWRRSA-N 2 2 309.454 0.846 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001570359104 1161580260 /nfs/dbraw/zinc/58/02/60/1161580260.db2.gz PLGQYTFDRRCPTN-ZFWWWQNUSA-N 2 2 306.410 0.602 20 30 DCEDLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC001645705289 1172108569 /nfs/dbraw/zinc/10/85/69/1172108569.db2.gz LVBBEYNJBDDTNI-UHFFFAOYSA-N 2 2 312.417 0.974 20 30 DCEDLP N#Cc1ccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1F ZINC001646540053 1172418011 /nfs/dbraw/zinc/41/80/11/1172418011.db2.gz VDTGTCXVXHMRKD-UHFFFAOYSA-N 2 2 319.384 0.920 20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001660313419 1173975684 /nfs/dbraw/zinc/97/56/84/1173975684.db2.gz LLIMBVKDAAXKQU-AWEZNQCLSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001660313419 1173975692 /nfs/dbraw/zinc/97/56/92/1173975692.db2.gz LLIMBVKDAAXKQU-AWEZNQCLSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[NH+](CCCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001660909415 1174064732 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C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nonc2C)CC1 ZINC001664392013 1174429821 /nfs/dbraw/zinc/42/98/21/1174429821.db2.gz WEPSRSWCJQFMKA-UHFFFAOYSA-N 2 2 319.409 0.271 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001664818871 1174464733 /nfs/dbraw/zinc/46/47/33/1174464733.db2.gz XICXJKVKMLFCFT-HUUCEWRRSA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001664818871 1174464735 /nfs/dbraw/zinc/46/47/35/1174464735.db2.gz XICXJKVKMLFCFT-HUUCEWRRSA-N 2 2 300.406 0.859 20 30 DCEDLP C=C(C)CC[NH+]1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001672147539 1175084958 /nfs/dbraw/zinc/08/49/58/1175084958.db2.gz XKYYLJNMLZWDRI-UHFFFAOYSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001673318289 1175190382 /nfs/dbraw/zinc/19/03/82/1175190382.db2.gz SXHIYJCTMJXCLW-RRFJBIMHSA-N 2 2 316.405 0.364 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001674996721 1175315784 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2 319.449 0.866 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(=C)C)C[C@H]1OC ZINC001081810078 756818258 /nfs/dbraw/zinc/81/82/58/756818258.db2.gz HASAIWKLQJAHSW-IXDOHACOSA-N 2 2 319.449 0.866 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083105103 757498146 /nfs/dbraw/zinc/49/81/46/757498146.db2.gz JLVDIHUFUDBBHQ-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083105103 757498150 /nfs/dbraw/zinc/49/81/50/757498150.db2.gz JLVDIHUFUDBBHQ-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105103 757498152 /nfs/dbraw/zinc/49/81/52/757498152.db2.gz JLVDIHUFUDBBHQ-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105103 757498156 /nfs/dbraw/zinc/49/81/56/757498156.db2.gz JLVDIHUFUDBBHQ-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCF)[C@H]2C1 ZINC001084961206 758141931 /nfs/dbraw/zinc/14/19/31/758141931.db2.gz SEBUONIDHXUQGN-PMPSAXMXSA-N 2 2 307.413 0.976 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCF)[C@H]2C1 ZINC001084961206 758141939 /nfs/dbraw/zinc/14/19/39/758141939.db2.gz SEBUONIDHXUQGN-PMPSAXMXSA-N 2 2 307.413 0.976 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCF)[C@H]2C1 ZINC001084961206 758141947 /nfs/dbraw/zinc/14/19/47/758141947.db2.gz SEBUONIDHXUQGN-PMPSAXMXSA-N 2 2 307.413 0.976 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCF)[C@H]2C1 ZINC001084961206 758141959 /nfs/dbraw/zinc/14/19/59/758141959.db2.gz SEBUONIDHXUQGN-PMPSAXMXSA-N 2 2 307.413 0.976 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781645 759305022 /nfs/dbraw/zinc/30/50/22/759305022.db2.gz AZDWPNFWFFVLBN-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781645 759305032 /nfs/dbraw/zinc/30/50/32/759305032.db2.gz AZDWPNFWFFVLBN-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781645 759305038 /nfs/dbraw/zinc/30/50/38/759305038.db2.gz AZDWPNFWFFVLBN-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085781645 759305046 /nfs/dbraw/zinc/30/50/46/759305046.db2.gz AZDWPNFWFFVLBN-HOTGVXAUSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445139 760267419 /nfs/dbraw/zinc/26/74/19/760267419.db2.gz LJZVCPNRQIVMEF-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445139 760267423 /nfs/dbraw/zinc/26/74/23/760267423.db2.gz LJZVCPNRQIVMEF-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580705 761468585 /nfs/dbraw/zinc/46/85/85/761468585.db2.gz SBJGYTRGKBMNGO-PMPSAXMXSA-N 2 2 316.405 0.645 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580705 761468590 /nfs/dbraw/zinc/46/85/90/761468590.db2.gz SBJGYTRGKBMNGO-PMPSAXMXSA-N 2 2 316.405 0.645 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139282 761667180 /nfs/dbraw/zinc/66/71/80/761667180.db2.gz OLSLSLYFHSPSRJ-GJZGRUSLSA-N 2 2 304.394 0.238 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139282 761667187 /nfs/dbraw/zinc/66/71/87/761667187.db2.gz OLSLSLYFHSPSRJ-GJZGRUSLSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161375 761672713 /nfs/dbraw/zinc/67/27/13/761672713.db2.gz IWTHPXFNCPNBTC-RHSMWYFYSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071161375 761672717 /nfs/dbraw/zinc/67/27/17/761672717.db2.gz IWTHPXFNCPNBTC-RHSMWYFYSA-N 2 2 316.405 0.667 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099121306 762814441 /nfs/dbraw/zinc/81/44/41/762814441.db2.gz VVCXYPOAFDKPFA-YOEHRIQHSA-N 2 2 300.406 0.957 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099121306 762814450 /nfs/dbraw/zinc/81/44/50/762814450.db2.gz VVCXYPOAFDKPFA-YOEHRIQHSA-N 2 2 300.406 0.957 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804247 763050657 /nfs/dbraw/zinc/05/06/57/763050657.db2.gz KJYPSMRWSOFSKA-ZIAGYGMSSA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099804247 763050662 /nfs/dbraw/zinc/05/06/62/763050662.db2.gz KJYPSMRWSOFSKA-ZIAGYGMSSA-N 2 2 322.409 0.096 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879613 763096416 /nfs/dbraw/zinc/09/64/16/763096416.db2.gz MYOVBRGDEHJNBM-KGLIPLIRSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879613 763096426 /nfs/dbraw/zinc/09/64/26/763096426.db2.gz MYOVBRGDEHJNBM-KGLIPLIRSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879613 763096428 /nfs/dbraw/zinc/09/64/28/763096428.db2.gz MYOVBRGDEHJNBM-KGLIPLIRSA-N 2 2 315.845 0.775 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cnn(C)c1 ZINC001086999357 768113332 /nfs/dbraw/zinc/11/33/32/768113332.db2.gz BWUFYEAZRAQMES-LSDHHAIUSA-N 2 2 314.393 0.456 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cnn(C)c1 ZINC001087012278 768118972 /nfs/dbraw/zinc/11/89/72/768118972.db2.gz OUKFUDMPEIIMQG-LSDHHAIUSA-N 2 2 314.393 0.387 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001130439892 763317746 /nfs/dbraw/zinc/31/77/46/763317746.db2.gz XPSSESGVUMNUTD-GFCCVEGCSA-N 2 2 314.393 0.967 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001130439892 763317754 /nfs/dbraw/zinc/31/77/54/763317754.db2.gz XPSSESGVUMNUTD-GFCCVEGCSA-N 2 2 314.393 0.967 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795069 768136731 /nfs/dbraw/zinc/13/67/31/768136731.db2.gz IROSZLIRFQACMM-RKVPGOIHSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC001091795069 768136737 /nfs/dbraw/zinc/13/67/37/768136737.db2.gz IROSZLIRFQACMM-RKVPGOIHSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519199 764487124 /nfs/dbraw/zinc/48/71/24/764487124.db2.gz UXPSZZZJTOBWIP-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC[C@@H]1C ZINC001132519199 764487128 /nfs/dbraw/zinc/48/71/28/764487128.db2.gz UXPSZZZJTOBWIP-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519199 764487131 /nfs/dbraw/zinc/48/71/31/764487131.db2.gz UXPSZZZJTOBWIP-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132519199 764487135 /nfs/dbraw/zinc/48/71/35/764487135.db2.gz UXPSZZZJTOBWIP-LSDHHAIUSA-N 2 2 322.453 0.045 20 30 DCEDLP N#CCOc1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001134406785 765508506 /nfs/dbraw/zinc/50/85/06/765508506.db2.gz AXHPDBHCDHIASG-UHFFFAOYSA-N 2 2 313.361 0.761 20 30 DCEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522632 768328972 /nfs/dbraw/zinc/32/89/72/768328972.db2.gz RSNDRRMOASMPFP-MRVWCRGKSA-N 2 2 315.845 0.754 20 30 DCEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522632 768328980 /nfs/dbraw/zinc/32/89/80/768328980.db2.gz RSNDRRMOASMPFP-MRVWCRGKSA-N 2 2 315.845 0.754 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092522632 768328985 /nfs/dbraw/zinc/32/89/85/768328985.db2.gz RSNDRRMOASMPFP-MRVWCRGKSA-N 2 2 315.845 0.754 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092522632 768328995 /nfs/dbraw/zinc/32/89/95/768328995.db2.gz RSNDRRMOASMPFP-MRVWCRGKSA-N 2 2 315.845 0.754 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031947 766215246 /nfs/dbraw/zinc/21/52/46/766215246.db2.gz UAPDEDLQLXTGKM-NWDGAFQWSA-N 2 2 321.425 0.436 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248613 766947038 /nfs/dbraw/zinc/94/70/38/766947038.db2.gz IIDWXIUPCTWBNB-UHFFFAOYSA-N 2 2 318.421 0.942 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150823934 769195619 /nfs/dbraw/zinc/19/56/19/769195619.db2.gz DCFRMXTUKMQQOB-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150823934 769195620 /nfs/dbraw/zinc/19/56/20/769195620.db2.gz DCFRMXTUKMQQOB-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235300623 769798282 /nfs/dbraw/zinc/79/82/82/769798282.db2.gz ASQHALZUTDZTLF-CVEARBPZSA-N 2 2 317.437 0.369 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235300623 769798289 /nfs/dbraw/zinc/79/82/89/769798289.db2.gz ASQHALZUTDZTLF-CVEARBPZSA-N 2 2 317.437 0.369 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235300389 769799128 /nfs/dbraw/zinc/79/91/28/769799128.db2.gz AGAMJMYGNXHYLT-CVEARBPZSA-N 2 2 317.437 0.369 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235300389 769799129 /nfs/dbraw/zinc/79/91/29/769799129.db2.gz AGAMJMYGNXHYLT-CVEARBPZSA-N 2 2 317.437 0.369 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235335161 769816045 /nfs/dbraw/zinc/81/60/45/769816045.db2.gz KQFXMIVJADGGFG-GOEBONIOSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235335161 769816055 /nfs/dbraw/zinc/81/60/55/769816055.db2.gz KQFXMIVJADGGFG-GOEBONIOSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287230 771578147 /nfs/dbraw/zinc/57/81/47/771578147.db2.gz JRHPVNVPDQLFFS-CYBMUJFWSA-N 2 2 307.398 0.012 20 30 DCEDLP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157287230 771578151 /nfs/dbraw/zinc/57/81/51/771578151.db2.gz JRHPVNVPDQLFFS-CYBMUJFWSA-N 2 2 307.398 0.012 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001183732010 771695072 /nfs/dbraw/zinc/69/50/72/771695072.db2.gz XYGWLPHXILRHNE-HUUCEWRRSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC12CCOCC2 ZINC001186512482 772050763 /nfs/dbraw/zinc/05/07/63/772050763.db2.gz LLXNPOJMNMKMTA-AWEZNQCLSA-N 2 2 316.405 0.430 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)(COC)CC1 ZINC001162590128 772395040 /nfs/dbraw/zinc/39/50/40/772395040.db2.gz DSJWLUAXGOSWLF-UHFFFAOYSA-N 2 2 318.421 0.739 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC001206941659 773142920 /nfs/dbraw/zinc/14/29/20/773142920.db2.gz GEKJKJVRLUNRJD-QGZVFWFLSA-N 2 2 319.449 0.559 20 30 DCEDLP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153660 773155754 /nfs/dbraw/zinc/15/57/54/773155754.db2.gz GWDRJYWPCUNOLS-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001194153660 773155756 /nfs/dbraw/zinc/15/57/56/773155756.db2.gz GWDRJYWPCUNOLS-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP COCC#CC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196154090 773547411 /nfs/dbraw/zinc/54/74/11/773547411.db2.gz DXIMZXMEGNSFPD-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196154090 773547414 /nfs/dbraw/zinc/54/74/14/773547414.db2.gz DXIMZXMEGNSFPD-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149875 773704728 /nfs/dbraw/zinc/70/47/28/773704728.db2.gz JNHNQWYFLYKYMH-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149875 773704735 /nfs/dbraw/zinc/70/47/35/773704735.db2.gz JNHNQWYFLYKYMH-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001197149875 773704739 /nfs/dbraw/zinc/70/47/39/773704739.db2.gz JNHNQWYFLYKYMH-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001197149875 773704742 /nfs/dbraw/zinc/70/47/42/773704742.db2.gz JNHNQWYFLYKYMH-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217010371 774148957 /nfs/dbraw/zinc/14/89/57/774148957.db2.gz NWWSYNHXXSFHQZ-MGPQQGTHSA-N 2 2 319.409 0.010 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC001200843104 774415699 /nfs/dbraw/zinc/41/56/99/774415699.db2.gz XNRRAZMGOOVHOR-HUUCEWRRSA-N 2 2 316.405 0.286 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201952156 774586792 /nfs/dbraw/zinc/58/67/92/774586792.db2.gz ISXYRCXJKXATFM-AWEZNQCLSA-N 2 2 304.394 0.491 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052064 774681494 /nfs/dbraw/zinc/68/14/94/774681494.db2.gz QTMDNWSYFXWUHC-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052064 774681496 /nfs/dbraw/zinc/68/14/96/774681496.db2.gz QTMDNWSYFXWUHC-KGLIPLIRSA-N 2 2 306.410 0.480 20 30 DCEDLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N=C(NO)c1ccc(OC)cn1 ZINC001220377220 774787157 /nfs/dbraw/zinc/78/71/57/774787157.db2.gz OLMWOUAYKXYYST-LBPRGKRZSA-N 2 2 309.370 0.059 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631425 775162435 /nfs/dbraw/zinc/16/24/35/775162435.db2.gz PLWVPDNUJZXXBN-ZACQAIPSSA-N 2 2 321.465 0.755 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631425 775162437 /nfs/dbraw/zinc/16/24/37/775162437.db2.gz PLWVPDNUJZXXBN-ZACQAIPSSA-N 2 2 321.465 0.755 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001278112311 945141966 /nfs/dbraw/zinc/14/19/66/945141966.db2.gz JUNHOHPVCCCIOV-ZDUSSCGKSA-N 2 2 302.378 0.981 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266293177 939054322 /nfs/dbraw/zinc/05/43/22/939054322.db2.gz MIYXIZSSVPORRB-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266293177 939054324 /nfs/dbraw/zinc/05/43/24/939054324.db2.gz MIYXIZSSVPORRB-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)o1 ZINC001266728538 939222367 /nfs/dbraw/zinc/22/23/67/939222367.db2.gz AZQBKRRTGSBWJG-HNNXBMFYSA-N 2 2 304.394 0.629 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)o1 ZINC001266728538 939222370 /nfs/dbraw/zinc/22/23/70/939222370.db2.gz AZQBKRRTGSBWJG-HNNXBMFYSA-N 2 2 304.394 0.629 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001267066335 939329374 /nfs/dbraw/zinc/32/93/74/939329374.db2.gz CYVZFONDUGVQFW-OAHLLOKOSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267084861 939335357 /nfs/dbraw/zinc/33/53/57/939335357.db2.gz DWCOQLZIKHXAFW-HZPDHXFCSA-N 2 2 318.421 0.940 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267592225 939534553 /nfs/dbraw/zinc/53/45/53/939534553.db2.gz QCPUVCMYDAWVCB-CYBMUJFWSA-N 2 2 319.409 0.035 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267592225 939534555 /nfs/dbraw/zinc/53/45/55/939534555.db2.gz QCPUVCMYDAWVCB-CYBMUJFWSA-N 2 2 319.409 0.035 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001267618320 939590315 /nfs/dbraw/zinc/59/03/15/939590315.db2.gz LYWMRAJCLLLRBM-UHFFFAOYSA-N 2 2 320.481 0.428 20 30 DCEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496389045 939761762 /nfs/dbraw/zinc/76/17/62/939761762.db2.gz INTKVAGRHHXHQH-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496389045 939761765 /nfs/dbraw/zinc/76/17/65/939761765.db2.gz INTKVAGRHHXHQH-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268085626 939932053 /nfs/dbraw/zinc/93/20/53/939932053.db2.gz HUHRARCGTSIUQV-CABCVRRESA-N 2 2 306.410 0.921 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001482234227 940740019 /nfs/dbraw/zinc/74/00/19/940740019.db2.gz UXBMXMNGTOCHPY-UHFFFAOYSA-N 2 2 319.409 0.273 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482301348 940938557 /nfs/dbraw/zinc/93/85/57/940938557.db2.gz LDWBZNFDQMSMJP-GJZGRUSLSA-N 2 2 318.421 0.532 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001272081108 941598106 /nfs/dbraw/zinc/59/81/06/941598106.db2.gz YEPLHXLZQYRUHT-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001272081108 941598109 /nfs/dbraw/zinc/59/81/09/941598109.db2.gz YEPLHXLZQYRUHT-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482846929 941688635 /nfs/dbraw/zinc/68/86/35/941688635.db2.gz YFWVGVDPZBSQEV-LSDHHAIUSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001484676910 943508598 /nfs/dbraw/zinc/50/85/98/943508598.db2.gz GFZSFARCRTVNHM-HNNXBMFYSA-N 2 2 312.373 0.707 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484725619 943535993 /nfs/dbraw/zinc/53/59/93/943535993.db2.gz HSEMKHOTBBGSHP-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484725619 943535996 /nfs/dbraw/zinc/53/59/96/943535996.db2.gz HSEMKHOTBBGSHP-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001491236195 943855541 /nfs/dbraw/zinc/85/55/41/943855541.db2.gz IJUQHFOBXAOCBO-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001491236195 943855548 /nfs/dbraw/zinc/85/55/48/943855548.db2.gz IJUQHFOBXAOCBO-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP C=CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001485648229 944052034 /nfs/dbraw/zinc/05/20/34/944052034.db2.gz GZTZGSGZKRKTRC-HIFRSBDPSA-N 2 2 306.410 0.744 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001317066192 944770746 /nfs/dbraw/zinc/77/07/46/944770746.db2.gz GBZGWQSOKGECIF-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nncs2)CC1 ZINC001317293740 944902465 /nfs/dbraw/zinc/90/24/65/944902465.db2.gz HZTISJUTQRMGPW-LBPRGKRZSA-N 2 2 321.450 0.478 20 30 DCEDLP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317442129 944971993 /nfs/dbraw/zinc/97/19/93/944971993.db2.gz XQRMPGBCLPWVDO-QGZVFWFLSA-N 2 2 315.417 0.417 20 30 DCEDLP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001317442129 944971996 /nfs/dbraw/zinc/97/19/96/944971996.db2.gz XQRMPGBCLPWVDO-QGZVFWFLSA-N 2 2 315.417 0.417 20 30 DCEDLP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001317442129 944972002 /nfs/dbraw/zinc/97/20/02/944972002.db2.gz XQRMPGBCLPWVDO-QGZVFWFLSA-N 2 2 315.417 0.417 20 30 DCEDLP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001317442129 944972008 /nfs/dbraw/zinc/97/20/08/944972008.db2.gz XQRMPGBCLPWVDO-QGZVFWFLSA-N 2 2 315.417 0.417 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001277924991 945042273 /nfs/dbraw/zinc/04/22/73/945042273.db2.gz SKOQRMQBCYNNOI-DLBZAZTESA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001277924991 945042282 /nfs/dbraw/zinc/04/22/82/945042282.db2.gz SKOQRMQBCYNNOI-DLBZAZTESA-N 2 2 319.449 0.844 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001319206580 945520235 /nfs/dbraw/zinc/52/02/35/945520235.db2.gz DLIUKSPWGMUTPU-CABCVRRESA-N 2 2 318.421 0.437 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)n2cc[nH+]c2)c1C#N ZINC001319646209 945637361 /nfs/dbraw/zinc/63/73/61/945637361.db2.gz GBHBWGQFIMZYBV-SNVBAGLBSA-N 2 2 301.354 0.830 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001319711803 945650731 /nfs/dbraw/zinc/65/07/31/945650731.db2.gz HWWVNUDMCUIVKI-HOCLYGCPSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001252466227 945943342 /nfs/dbraw/zinc/94/33/42/945943342.db2.gz NPSTWRKRMIJSRH-HNNXBMFYSA-N 2 2 306.410 0.779 20 30 DCEDLP C=CCOC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001252472515 945946954 /nfs/dbraw/zinc/94/69/54/945946954.db2.gz VCWBNYPVTKXDAI-CQSZACIVSA-N 2 2 307.394 0.776 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001320651868 945963939 /nfs/dbraw/zinc/96/39/39/945963939.db2.gz HPPWGGBEJPIOOB-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CC[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252930890 946034581 /nfs/dbraw/zinc/03/45/81/946034581.db2.gz FJNMGVSACODPSE-IBGZPJMESA-N 2 2 313.445 0.874 20 30 DCEDLP C#CC[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252930890 946034592 /nfs/dbraw/zinc/03/45/92/946034592.db2.gz FJNMGVSACODPSE-IBGZPJMESA-N 2 2 313.445 0.874 20 30 DCEDLP C=CCO[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320859834 946043790 /nfs/dbraw/zinc/04/37/90/946043790.db2.gz XTEPNLOMLPUGKM-IRXDYDNUSA-N 2 2 310.438 0.901 20 30 DCEDLP C=CCO[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320859834 946043803 /nfs/dbraw/zinc/04/38/03/946043803.db2.gz XTEPNLOMLPUGKM-IRXDYDNUSA-N 2 2 310.438 0.901 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278787876 946397558 /nfs/dbraw/zinc/39/75/58/946397558.db2.gz XDPICMUNZJIICS-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001278787876 946397570 /nfs/dbraw/zinc/39/75/70/946397570.db2.gz XDPICMUNZJIICS-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278787876 946397583 /nfs/dbraw/zinc/39/75/83/946397583.db2.gz XDPICMUNZJIICS-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001278787876 946397596 /nfs/dbraw/zinc/39/75/96/946397596.db2.gz XDPICMUNZJIICS-IOASZLSFSA-N 2 2 304.394 0.642 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278865362 946497191 /nfs/dbraw/zinc/49/71/91/946497191.db2.gz WJLMNBGEXMQVAS-LSDHHAIUSA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001278865362 946497192 /nfs/dbraw/zinc/49/71/92/946497192.db2.gz WJLMNBGEXMQVAS-LSDHHAIUSA-N 2 2 320.437 0.773 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278865471 946499531 /nfs/dbraw/zinc/49/95/31/946499531.db2.gz YUZODROSBGLTDR-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001278865471 946499536 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DCEDLP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273884987 948659039 /nfs/dbraw/zinc/65/90/39/948659039.db2.gz MBSOGHNLRJWBNL-CABCVRRESA-N 2 2 318.421 0.685 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001263848321 948779859 /nfs/dbraw/zinc/77/98/59/948779859.db2.gz OXWMPQXTSGBSBY-UPJWGTAASA-N 2 2 319.409 0.127 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC001264535939 948996415 /nfs/dbraw/zinc/99/64/15/948996415.db2.gz CNNKPRXSTSBNBK-ZIAGYGMSSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001328879435 949165601 /nfs/dbraw/zinc/16/56/01/949165601.db2.gz GFKNPHAAVNPBJO-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)Cc2ccon2)CC1 ZINC001265073098 949277968 /nfs/dbraw/zinc/27/79/68/949277968.db2.gz PXJGZPGHOSHPKD-UHFFFAOYSA-N 2 2 318.421 0.958 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)Cc2ccon2)CC1 ZINC001265073098 949277989 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C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970323291 658859491 /nfs/dbraw/zinc/85/94/91/658859491.db2.gz KELGXWMQLFLCNX-PBHICJAKSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970323291 658859497 /nfs/dbraw/zinc/85/94/97/658859497.db2.gz KELGXWMQLFLCNX-PBHICJAKSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338697 658870361 /nfs/dbraw/zinc/87/03/61/658870361.db2.gz OKDAMZNGCNKLIS-TZMCWYRMSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)CC1(C)C ZINC000974683000 659620883 /nfs/dbraw/zinc/62/08/83/659620883.db2.gz ALFMDSRNBLJNON-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)CC1(C)C ZINC000974683000 659620885 /nfs/dbraw/zinc/62/08/85/659620885.db2.gz ALFMDSRNBLJNON-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)CC1(C)C ZINC000974683000 659620888 /nfs/dbraw/zinc/62/08/88/659620888.db2.gz ALFMDSRNBLJNON-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)CC1(C)C ZINC000974683000 659620890 /nfs/dbraw/zinc/62/08/90/659620890.db2.gz ALFMDSRNBLJNON-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP CC#CC[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000895097660 662088701 /nfs/dbraw/zinc/08/87/01/662088701.db2.gz VFWRTORESWWUFQ-KRWDZBQOSA-N 2 2 309.454 0.147 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000896568552 662293204 /nfs/dbraw/zinc/29/32/04/662293204.db2.gz NYDYFWQRZXDCIX-ZBFHGGJFSA-N 2 2 306.454 0.082 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000896568552 662293206 /nfs/dbraw/zinc/29/32/06/662293206.db2.gz NYDYFWQRZXDCIX-ZBFHGGJFSA-N 2 2 306.454 0.082 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000988874297 662869178 /nfs/dbraw/zinc/86/91/78/662869178.db2.gz JDZCOPGBZHJXMW-KGLIPLIRSA-N 2 2 300.406 0.974 20 30 DCEDLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC#CC[NH+](C)C)cc1 ZINC000913524166 664335416 /nfs/dbraw/zinc/33/54/16/664335416.db2.gz CGSXSHPNBBSQFL-KRWDZBQOSA-N 2 2 315.417 0.951 20 30 DCEDLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC#CC[NH+](C)C)cc1 ZINC000913524166 664335418 /nfs/dbraw/zinc/33/54/18/664335418.db2.gz CGSXSHPNBBSQFL-KRWDZBQOSA-N 2 2 315.417 0.951 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000491766642 664716240 /nfs/dbraw/zinc/71/62/40/664716240.db2.gz FWASLJJFGNXMPV-CABCVRRESA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000491766642 664716241 /nfs/dbraw/zinc/71/62/41/664716241.db2.gz FWASLJJFGNXMPV-CABCVRRESA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000491766642 664716242 /nfs/dbraw/zinc/71/62/42/664716242.db2.gz FWASLJJFGNXMPV-CABCVRRESA-N 2 2 308.426 0.056 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000732306160 664912469 /nfs/dbraw/zinc/91/24/69/664912469.db2.gz IWRFCDKOMAUIGI-KRWDZBQOSA-N 2 2 320.481 0.618 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC000732306160 664912470 /nfs/dbraw/zinc/91/24/70/664912470.db2.gz IWRFCDKOMAUIGI-KRWDZBQOSA-N 2 2 320.481 0.618 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688972 665289542 /nfs/dbraw/zinc/28/95/42/665289542.db2.gz OTKILLMXCIJDMH-KGLIPLIRSA-N 2 2 313.829 0.650 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001031688972 665289543 /nfs/dbraw/zinc/28/95/43/665289543.db2.gz OTKILLMXCIJDMH-KGLIPLIRSA-N 2 2 313.829 0.650 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000073446386 665342207 /nfs/dbraw/zinc/34/22/07/665342207.db2.gz VHEJKILBOGMKOF-UHFFFAOYSA-N 2 2 314.397 0.071 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941614536 666029702 /nfs/dbraw/zinc/02/97/02/666029702.db2.gz BUHWKIMYOCYTHJ-UHFFFAOYSA-N 2 2 320.481 0.733 20 30 DCEDLP C#CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668077 666040784 /nfs/dbraw/zinc/04/07/84/666040784.db2.gz FOZPGBWMKJKFIU-UHFFFAOYSA-N 2 2 315.421 0.043 20 30 DCEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668000 666040851 /nfs/dbraw/zinc/04/08/51/666040851.db2.gz AOWHHFGMUFTMPJ-UHFFFAOYSA-N 2 2 317.437 0.596 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033096559 666503404 /nfs/dbraw/zinc/50/34/04/666503404.db2.gz MXUOQTZGHWCQEC-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001033096559 666503405 /nfs/dbraw/zinc/50/34/05/666503405.db2.gz MXUOQTZGHWCQEC-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+]1CC[C@@H](N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001033096559 666503409 /nfs/dbraw/zinc/50/34/09/666503409.db2.gz MXUOQTZGHWCQEC-CZUORRHYSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000995976830 666725402 /nfs/dbraw/zinc/72/54/02/666725402.db2.gz FIOIVPJQVDQOBW-UKRRQHHQSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001035608210 667391363 /nfs/dbraw/zinc/39/13/63/667391363.db2.gz YZMOBGZDXLGNED-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001035608210 667391365 /nfs/dbraw/zinc/39/13/65/667391365.db2.gz YZMOBGZDXLGNED-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035608210 667391367 /nfs/dbraw/zinc/39/13/67/667391367.db2.gz YZMOBGZDXLGNED-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035608210 667391369 /nfs/dbraw/zinc/39/13/69/667391369.db2.gz YZMOBGZDXLGNED-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000884228995 667504887 /nfs/dbraw/zinc/50/48/87/667504887.db2.gz FEROEHVBOWOTNG-QLFBSQMISA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000884228995 667504890 /nfs/dbraw/zinc/50/48/90/667504890.db2.gz FEROEHVBOWOTNG-QLFBSQMISA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000884228995 667504894 /nfs/dbraw/zinc/50/48/94/667504894.db2.gz FEROEHVBOWOTNG-QLFBSQMISA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000884228995 667504897 /nfs/dbraw/zinc/50/48/97/667504897.db2.gz FEROEHVBOWOTNG-QLFBSQMISA-N 2 2 308.426 0.102 20 30 DCEDLP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000867972392 667522316 /nfs/dbraw/zinc/52/23/16/667522316.db2.gz ZAPHCBJWICOCHB-KBPBESRZSA-N 2 2 320.343 0.811 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000884335762 667526589 /nfs/dbraw/zinc/52/65/89/667526589.db2.gz BFDALSUTOLGQAH-HZSPNIEDSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000923557370 667563690 /nfs/dbraw/zinc/56/36/90/667563690.db2.gz MCFYUPAWYDBIJH-ASNKMWSDSA-N 2 2 305.422 0.479 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000923557370 667563692 /nfs/dbraw/zinc/56/36/92/667563692.db2.gz MCFYUPAWYDBIJH-ASNKMWSDSA-N 2 2 305.422 0.479 20 30 DCEDLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886267983 667750648 /nfs/dbraw/zinc/75/06/48/667750648.db2.gz YRXGQOYCFKRDLZ-CQSZACIVSA-N 2 2 308.426 0.137 20 30 DCEDLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1=O ZINC000886267983 667750650 /nfs/dbraw/zinc/75/06/50/667750650.db2.gz YRXGQOYCFKRDLZ-CQSZACIVSA-N 2 2 308.426 0.137 20 30 DCEDLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1C#N ZINC000749922985 667967007 /nfs/dbraw/zinc/96/70/07/667967007.db2.gz HBZCDAZKWNRZQH-UHFFFAOYSA-N 2 2 302.378 0.430 20 30 DCEDLP C#CCOc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000749923064 667967092 /nfs/dbraw/zinc/96/70/92/667967092.db2.gz IMCLKKPFHZZGKT-UHFFFAOYSA-N 2 2 301.390 0.562 20 30 DCEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000878867463 668943049 /nfs/dbraw/zinc/94/30/49/668943049.db2.gz FYLCWUMKFITBKA-IAGOWNOFSA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000878867463 668943054 /nfs/dbraw/zinc/94/30/54/668943054.db2.gz FYLCWUMKFITBKA-IAGOWNOFSA-N 2 2 303.406 0.980 20 30 DCEDLP C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000883416717 669683083 /nfs/dbraw/zinc/68/30/83/669683083.db2.gz CHGQLZUDCQBGKT-GJZGRUSLSA-N 2 2 324.469 0.781 20 30 DCEDLP C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000883416717 669683087 /nfs/dbraw/zinc/68/30/87/669683087.db2.gz CHGQLZUDCQBGKT-GJZGRUSLSA-N 2 2 324.469 0.781 20 30 DCEDLP C#CCC[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000798412499 670003212 /nfs/dbraw/zinc/00/32/12/670003212.db2.gz DAVKKDWCPNLXDK-GDBMZVCRSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CCC[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000798412499 670003215 /nfs/dbraw/zinc/00/32/15/670003215.db2.gz DAVKKDWCPNLXDK-GDBMZVCRSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC000949202013 670286678 /nfs/dbraw/zinc/28/66/78/670286678.db2.gz AWXUAZXMSORBFC-UHFFFAOYSA-N 2 2 302.378 0.279 20 30 DCEDLP C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000806843046 670332806 /nfs/dbraw/zinc/33/28/06/670332806.db2.gz CMYRGHUPRASAFA-INIZCTEOSA-N 2 2 312.417 0.961 20 30 DCEDLP C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000806843046 670332810 /nfs/dbraw/zinc/33/28/10/670332810.db2.gz CMYRGHUPRASAFA-INIZCTEOSA-N 2 2 312.417 0.961 20 30 DCEDLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368703 672177554 /nfs/dbraw/zinc/17/75/54/672177554.db2.gz TWRBMMGHLGEFNW-IAGOWNOFSA-N 2 2 303.406 0.980 20 30 DCEDLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368703 672177555 /nfs/dbraw/zinc/17/75/55/672177555.db2.gz TWRBMMGHLGEFNW-IAGOWNOFSA-N 2 2 303.406 0.980 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001020250741 693746058 /nfs/dbraw/zinc/74/60/58/693746058.db2.gz OGVQCBWBUOTORK-KKUMJFAQSA-N 2 2 302.378 0.509 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001020250741 693746061 /nfs/dbraw/zinc/74/60/61/693746061.db2.gz OGVQCBWBUOTORK-KKUMJFAQSA-N 2 2 302.378 0.509 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958070107 687324517 /nfs/dbraw/zinc/32/45/17/687324517.db2.gz WGYSKLJSDXKQGE-LSDHHAIUSA-N 2 2 312.373 0.298 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958070107 687324524 /nfs/dbraw/zinc/32/45/24/687324524.db2.gz WGYSKLJSDXKQGE-LSDHHAIUSA-N 2 2 312.373 0.298 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001570450009 1162522119 /nfs/dbraw/zinc/52/21/19/1162522119.db2.gz YBLYSTXNEKWINT-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001570450009 1162522127 /nfs/dbraw/zinc/52/21/27/1162522127.db2.gz YBLYSTXNEKWINT-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001570760166 1162615491 /nfs/dbraw/zinc/61/54/91/1162615491.db2.gz CEXQZTKYKHBJSR-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001570760166 1162615495 /nfs/dbraw/zinc/61/54/95/1162615495.db2.gz CEXQZTKYKHBJSR-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001571203690 1162679871 /nfs/dbraw/zinc/67/98/71/1162679871.db2.gz PZGHKIDKKCVSGT-WKILWMFISA-N 2 2 318.421 0.798 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001571361927 1162720028 /nfs/dbraw/zinc/72/00/28/1162720028.db2.gz YXYCPQWPZYOJEE-INIZCTEOSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001571361927 1162720034 /nfs/dbraw/zinc/72/00/34/1162720034.db2.gz YXYCPQWPZYOJEE-INIZCTEOSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001565904963 1159922258 /nfs/dbraw/zinc/92/22/58/1159922258.db2.gz YJXYECJSUMIWSF-JKSUJKDBSA-N 2 2 318.421 0.798 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1OCC ZINC001565950206 1159929008 /nfs/dbraw/zinc/92/90/08/1159929008.db2.gz KRSRCFBNRKECAR-HUUCEWRRSA-N 2 2 320.437 0.992 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001567231462 1160279364 /nfs/dbraw/zinc/27/93/64/1160279364.db2.gz JUKVZPQCANJTJH-CABCVRRESA-N 2 2 306.410 0.968 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001567231465 1160279752 /nfs/dbraw/zinc/27/97/52/1160279752.db2.gz JUKVZPQCANJTJH-LSDHHAIUSA-N 2 2 306.410 0.968 20 30 DCEDLP C#CCC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568583957 1160693755 /nfs/dbraw/zinc/69/37/55/1160693755.db2.gz GPIFJPRBRNGNQP-OAHLLOKOSA-N 2 2 314.389 0.275 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCC=C ZINC001569360916 1161028230 /nfs/dbraw/zinc/02/82/30/1161028230.db2.gz HULIQJUHBPMTLU-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001570302006 1161555038 /nfs/dbraw/zinc/55/50/38/1161555038.db2.gz JTDJJZSSQCONDR-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001570302006 1161555041 /nfs/dbraw/zinc/55/50/41/1161555041.db2.gz JTDJJZSSQCONDR-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001588349575 1166541794 /nfs/dbraw/zinc/54/17/94/1166541794.db2.gz SGQSJANSHKSFAJ-UHFFFAOYSA-N 2 2 324.392 0.559 20 30 DCEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC001588349575 1166541802 /nfs/dbraw/zinc/54/18/02/1166541802.db2.gz SGQSJANSHKSFAJ-UHFFFAOYSA-N 2 2 324.392 0.559 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001662685770 1174231502 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30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672003470 1175058997 /nfs/dbraw/zinc/05/89/97/1175058997.db2.gz KHESVUYTJIKADF-KRWDZBQOSA-N 2 2 312.373 0.753 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001672502952 1175118633 /nfs/dbraw/zinc/11/86/33/1175118633.db2.gz CGCFVZXVOFTUFY-INIZCTEOSA-N 2 2 322.409 0.029 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001672502952 1175118637 /nfs/dbraw/zinc/11/86/37/1175118637.db2.gz CGCFVZXVOFTUFY-INIZCTEOSA-N 2 2 322.409 0.029 20 30 DCEDLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC001676615875 1175468991 /nfs/dbraw/zinc/46/89/91/1175468991.db2.gz XQUIJONABWQKFZ-INIZCTEOSA-N 2 2 312.373 0.002 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690505564 1177258345 /nfs/dbraw/zinc/25/83/45/1177258345.db2.gz UOEOVILUQNHJHP-CVEARBPZSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001690505564 1177258350 /nfs/dbraw/zinc/25/83/50/1177258350.db2.gz UOEOVILUQNHJHP-CVEARBPZSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001692375123 1177501366 /nfs/dbraw/zinc/50/13/66/1177501366.db2.gz RDUVEXPIDZPRLM-HOTGVXAUSA-N 2 2 305.422 0.263 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001692375123 1177501372 /nfs/dbraw/zinc/50/13/72/1177501372.db2.gz RDUVEXPIDZPRLM-HOTGVXAUSA-N 2 2 305.422 0.263 20 30 DCEDLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001699077426 1177829709 /nfs/dbraw/zinc/82/97/09/1177829709.db2.gz VCRIAMHRGUZTEW-MRXNPFEDSA-N 2 2 312.373 0.002 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699897153 1178346015 /nfs/dbraw/zinc/34/60/15/1178346015.db2.gz PFBAQPPSWRJCOP-QGZVFWFLSA-N 2 2 312.373 0.753 20 30 DCEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699897153 1178346022 /nfs/dbraw/zinc/34/60/22/1178346022.db2.gz PFBAQPPSWRJCOP-QGZVFWFLSA-N 2 2 312.373 0.753 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001700639163 1178687711 /nfs/dbraw/zinc/68/77/11/1178687711.db2.gz CWBMXNQVNVXHGU-AVGNSLFASA-N 2 2 319.409 0.127 20 30 DCEDLP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001701037788 1178893360 /nfs/dbraw/zinc/89/33/60/1178893360.db2.gz LTTGATMXGXNLNL-ZIAGYGMSSA-N 2 2 304.394 0.601 20 30 DCEDLP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001701037788 1178893369 /nfs/dbraw/zinc/89/33/69/1178893369.db2.gz LTTGATMXGXNLNL-ZIAGYGMSSA-N 2 2 304.394 0.601 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001707067201 1180408607 /nfs/dbraw/zinc/40/86/07/1180408607.db2.gz QEBODPYWFOPTHX-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001707236075 1180444811 /nfs/dbraw/zinc/44/48/11/1180444811.db2.gz BYCUUOFGKLJWRX-HNNXBMFYSA-N 2 2 318.421 0.963 20 30 DCEDLP Cn1c[nH+]cc1CCC(=O)NCCC[NH+]1CCN(CC#N)CC1 ZINC001713071937 1180663964 /nfs/dbraw/zinc/66/39/64/1180663964.db2.gz DQZSXARQMXVPLO-UHFFFAOYSA-N 2 2 318.425 0.000 20 30 DCEDLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001713077979 1180670032 /nfs/dbraw/zinc/67/00/32/1180670032.db2.gz WTPDBKSMXBWAIO-CVEARBPZSA-N 2 2 321.469 0.364 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713086885 1180676229 /nfs/dbraw/zinc/67/62/29/1180676229.db2.gz RDKUUEUDZRRCSK-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713086885 1180676234 /nfs/dbraw/zinc/67/62/34/1180676234.db2.gz RDKUUEUDZRRCSK-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccnc1C ZINC001713316384 1180764423 /nfs/dbraw/zinc/76/44/23/1180764423.db2.gz PRURSDGKQYHELJ-BBRMVZONSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nccnc1C ZINC001713316384 1180764430 /nfs/dbraw/zinc/76/44/30/1180764430.db2.gz PRURSDGKQYHELJ-BBRMVZONSA-N 2 2 315.421 0.477 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001714042123 1181222534 /nfs/dbraw/zinc/22/25/34/1181222534.db2.gz SVHQFWCXROSZIN-INIZCTEOSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001714042123 1181222540 /nfs/dbraw/zinc/22/25/40/1181222540.db2.gz SVHQFWCXROSZIN-INIZCTEOSA-N 2 2 318.421 0.751 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnoc1C ZINC001714243846 1181293159 /nfs/dbraw/zinc/29/31/59/1181293159.db2.gz LITOELARGSVNQK-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnoc1C ZINC001714243846 1181293163 /nfs/dbraw/zinc/29/31/63/1181293163.db2.gz LITOELARGSVNQK-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001714433206 1181360610 /nfs/dbraw/zinc/36/06/10/1181360610.db2.gz AQOIXAKEBRYQCV-OCCSQVGLSA-N 2 2 319.409 0.081 20 30 DCEDLP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001714598956 1181431794 /nfs/dbraw/zinc/43/17/94/1181431794.db2.gz KGTAPGGPQGTQQP-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001714598956 1181431799 /nfs/dbraw/zinc/43/17/99/1181431799.db2.gz KGTAPGGPQGTQQP-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714598956 1181431805 /nfs/dbraw/zinc/43/18/05/1181431805.db2.gz KGTAPGGPQGTQQP-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001714598956 1181431808 /nfs/dbraw/zinc/43/18/08/1181431808.db2.gz KGTAPGGPQGTQQP-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714622714 1181445925 /nfs/dbraw/zinc/44/59/25/1181445925.db2.gz MGMBMCOZWPKWPZ-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001714622714 1181445927 /nfs/dbraw/zinc/44/59/27/1181445927.db2.gz MGMBMCOZWPKWPZ-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001714834711 1181567228 /nfs/dbraw/zinc/56/72/28/1181567228.db2.gz JUHOPCVECXANRP-IAGOWNOFSA-N 2 2 315.417 0.787 20 30 DCEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001714834711 1181567233 /nfs/dbraw/zinc/56/72/33/1181567233.db2.gz JUHOPCVECXANRP-IAGOWNOFSA-N 2 2 315.417 0.787 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001715427514 1181810366 /nfs/dbraw/zinc/81/03/66/1181810366.db2.gz YBQMSQIEZBGFOV-OCCSQVGLSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716029918 1182153061 /nfs/dbraw/zinc/15/30/61/1182153061.db2.gz VSSYHHXGQADWQG-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001716029918 1182153063 /nfs/dbraw/zinc/15/30/63/1182153063.db2.gz VSSYHHXGQADWQG-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001716029918 1182153066 /nfs/dbraw/zinc/15/30/66/1182153066.db2.gz VSSYHHXGQADWQG-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001716029918 1182153069 /nfs/dbraw/zinc/15/30/69/1182153069.db2.gz VSSYHHXGQADWQG-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001716685432 1182495910 /nfs/dbraw/zinc/49/59/10/1182495910.db2.gz AUXWACKCASVBQG-AWEZNQCLSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001724812937 1184569132 /nfs/dbraw/zinc/56/91/32/1184569132.db2.gz IVOKJIZGXDCEGT-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001724882035 1184606186 /nfs/dbraw/zinc/60/61/86/1184606186.db2.gz STCULZXKTYLKNR-INIZCTEOSA-N 2 2 319.449 0.845 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725175419 1184708876 /nfs/dbraw/zinc/70/88/76/1184708876.db2.gz SNRBNPLYLLTJJN-CQSZACIVSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725175419 1184708881 /nfs/dbraw/zinc/70/88/81/1184708881.db2.gz SNRBNPLYLLTJJN-CQSZACIVSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001725263792 1184743838 /nfs/dbraw/zinc/74/38/38/1184743838.db2.gz FVMRJZOVIBLFKM-OAHLLOKOSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725295231 1184756515 /nfs/dbraw/zinc/75/65/15/1184756515.db2.gz XIFZIOMKGUWSET-HNNXBMFYSA-N 2 2 318.421 0.668 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC001725295231 1184756517 /nfs/dbraw/zinc/75/65/17/1184756517.db2.gz XIFZIOMKGUWSET-HNNXBMFYSA-N 2 2 318.421 0.668 20 30 DCEDLP C#CCC[NH2+][C@@H](CO)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001725542494 1184873169 /nfs/dbraw/zinc/87/31/69/1184873169.db2.gz KYAZVTULZQCDOY-OAHLLOKOSA-N 2 2 312.373 0.576 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001732000644 1185631027 /nfs/dbraw/zinc/63/10/27/1185631027.db2.gz OBMNMJNQFVJGMW-CQSZACIVSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001733050354 1186117760 /nfs/dbraw/zinc/11/77/60/1186117760.db2.gz RFFVPBFIRPMNAX-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001733050354 1186117762 /nfs/dbraw/zinc/11/77/62/1186117762.db2.gz RFFVPBFIRPMNAX-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001733050354 1186117767 /nfs/dbraw/zinc/11/77/67/1186117767.db2.gz RFFVPBFIRPMNAX-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001733050354 1186117770 /nfs/dbraw/zinc/11/77/70/1186117770.db2.gz RFFVPBFIRPMNAX-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCC(C)C)C1 ZINC001733501429 1186309836 /nfs/dbraw/zinc/30/98/36/1186309836.db2.gz GFIQEPNBBQKKFY-HNNXBMFYSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCC(C)C)C1 ZINC001733501429 1186309839 /nfs/dbraw/zinc/30/98/39/1186309839.db2.gz GFIQEPNBBQKKFY-HNNXBMFYSA-N 2 2 307.438 0.293 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001733764726 1186437903 /nfs/dbraw/zinc/43/79/03/1186437903.db2.gz WAHNKFCMAOHKSB-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001733764726 1186437907 /nfs/dbraw/zinc/43/79/07/1186437907.db2.gz WAHNKFCMAOHKSB-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001734063008 1186535753 /nfs/dbraw/zinc/53/57/53/1186535753.db2.gz XUDPMKGHUPJWKZ-CHWSQXEVSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001734063008 1186535758 /nfs/dbraw/zinc/53/57/58/1186535758.db2.gz XUDPMKGHUPJWKZ-CHWSQXEVSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001734186087 1186574011 /nfs/dbraw/zinc/57/40/11/1186574011.db2.gz ZWWFDEKYMIECEG-UKRRQHHQSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734541657 1186684951 /nfs/dbraw/zinc/68/49/51/1186684951.db2.gz FFCGHCYCGOZFHL-AWEZNQCLSA-N 2 2 306.410 0.311 20 30 DCEDLP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001734541657 1186684953 /nfs/dbraw/zinc/68/49/53/1186684953.db2.gz FFCGHCYCGOZFHL-AWEZNQCLSA-N 2 2 306.410 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001752879198 1188454807 /nfs/dbraw/zinc/45/48/07/1188454807.db2.gz VEJCIDKYHYVIOT-CJNGLKHVSA-N 2 2 318.396 0.913 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cn1 ZINC001752879198 1188454810 /nfs/dbraw/zinc/45/48/10/1188454810.db2.gz VEJCIDKYHYVIOT-CJNGLKHVSA-N 2 2 318.396 0.913 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001754622377 1188892209 /nfs/dbraw/zinc/89/22/09/1188892209.db2.gz OTOQMMJGYYWQHM-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001754641436 1188895431 /nfs/dbraw/zinc/89/54/31/1188895431.db2.gz BQEOZRYZKZGODT-ZDUSSCGKSA-N 2 2 304.394 0.259 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752791 1188921133 /nfs/dbraw/zinc/92/11/33/1188921133.db2.gz QDUBPFATRJMGEW-BBRMVZONSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752791 1188921135 /nfs/dbraw/zinc/92/11/35/1188921135.db2.gz QDUBPFATRJMGEW-BBRMVZONSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001755801464 1189222517 /nfs/dbraw/zinc/22/25/17/1189222517.db2.gz CCWWFYZBHGSISU-ZBFHGGJFSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001755801464 1189222520 /nfs/dbraw/zinc/22/25/20/1189222520.db2.gz CCWWFYZBHGSISU-ZBFHGGJFSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001755839517 1189232338 /nfs/dbraw/zinc/23/23/38/1189232338.db2.gz RVSWRHXNSFQZHT-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001755839517 1189232342 /nfs/dbraw/zinc/23/23/42/1189232342.db2.gz RVSWRHXNSFQZHT-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001107011508 751751643 /nfs/dbraw/zinc/75/16/43/751751643.db2.gz DXSMNRKENCKSSX-OIISXLGYSA-N 2 2 319.449 0.415 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782856 751873430 /nfs/dbraw/zinc/87/34/30/751873430.db2.gz OVFQTLGNYFYUMI-CABCVRRESA-N 2 2 320.393 0.231 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H](O)C1 ZINC001083782856 751873440 /nfs/dbraw/zinc/87/34/40/751873440.db2.gz OVFQTLGNYFYUMI-CABCVRRESA-N 2 2 320.393 0.231 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785969 752086277 /nfs/dbraw/zinc/08/62/77/752086277.db2.gz SGJDKFLGZYLZGB-UHFFFAOYSA-N 2 2 306.410 0.670 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001083215313 747233662 /nfs/dbraw/zinc/23/36/62/747233662.db2.gz RTZRXIOEBBJKEM-IXDOHACOSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@H]2C1 ZINC001083215313 747233664 /nfs/dbraw/zinc/23/36/64/747233664.db2.gz RTZRXIOEBBJKEM-IXDOHACOSA-N 2 2 319.449 0.796 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528860 747357164 /nfs/dbraw/zinc/35/71/64/747357164.db2.gz OLMIMPYCYJNKDV-UHFFFAOYSA-N 2 2 304.394 0.478 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514558 748438598 /nfs/dbraw/zinc/43/85/98/748438598.db2.gz ZLRKPTBYNJFWRG-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514558 748438599 /nfs/dbraw/zinc/43/85/99/748438599.db2.gz ZLRKPTBYNJFWRG-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001112868255 761985307 /nfs/dbraw/zinc/98/53/07/761985307.db2.gz KHTIUPKWDBJRPC-HZPDHXFCSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001112868255 761985311 /nfs/dbraw/zinc/98/53/11/761985311.db2.gz KHTIUPKWDBJRPC-HZPDHXFCSA-N 2 2 323.437 0.196 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001083535893 750116274 /nfs/dbraw/zinc/11/62/74/750116274.db2.gz SEMVSJYQJDHKMF-IKGGRYGDSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001083535893 750116279 /nfs/dbraw/zinc/11/62/79/750116279.db2.gz SEMVSJYQJDHKMF-IKGGRYGDSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1O ZINC001083535893 750116284 /nfs/dbraw/zinc/11/62/84/750116284.db2.gz SEMVSJYQJDHKMF-IKGGRYGDSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@@H]1O ZINC001083535893 750116287 /nfs/dbraw/zinc/11/62/87/750116287.db2.gz SEMVSJYQJDHKMF-IKGGRYGDSA-N 2 2 319.449 0.436 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212200942 751089719 /nfs/dbraw/zinc/08/97/19/751089719.db2.gz HXOVQVDQASKLLC-ZIAGYGMSSA-N 2 2 322.409 0.360 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212200942 751089727 /nfs/dbraw/zinc/08/97/27/751089727.db2.gz HXOVQVDQASKLLC-ZIAGYGMSSA-N 2 2 322.409 0.360 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789491 752629897 /nfs/dbraw/zinc/62/98/97/752629897.db2.gz DVOBJBKNBURKEZ-BHPKHCPMSA-N 2 2 304.394 0.261 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789491 752629901 /nfs/dbraw/zinc/62/99/01/752629901.db2.gz DVOBJBKNBURKEZ-BHPKHCPMSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC2(CCOCC2)C1 ZINC001089928396 752717736 /nfs/dbraw/zinc/71/77/36/752717736.db2.gz JILNHWFNYBANOJ-JKSUJKDBSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089928396 752717741 /nfs/dbraw/zinc/71/77/41/752717741.db2.gz JILNHWFNYBANOJ-JKSUJKDBSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928396 752717747 /nfs/dbraw/zinc/71/77/47/752717747.db2.gz JILNHWFNYBANOJ-JKSUJKDBSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089928396 752717750 /nfs/dbraw/zinc/71/77/50/752717750.db2.gz JILNHWFNYBANOJ-JKSUJKDBSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082214 753471881 /nfs/dbraw/zinc/47/18/81/753471881.db2.gz UAHZCJBNOHWMLA-HNNXBMFYSA-N 2 2 315.421 0.112 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082214 753471886 /nfs/dbraw/zinc/47/18/86/753471886.db2.gz UAHZCJBNOHWMLA-HNNXBMFYSA-N 2 2 315.421 0.112 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864659 754459269 /nfs/dbraw/zinc/45/92/69/754459269.db2.gz ZZXNNFSCGJTJTC-SJORKVTESA-N 2 2 315.417 0.546 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864659 754459273 /nfs/dbraw/zinc/45/92/73/754459273.db2.gz ZZXNNFSCGJTJTC-SJORKVTESA-N 2 2 315.417 0.546 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048905137 755008414 /nfs/dbraw/zinc/00/84/14/755008414.db2.gz ANQPWSOSJXNRSZ-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048905137 755008417 /nfs/dbraw/zinc/00/84/17/755008417.db2.gz ANQPWSOSJXNRSZ-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053802975 756213762 /nfs/dbraw/zinc/21/37/62/756213762.db2.gz HXQNBJIVCOENKK-CVEARBPZSA-N 2 2 317.433 0.311 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806698 756215733 /nfs/dbraw/zinc/21/57/33/756215733.db2.gz PAHSVSJXTUKUBE-QLFBSQMISA-N 2 2 307.438 0.862 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806698 756215736 /nfs/dbraw/zinc/21/57/36/756215736.db2.gz PAHSVSJXTUKUBE-QLFBSQMISA-N 2 2 307.438 0.862 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053872599 756253911 /nfs/dbraw/zinc/25/39/11/756253911.db2.gz YNAGHZHLFXOXNB-AWEZNQCLSA-N 2 2 304.394 0.727 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054023099 756338207 /nfs/dbraw/zinc/33/82/07/756338207.db2.gz TXQSANMGJZRAKC-AWEZNQCLSA-N 2 2 304.394 0.809 20 30 DCEDLP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054108224 756369418 /nfs/dbraw/zinc/36/94/18/756369418.db2.gz QKIJYNKTMPMZHQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054108224 756369421 /nfs/dbraw/zinc/36/94/21/756369421.db2.gz QKIJYNKTMPMZHQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054108224 756369423 /nfs/dbraw/zinc/36/94/23/756369423.db2.gz QKIJYNKTMPMZHQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054108224 756369425 /nfs/dbraw/zinc/36/94/25/756369425.db2.gz QKIJYNKTMPMZHQ-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCOCC=C)CC2)CC1 ZINC001113677856 762463857 /nfs/dbraw/zinc/46/38/57/762463857.db2.gz UGPRQLPXQOBURX-UHFFFAOYSA-N 2 2 319.449 0.678 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799052 756812262 /nfs/dbraw/zinc/81/22/62/756812262.db2.gz AJAMVFVACGBZKP-RBSFLKMASA-N 2 2 316.405 0.599 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799052 756812267 /nfs/dbraw/zinc/81/22/67/756812267.db2.gz AJAMVFVACGBZKP-RBSFLKMASA-N 2 2 316.405 0.599 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081900035 756849849 /nfs/dbraw/zinc/84/98/49/756849849.db2.gz XLQUDGRUZODDRG-HZPDHXFCSA-N 2 2 312.373 0.787 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081900035 756849860 /nfs/dbraw/zinc/84/98/60/756849860.db2.gz XLQUDGRUZODDRG-HZPDHXFCSA-N 2 2 312.373 0.787 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087584 757485609 /nfs/dbraw/zinc/48/56/09/757485609.db2.gz SBGOXLZPMSHZES-XUWVNRHRSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087584 757485615 /nfs/dbraw/zinc/48/56/15/757485615.db2.gz SBGOXLZPMSHZES-XUWVNRHRSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087584 757485624 /nfs/dbraw/zinc/48/56/24/757485624.db2.gz SBGOXLZPMSHZES-XUWVNRHRSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087584 757485631 /nfs/dbraw/zinc/48/56/31/757485631.db2.gz SBGOXLZPMSHZES-XUWVNRHRSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090742 757668769 /nfs/dbraw/zinc/66/87/69/757668769.db2.gz FVLLJGCBMXCZNJ-CVEARBPZSA-N 2 2 301.390 0.156 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090742 757668772 /nfs/dbraw/zinc/66/87/72/757668772.db2.gz FVLLJGCBMXCZNJ-CVEARBPZSA-N 2 2 301.390 0.156 20 30 DCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920269 758251145 /nfs/dbraw/zinc/25/11/45/758251145.db2.gz DTMWAZVHAULVGL-HZPDHXFCSA-N 2 2 307.438 0.721 20 30 DCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920269 758251156 /nfs/dbraw/zinc/25/11/56/758251156.db2.gz DTMWAZVHAULVGL-HZPDHXFCSA-N 2 2 307.438 0.721 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001098446619 762676260 /nfs/dbraw/zinc/67/62/60/762676260.db2.gz GKRJRCYRYJAQKW-LVQVYYBASA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446619 762676262 /nfs/dbraw/zinc/67/62/62/762676262.db2.gz GKRJRCYRYJAQKW-LVQVYYBASA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446619 762676265 /nfs/dbraw/zinc/67/62/65/762676265.db2.gz GKRJRCYRYJAQKW-LVQVYYBASA-N 2 2 305.422 0.452 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446619 762676267 /nfs/dbraw/zinc/67/62/67/762676267.db2.gz GKRJRCYRYJAQKW-LVQVYYBASA-N 2 2 305.422 0.452 20 30 DCEDLP CC[C@@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+](C)C ZINC001052084770 759167499 /nfs/dbraw/zinc/16/74/99/759167499.db2.gz YJNVTDQTDDLUKB-GJZGRUSLSA-N 2 2 307.442 0.069 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731605 759245265 /nfs/dbraw/zinc/24/52/65/759245265.db2.gz FZYOVMLGDIUNQO-DGNOSDGRSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731605 759245272 /nfs/dbraw/zinc/24/52/72/759245272.db2.gz FZYOVMLGDIUNQO-DGNOSDGRSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001085731605 759245278 /nfs/dbraw/zinc/24/52/78/759245278.db2.gz FZYOVMLGDIUNQO-DGNOSDGRSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085731605 759245286 /nfs/dbraw/zinc/24/52/86/759245286.db2.gz FZYOVMLGDIUNQO-DGNOSDGRSA-N 2 2 303.406 0.016 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781644 759305078 /nfs/dbraw/zinc/30/50/78/759305078.db2.gz AZDWPNFWFFVLBN-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781644 759305086 /nfs/dbraw/zinc/30/50/86/759305086.db2.gz AZDWPNFWFFVLBN-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781644 759305096 /nfs/dbraw/zinc/30/50/96/759305096.db2.gz AZDWPNFWFFVLBN-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085781644 759305106 /nfs/dbraw/zinc/30/51/06/759305106.db2.gz AZDWPNFWFFVLBN-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@H+](CC=C)CCO2)CC1 ZINC001108419896 760508677 /nfs/dbraw/zinc/50/86/77/760508677.db2.gz TVNMNWCFUKGBPP-SFHVURJKSA-N 2 2 319.449 0.725 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@]2(C)C[N@@H+](CC=C)CCO2)CC1 ZINC001108419896 760508683 /nfs/dbraw/zinc/50/86/83/760508683.db2.gz TVNMNWCFUKGBPP-SFHVURJKSA-N 2 2 319.449 0.725 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108553674 760850014 /nfs/dbraw/zinc/85/00/14/760850014.db2.gz SMGZDHBICQQZTA-CJNGLKHVSA-N 2 2 322.453 0.160 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719015 761521660 /nfs/dbraw/zinc/52/16/60/761521660.db2.gz RATYBVBHVCKSFT-YVSFHVDLSA-N 2 2 319.449 0.700 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109719015 761521664 /nfs/dbraw/zinc/52/16/64/761521664.db2.gz RATYBVBHVCKSFT-YVSFHVDLSA-N 2 2 319.449 0.700 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109719015 761521667 /nfs/dbraw/zinc/52/16/67/761521667.db2.gz RATYBVBHVCKSFT-YVSFHVDLSA-N 2 2 319.449 0.700 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001109719015 761521670 /nfs/dbraw/zinc/52/16/70/761521670.db2.gz RATYBVBHVCKSFT-YVSFHVDLSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001071091569 761616607 /nfs/dbraw/zinc/61/66/07/761616607.db2.gz LDJPYIIAKACBNN-WBVHZDCISA-N 2 2 316.405 0.571 20 30 DCEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071217022 761712454 /nfs/dbraw/zinc/71/24/54/761712454.db2.gz ZKFJKJFXTKCABX-PBHICJAKSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071217022 761712465 /nfs/dbraw/zinc/71/24/65/761712465.db2.gz ZKFJKJFXTKCABX-PBHICJAKSA-N 2 2 316.405 0.667 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929300 763135307 /nfs/dbraw/zinc/13/53/07/763135307.db2.gz WHBOUQUKCHZIDZ-LSDHHAIUSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929300 763135309 /nfs/dbraw/zinc/13/53/09/763135309.db2.gz WHBOUQUKCHZIDZ-LSDHHAIUSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939452 763145795 /nfs/dbraw/zinc/14/57/95/763145795.db2.gz GAZTWDDAAZZBFH-LSDHHAIUSA-N 2 2 322.409 0.027 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939452 763145803 /nfs/dbraw/zinc/14/58/03/763145803.db2.gz GAZTWDDAAZZBFH-LSDHHAIUSA-N 2 2 322.409 0.027 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048621 763257313 /nfs/dbraw/zinc/25/73/13/763257313.db2.gz OHTXMBQBASNONY-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048621 763257319 /nfs/dbraw/zinc/25/73/19/763257319.db2.gz OHTXMBQBASNONY-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100063687 763271223 /nfs/dbraw/zinc/27/12/23/763271223.db2.gz BGDSNAPPRLPLAJ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100063687 763271231 /nfs/dbraw/zinc/27/12/31/763271231.db2.gz BGDSNAPPRLPLAJ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063687 763271237 /nfs/dbraw/zinc/27/12/37/763271237.db2.gz BGDSNAPPRLPLAJ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001100063687 763271244 /nfs/dbraw/zinc/27/12/44/763271244.db2.gz BGDSNAPPRLPLAJ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001100458155 763588966 /nfs/dbraw/zinc/58/89/66/763588966.db2.gz QEBODPYWFOPTHX-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754650 766081417 /nfs/dbraw/zinc/08/14/17/766081417.db2.gz GERLTTWSYTVOJQ-UHFFFAOYSA-N 2 2 307.398 0.083 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001098495507 767045800 /nfs/dbraw/zinc/04/58/00/767045800.db2.gz YESVHCYMPHCPFC-CQSZACIVSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001098495507 767045811 /nfs/dbraw/zinc/04/58/11/767045811.db2.gz YESVHCYMPHCPFC-CQSZACIVSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001098495507 767045818 /nfs/dbraw/zinc/04/58/18/767045818.db2.gz YESVHCYMPHCPFC-CQSZACIVSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001098495507 767045828 /nfs/dbraw/zinc/04/58/28/767045828.db2.gz YESVHCYMPHCPFC-CQSZACIVSA-N 2 2 318.421 0.507 20 30 DCEDLP C#CCC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001202947840 768480147 /nfs/dbraw/zinc/48/01/47/768480147.db2.gz WGMCVYXXOXHCPY-UHFFFAOYSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(OC2C[NH+](CC)C2)CC1 ZINC001093542843 768617659 /nfs/dbraw/zinc/61/76/59/768617659.db2.gz FLZPBUGFIPSSKP-KRWDZBQOSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OC2C[NH+](CC)C2)CC1 ZINC001093542843 768617663 /nfs/dbraw/zinc/61/76/63/768617663.db2.gz FLZPBUGFIPSSKP-KRWDZBQOSA-N 2 2 319.449 0.796 20 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30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001275295675 952050165 /nfs/dbraw/zinc/05/01/65/952050165.db2.gz UQAVVQZIBHDHHY-NFOMZHRRSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001275295675 952050156 /nfs/dbraw/zinc/05/01/56/952050156.db2.gz UQAVVQZIBHDHHY-NFOMZHRRSA-N 2 2 318.421 0.723 20 30 DCEDLP C#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283405951 954329957 /nfs/dbraw/zinc/32/99/57/954329957.db2.gz CFICHZYMOLXUBE-ZIAGYGMSSA-N 2 2 304.394 0.221 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC001349838755 954902506 /nfs/dbraw/zinc/90/25/06/954902506.db2.gz JPEOKPKAPGKWOM-UVLXDEKHSA-N 2 2 309.410 0.326 20 30 DCEDLP C#CC[NH2+]CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001353582212 956114890 /nfs/dbraw/zinc/11/48/90/956114890.db2.gz NYXCSTFYCKBKOV-UHFFFAOYSA-N 2 2 318.396 0.287 20 30 DCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001491748073 959178149 /nfs/dbraw/zinc/17/81/49/959178149.db2.gz VWWXMIHRDKAKMZ-DOTOQJQBSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001491748073 959178153 /nfs/dbraw/zinc/17/81/53/959178153.db2.gz VWWXMIHRDKAKMZ-DOTOQJQBSA-N 2 2 319.449 0.844 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491889283 959355707 /nfs/dbraw/zinc/35/57/07/959355707.db2.gz PKWGKGVWMMFHBT-ZIAGYGMSSA-N 2 2 304.394 0.619 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001394792449 994160018 /nfs/dbraw/zinc/16/00/18/994160018.db2.gz RRAZSVNTFOMMBM-CYBMUJFWSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001394792449 994160023 /nfs/dbraw/zinc/16/00/23/994160023.db2.gz RRAZSVNTFOMMBM-CYBMUJFWSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001394792449 994160027 /nfs/dbraw/zinc/16/00/27/994160027.db2.gz RRAZSVNTFOMMBM-CYBMUJFWSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001394792449 994160033 /nfs/dbraw/zinc/16/00/33/994160033.db2.gz RRAZSVNTFOMMBM-CYBMUJFWSA-N 2 2 305.850 0.830 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001502588126 1015985488 /nfs/dbraw/zinc/98/54/88/1015985488.db2.gz AEOHIRMSINZWLS-CPUCHLNUSA-N 2 2 318.421 0.653 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507674196 1016518109 /nfs/dbraw/zinc/51/81/09/1016518109.db2.gz BHXBTVVUFJADRX-AWEZNQCLSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507674196 1016518123 /nfs/dbraw/zinc/51/81/23/1016518123.db2.gz BHXBTVVUFJADRX-AWEZNQCLSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001437563570 1007130559 /nfs/dbraw/zinc/13/05/59/1007130559.db2.gz PNHDPXJGGBYKOE-GFCCVEGCSA-N 2 2 303.834 0.755 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001437563570 1007130562 /nfs/dbraw/zinc/13/05/62/1007130562.db2.gz PNHDPXJGGBYKOE-GFCCVEGCSA-N 2 2 303.834 0.755 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001438145886 1007667640 /nfs/dbraw/zinc/66/76/40/1007667640.db2.gz FXMONBABRPDISU-UHFFFAOYSA-N 2 2 315.845 0.898 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001506848654 1017612730 /nfs/dbraw/zinc/61/27/30/1017612730.db2.gz DIAULNWNUTZMIN-HIFRSBDPSA-N 2 2 304.394 0.489 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001499931663 1018142065 /nfs/dbraw/zinc/14/20/65/1018142065.db2.gz OUCYOPBRYQZDAS-HOCLYGCPSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001499931663 1018142075 /nfs/dbraw/zinc/14/20/75/1018142075.db2.gz OUCYOPBRYQZDAS-HOCLYGCPSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001499941658 1018147047 /nfs/dbraw/zinc/14/70/47/1018147047.db2.gz JAPRVPALTAYEMB-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC001500574090 1018498356 /nfs/dbraw/zinc/49/83/56/1018498356.db2.gz WIOITFMLWHKXAC-CQSZACIVSA-N 2 2 316.405 0.334 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001499006738 1019640925 /nfs/dbraw/zinc/64/09/25/1019640925.db2.gz YBEUIMFFWVWOSI-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001499006738 1019640931 /nfs/dbraw/zinc/64/09/31/1019640931.db2.gz YBEUIMFFWVWOSI-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCO1 ZINC001502078746 1019690567 /nfs/dbraw/zinc/69/05/67/1019690567.db2.gz DKNNZOUPKXMLOV-CABCVRRESA-N 2 2 304.394 0.675 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001502101742 1019720482 /nfs/dbraw/zinc/72/04/82/1019720482.db2.gz IDJTYKMNECECLM-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001502101742 1019720501 /nfs/dbraw/zinc/72/05/01/1019720501.db2.gz IDJTYKMNECECLM-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]2CNC(=O)C[N@@H+](C)CCC)C1=O ZINC001499106998 1019748272 /nfs/dbraw/zinc/74/82/72/1019748272.db2.gz OGUOYXJKUQEQCT-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]2CNC(=O)C[N@H+](C)CCC)C1=O ZINC001499106998 1019748289 /nfs/dbraw/zinc/74/82/89/1019748289.db2.gz OGUOYXJKUQEQCT-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499106998 1019748298 /nfs/dbraw/zinc/74/82/98/1019748298.db2.gz OGUOYXJKUQEQCT-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499106998 1019748310 /nfs/dbraw/zinc/74/83/10/1019748310.db2.gz OGUOYXJKUQEQCT-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP [NH2+]=C(NCc1ccccc1OCC[NH+]1CCOCC1)NC1CC1 ZINC000264075486 238188330 /nfs/dbraw/zinc/18/83/30/238188330.db2.gz FLAQBVHCOCGFFW-UHFFFAOYSA-N 2 2 318.421 0.964 20 30 DCEDLP COCC[N@H+](C)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264066264 238188944 /nfs/dbraw/zinc/18/89/44/238188944.db2.gz BFJZWJSIGCLNIO-UHFFFAOYSA-N 2 2 324.425 0.686 20 30 DCEDLP COCC[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264066264 238188947 /nfs/dbraw/zinc/18/89/47/238188947.db2.gz BFJZWJSIGCLNIO-UHFFFAOYSA-N 2 2 324.425 0.686 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000491374117 241122836 /nfs/dbraw/zinc/12/28/36/241122836.db2.gz PXNFSCYCAVATKE-DFEOGRTESA-N 2 2 313.445 0.908 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000491374117 241122841 /nfs/dbraw/zinc/12/28/41/241122841.db2.gz PXNFSCYCAVATKE-DFEOGRTESA-N 2 2 313.445 0.908 20 30 DCEDLP CN(c1ccnc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000594556182 396486533 /nfs/dbraw/zinc/48/65/33/396486533.db2.gz RZRPUZXDUQYDDV-CQSZACIVSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1ccnc(C#N)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000594556182 396486536 /nfs/dbraw/zinc/48/65/36/396486536.db2.gz RZRPUZXDUQYDDV-CQSZACIVSA-N 2 2 300.410 0.953 20 30 DCEDLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)[NH+]1CCOCC1 ZINC000595608997 396638728 /nfs/dbraw/zinc/63/87/28/396638728.db2.gz DMPFLCRIYPITTK-HNNXBMFYSA-N 2 2 322.453 0.839 20 30 DCEDLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H](CC#N)C1)[NH+]1CCOCC1 ZINC000595608997 396638730 /nfs/dbraw/zinc/63/87/30/396638730.db2.gz DMPFLCRIYPITTK-HNNXBMFYSA-N 2 2 322.453 0.839 20 30 DCEDLP N#CCCC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595946740 396691136 /nfs/dbraw/zinc/69/11/36/396691136.db2.gz YGOXVYCQXXGMIK-OAHLLOKOSA-N 2 2 308.426 0.578 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(C#N)n3)C2)CC1 ZINC000589414862 396713875 /nfs/dbraw/zinc/71/38/75/396713875.db2.gz NVFRGCPXQYDCCA-CQSZACIVSA-N 2 2 313.405 0.852 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(C#N)n3)C2)CC1 ZINC000589414862 396713878 /nfs/dbraw/zinc/71/38/78/396713878.db2.gz NVFRGCPXQYDCCA-CQSZACIVSA-N 2 2 313.405 0.852 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000490924500 397499169 /nfs/dbraw/zinc/49/91/69/397499169.db2.gz QAHDVFQBOANIHH-KRWDZBQOSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000490924500 397499170 /nfs/dbraw/zinc/49/91/70/397499170.db2.gz QAHDVFQBOANIHH-KRWDZBQOSA-N 2 2 319.449 0.655 20 30 DCEDLP N#CC[C@@]1(O)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852931 397502518 /nfs/dbraw/zinc/50/25/18/397502518.db2.gz UNSQSVSGGCMXKD-MSOLQXFVSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@@]1(O)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852931 397502521 /nfs/dbraw/zinc/50/25/21/397502521.db2.gz UNSQSVSGGCMXKD-MSOLQXFVSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@@]1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602852931 397502523 /nfs/dbraw/zinc/50/25/23/397502523.db2.gz UNSQSVSGGCMXKD-MSOLQXFVSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@@]1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602852931 397502526 /nfs/dbraw/zinc/50/25/26/397502526.db2.gz UNSQSVSGGCMXKD-MSOLQXFVSA-N 2 2 315.417 0.974 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609672901 397789767 /nfs/dbraw/zinc/78/97/67/397789767.db2.gz XFVKBLQDSFAXPU-HOTGVXAUSA-N 2 2 321.469 0.459 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609672901 397789768 /nfs/dbraw/zinc/78/97/68/397789768.db2.gz XFVKBLQDSFAXPU-HOTGVXAUSA-N 2 2 321.469 0.459 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000092796717 415546262 /nfs/dbraw/zinc/54/62/62/415546262.db2.gz WWZIGLLUXHGBFH-INIZCTEOSA-N 2 2 322.453 0.793 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000092796717 415546267 /nfs/dbraw/zinc/54/62/67/415546267.db2.gz WWZIGLLUXHGBFH-INIZCTEOSA-N 2 2 322.453 0.793 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754412 415683811 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ZINC001698857386 1177697265 /nfs/dbraw/zinc/69/72/65/1177697265.db2.gz OOTHOECKYZOPHV-CYBMUJFWSA-N 2 2 306.410 0.774 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001699191019 1177926317 /nfs/dbraw/zinc/92/63/17/1177926317.db2.gz QKQGVOSHIFTBLZ-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)O2 ZINC001700232049 1178542960 /nfs/dbraw/zinc/54/29/60/1178542960.db2.gz BAJXCGIRPCKFSG-LSDHHAIUSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)O2 ZINC001700232049 1178542969 /nfs/dbraw/zinc/54/29/69/1178542969.db2.gz BAJXCGIRPCKFSG-LSDHHAIUSA-N 2 2 307.438 0.864 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700850649 1178777859 /nfs/dbraw/zinc/77/78/59/1178777859.db2.gz HGRICTAKADDYIA-GXTWGEPZSA-N 2 2 304.394 0.489 20 30 DCEDLP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001713139074 1180693731 /nfs/dbraw/zinc/69/37/31/1180693731.db2.gz GRVJZKDMIPCSTN-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001713139074 1180693733 /nfs/dbraw/zinc/69/37/33/1180693733.db2.gz GRVJZKDMIPCSTN-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001713139074 1180693735 /nfs/dbraw/zinc/69/37/35/1180693735.db2.gz GRVJZKDMIPCSTN-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001713139074 1180693737 /nfs/dbraw/zinc/69/37/37/1180693737.db2.gz GRVJZKDMIPCSTN-XHSDSOJGSA-N 2 2 307.438 0.958 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713242470 1180734051 /nfs/dbraw/zinc/73/40/51/1180734051.db2.gz JABWSWLHYFGGOD-CQSZACIVSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CCC[NH2+][C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001713310883 1180760692 /nfs/dbraw/zinc/76/06/92/1180760692.db2.gz FBLVNJCMRVTWEC-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[NH2+][C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001713310883 1180760696 /nfs/dbraw/zinc/76/06/96/1180760696.db2.gz FBLVNJCMRVTWEC-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713960257 1181172931 /nfs/dbraw/zinc/17/29/31/1181172931.db2.gz AJJXXYHPRDDJKD-MGPQQGTHSA-N 2 2 319.409 0.373 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001714109628 1181247157 /nfs/dbraw/zinc/24/71/57/1181247157.db2.gz LQOHAGHNAPAMLP-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001714109628 1181247164 /nfs/dbraw/zinc/24/71/64/1181247164.db2.gz LQOHAGHNAPAMLP-INIZCTEOSA-N 2 2 318.421 0.812 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001715591621 1181882040 /nfs/dbraw/zinc/88/20/40/1181882040.db2.gz JFKBPAXWIHXAAK-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001716945161 1182598496 /nfs/dbraw/zinc/59/84/96/1182598496.db2.gz AZIPFEVPZYEKRT-ZDUSSCGKSA-N 2 2 306.410 0.480 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001717176127 1182710549 /nfs/dbraw/zinc/71/05/49/1182710549.db2.gz TTWDFLWLZOPQRE-CABCVRRESA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001717596253 1182917176 /nfs/dbraw/zinc/91/71/76/1182917176.db2.gz HIHAVJJADSBYCL-PHZGNYQRSA-N 2 2 312.417 0.689 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001717596253 1182917180 /nfs/dbraw/zinc/91/71/80/1182917180.db2.gz HIHAVJJADSBYCL-PHZGNYQRSA-N 2 2 312.417 0.689 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001717613269 1182924430 /nfs/dbraw/zinc/92/44/30/1182924430.db2.gz NLXTWSJSXIGPBD-DZGCQCFKSA-N 2 2 304.394 0.571 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001717613269 1182924435 /nfs/dbraw/zinc/92/44/35/1182924435.db2.gz NLXTWSJSXIGPBD-DZGCQCFKSA-N 2 2 304.394 0.571 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001724824665 1184576614 /nfs/dbraw/zinc/57/66/14/1184576614.db2.gz QKBNRBKWQNCMDN-CQSZACIVSA-N 2 2 322.409 0.280 20 30 DCEDLP C=CCC[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725531198 1184863599 /nfs/dbraw/zinc/86/35/99/1184863599.db2.gz LMDVPYWZVDKKBW-AWEZNQCLSA-N 2 2 302.378 0.899 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001725697675 1184949832 /nfs/dbraw/zinc/94/98/32/1184949832.db2.gz NOIHQBDBIMVFSX-HIFRSBDPSA-N 2 2 306.410 0.431 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731247106 1185214811 /nfs/dbraw/zinc/21/48/11/1185214811.db2.gz BZSSIQQGJZXUFR-ZIAGYGMSSA-N 2 2 304.394 0.601 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001731247106 1185214814 /nfs/dbraw/zinc/21/48/14/1185214814.db2.gz BZSSIQQGJZXUFR-ZIAGYGMSSA-N 2 2 304.394 0.601 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001731837071 1185519472 /nfs/dbraw/zinc/51/94/72/1185519472.db2.gz BIOVIAOKQCAMCA-OAHLLOKOSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001731837071 1185519475 /nfs/dbraw/zinc/51/94/75/1185519475.db2.gz BIOVIAOKQCAMCA-OAHLLOKOSA-N 2 2 304.394 0.422 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732384287 1185792898 /nfs/dbraw/zinc/79/28/98/1185792898.db2.gz LZPHVXFVBRAWEP-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732384287 1185792903 /nfs/dbraw/zinc/79/29/03/1185792903.db2.gz LZPHVXFVBRAWEP-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cnsn2)CC1 ZINC001733027279 1186107759 /nfs/dbraw/zinc/10/77/59/1186107759.db2.gz JRNYTKOTENIFDW-LBPRGKRZSA-N 2 2 321.450 0.478 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001733417362 1186266623 /nfs/dbraw/zinc/26/66/23/1186266623.db2.gz PLDCNSSQEDBOJS-QGZVFWFLSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001733417362 1186266627 /nfs/dbraw/zinc/26/66/27/1186266627.db2.gz PLDCNSSQEDBOJS-QGZVFWFLSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001733764725 1186437398 /nfs/dbraw/zinc/43/73/98/1186437398.db2.gz WAHNKFCMAOHKSB-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001733764725 1186437405 /nfs/dbraw/zinc/43/74/05/1186437405.db2.gz WAHNKFCMAOHKSB-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001734183868 1186571823 /nfs/dbraw/zinc/57/18/23/1186571823.db2.gz MDXHIOGQKYLKRH-UKRRQHHQSA-N 2 2 312.373 0.787 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001734519645 1186674362 /nfs/dbraw/zinc/67/43/62/1186674362.db2.gz FJAYQHWDXCDLIP-CYBMUJFWSA-N 2 2 300.362 0.380 20 30 DCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001752895951 1188457350 /nfs/dbraw/zinc/45/73/50/1188457350.db2.gz YXUIAWRHFMQRIF-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001752895951 1188457352 /nfs/dbraw/zinc/45/73/52/1188457352.db2.gz YXUIAWRHFMQRIF-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CCn2cc[nH+]c2)C1=O ZINC001753218150 1188538379 /nfs/dbraw/zinc/53/83/79/1188538379.db2.gz IVNQMKSCQQBERL-CQSZACIVSA-N 2 2 319.409 0.108 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078920 751820631 /nfs/dbraw/zinc/82/06/31/751820631.db2.gz OLNFTCUTMMTCGL-HUUCEWRRSA-N 2 2 304.394 0.217 20 30 DCEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001125219768 751841660 /nfs/dbraw/zinc/84/16/60/751841660.db2.gz BJYUXHNARYPFSK-OAHLLOKOSA-N 2 2 320.368 0.234 20 30 DCEDLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001125219768 751841670 /nfs/dbraw/zinc/84/16/70/751841670.db2.gz BJYUXHNARYPFSK-OAHLLOKOSA-N 2 2 320.368 0.234 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001042960690 752009348 /nfs/dbraw/zinc/00/93/48/752009348.db2.gz SCIROXWVBQGIGG-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001042960690 752009357 /nfs/dbraw/zinc/00/93/57/752009357.db2.gz SCIROXWVBQGIGG-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193184 746978425 /nfs/dbraw/zinc/97/84/25/746978425.db2.gz FFWLZNAFMGRDLW-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193184 746978432 /nfs/dbraw/zinc/97/84/32/746978432.db2.gz FFWLZNAFMGRDLW-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193184 746978437 /nfs/dbraw/zinc/97/84/37/746978437.db2.gz FFWLZNAFMGRDLW-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656457 752219143 /nfs/dbraw/zinc/21/91/43/752219143.db2.gz LIVFAYGNBXZHEF-NWANDNLSSA-N 2 2 318.421 0.957 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656457 752219147 /nfs/dbraw/zinc/21/91/47/752219147.db2.gz LIVFAYGNBXZHEF-NWANDNLSSA-N 2 2 318.421 0.957 20 30 DCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815374 750077218 /nfs/dbraw/zinc/07/72/18/750077218.db2.gz MPKDYDKZGQGGEL-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815374 750077223 /nfs/dbraw/zinc/07/72/23/750077223.db2.gz MPKDYDKZGQGGEL-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259669 750302536 /nfs/dbraw/zinc/30/25/36/750302536.db2.gz YXWVJHCRFTTYJJ-RRFJBIMHSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259669 750302544 /nfs/dbraw/zinc/30/25/44/750302544.db2.gz YXWVJHCRFTTYJJ-RRFJBIMHSA-N 2 2 318.421 0.573 20 30 DCEDLP C#CCN(C(=O)c1cc(C[NH+](C)C)on1)C1CC[NH+](C)CC1 ZINC001120380635 750624786 /nfs/dbraw/zinc/62/47/86/750624786.db2.gz VGXZZFYFWRZQMY-UHFFFAOYSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106801380 751286975 /nfs/dbraw/zinc/28/69/75/751286975.db2.gz ZXSIFATWPYEIID-ZIAGYGMSSA-N 2 2 306.410 0.839 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC001045797532 753336097 /nfs/dbraw/zinc/33/60/97/753336097.db2.gz MYAGCMMUWNFMMP-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC001045797532 753336103 /nfs/dbraw/zinc/33/61/03/753336103.db2.gz MYAGCMMUWNFMMP-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001045797532 753336108 /nfs/dbraw/zinc/33/61/08/753336108.db2.gz MYAGCMMUWNFMMP-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC001045797532 753336114 /nfs/dbraw/zinc/33/61/14/753336114.db2.gz MYAGCMMUWNFMMP-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082033 753472273 /nfs/dbraw/zinc/47/22/73/753472273.db2.gz RHCLACBTZSQINN-OAHLLOKOSA-N 2 2 317.437 0.665 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC001046082033 753472275 /nfs/dbraw/zinc/47/22/75/753472275.db2.gz RHCLACBTZSQINN-OAHLLOKOSA-N 2 2 317.437 0.665 20 30 DCEDLP COC(=O)c1cc(C#N)ccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735527 753970184 /nfs/dbraw/zinc/97/01/84/753970184.db2.gz BLADQOYYNPIKNN-UHFFFAOYSA-N 2 2 301.350 0.939 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060393 754506078 /nfs/dbraw/zinc/50/60/78/754506078.db2.gz PQPVCIFLLJPNDE-ILXRZTDVSA-N 2 2 320.441 0.392 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060393 754506081 /nfs/dbraw/zinc/50/60/81/754506081.db2.gz PQPVCIFLLJPNDE-ILXRZTDVSA-N 2 2 320.441 0.392 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362022 755694122 /nfs/dbraw/zinc/69/41/22/755694122.db2.gz SRUGAFLAJYEVET-DZGCQCFKSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362022 755694124 /nfs/dbraw/zinc/69/41/24/755694124.db2.gz SRUGAFLAJYEVET-DZGCQCFKSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001053309826 755998169 /nfs/dbraw/zinc/99/81/69/755998169.db2.gz SMPBWTOAPXFFCB-OAHLLOKOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001053309826 755998171 /nfs/dbraw/zinc/99/81/71/755998171.db2.gz SMPBWTOAPXFFCB-OAHLLOKOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803180 756213977 /nfs/dbraw/zinc/21/39/77/756213977.db2.gz MALQZEQHFAVROY-HZPDHXFCSA-N 2 2 319.449 0.864 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867569 756826974 /nfs/dbraw/zinc/82/69/74/756826974.db2.gz ZFCWKVBYVMHOMK-FVQBIDKESA-N 2 2 316.405 0.284 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867569 756826979 /nfs/dbraw/zinc/82/69/79/756826979.db2.gz ZFCWKVBYVMHOMK-FVQBIDKESA-N 2 2 316.405 0.284 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198810 756954384 /nfs/dbraw/zinc/95/43/84/756954384.db2.gz NWUSUBPOEWPWPN-BZUAXINKSA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198810 756954389 /nfs/dbraw/zinc/95/43/89/756954389.db2.gz NWUSUBPOEWPWPN-BZUAXINKSA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082198810 756954392 /nfs/dbraw/zinc/95/43/92/756954392.db2.gz NWUSUBPOEWPWPN-BZUAXINKSA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082198810 756954397 /nfs/dbraw/zinc/95/43/97/756954397.db2.gz NWUSUBPOEWPWPN-BZUAXINKSA-N 2 2 307.438 0.698 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144020 757524497 /nfs/dbraw/zinc/52/44/97/757524497.db2.gz MFUVSDOZRHHCNU-LSDHHAIUSA-N 2 2 304.394 0.679 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144020 757524506 /nfs/dbraw/zinc/52/45/06/757524506.db2.gz MFUVSDOZRHHCNU-LSDHHAIUSA-N 2 2 304.394 0.679 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001051995973 759098646 /nfs/dbraw/zinc/09/86/46/759098646.db2.gz IBISDZBXAMNPPZ-CVEARBPZSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051995973 759098654 /nfs/dbraw/zinc/09/86/54/759098654.db2.gz IBISDZBXAMNPPZ-CVEARBPZSA-N 2 2 306.454 0.485 20 30 DCEDLP CCc1nnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c1CC ZINC001169072611 760572375 /nfs/dbraw/zinc/57/23/75/760572375.db2.gz QAUCMZORPQBDCG-SNVBAGLBSA-N 2 2 300.366 0.521 20 30 DCEDLP N#CCc1ccc([N+](=O)[O-])c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169075459 760576378 /nfs/dbraw/zinc/57/63/78/760576378.db2.gz RNJARWVDXFNIOG-LLVKDONJSA-N 2 2 301.306 0.709 20 30 DCEDLP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400853 761397291 /nfs/dbraw/zinc/39/72/91/761397291.db2.gz ZCMOYKHUGYJKBT-FXUDXRNXSA-N 2 2 317.437 0.721 20 30 DCEDLP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](Cn1cccn1)[NH+](C)C)C2 ZINC001109400853 761397300 /nfs/dbraw/zinc/39/73/00/761397300.db2.gz ZCMOYKHUGYJKBT-FXUDXRNXSA-N 2 2 317.437 0.721 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)oc1C ZINC001129770491 763007107 /nfs/dbraw/zinc/00/71/07/763007107.db2.gz GVBNRPKSPNNCAL-HNNXBMFYSA-N 2 2 304.394 0.595 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nc(C)oc1C ZINC001129770491 763007113 /nfs/dbraw/zinc/00/71/13/763007113.db2.gz GVBNRPKSPNNCAL-HNNXBMFYSA-N 2 2 304.394 0.595 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871518 763089369 /nfs/dbraw/zinc/08/93/69/763089369.db2.gz GKZHYZJDELRNLN-QWHCGFSZSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099871518 763089375 /nfs/dbraw/zinc/08/93/75/763089375.db2.gz GKZHYZJDELRNLN-QWHCGFSZSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879614 763095608 /nfs/dbraw/zinc/09/56/08/763095608.db2.gz MYOVBRGDEHJNBM-UONOGXRCSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879614 763095613 /nfs/dbraw/zinc/09/56/13/763095613.db2.gz MYOVBRGDEHJNBM-UONOGXRCSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879614 763095617 /nfs/dbraw/zinc/09/56/17/763095617.db2.gz MYOVBRGDEHJNBM-UONOGXRCSA-N 2 2 315.845 0.775 20 30 DCEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001100461476 763591526 /nfs/dbraw/zinc/59/15/26/763591526.db2.gz ZANLQBUUQAJRBS-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@@H+](C)CC)c1nccn12 ZINC001101649335 764219833 /nfs/dbraw/zinc/21/98/33/764219833.db2.gz LRBKCWRZAMMWRM-CQSZACIVSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CC)c1nccn12 ZINC001101649335 764219842 /nfs/dbraw/zinc/21/98/42/764219842.db2.gz LRBKCWRZAMMWRM-CQSZACIVSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134521693 765550693 /nfs/dbraw/zinc/55/06/93/765550693.db2.gz NIPLOXGLWHPUBP-OLZOCXBDSA-N 2 2 307.398 0.231 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945267 766180722 /nfs/dbraw/zinc/18/07/22/766180722.db2.gz XSQLKSQYDKNZGE-KGLIPLIRSA-N 2 2 306.410 0.485 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149882044 768900202 /nfs/dbraw/zinc/90/02/02/768900202.db2.gz XRFBWHRORMDSNI-OAHLLOKOSA-N 2 2 318.421 0.767 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001149882044 768900211 /nfs/dbraw/zinc/90/02/11/768900211.db2.gz XRFBWHRORMDSNI-OAHLLOKOSA-N 2 2 318.421 0.767 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426518 769092649 /nfs/dbraw/zinc/09/26/49/769092649.db2.gz WFHXDJCTVHQZAF-HOCLYGCPSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426518 769092658 /nfs/dbraw/zinc/09/26/58/769092658.db2.gz WFHXDJCTVHQZAF-HOCLYGCPSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426518 769092667 /nfs/dbraw/zinc/09/26/67/769092667.db2.gz WFHXDJCTVHQZAF-HOCLYGCPSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426518 769092675 /nfs/dbraw/zinc/09/26/75/769092675.db2.gz WFHXDJCTVHQZAF-HOCLYGCPSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001151392971 769328949 /nfs/dbraw/zinc/32/89/49/769328949.db2.gz VOBPQEHHXTWMTP-UHFFFAOYSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235300632 769798711 /nfs/dbraw/zinc/79/87/11/769798711.db2.gz ASQHALZUTDZTLF-JKSUJKDBSA-N 2 2 317.437 0.369 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235300632 769798720 /nfs/dbraw/zinc/79/87/20/769798720.db2.gz ASQHALZUTDZTLF-JKSUJKDBSA-N 2 2 317.437 0.369 20 30 DCEDLP N#Cc1ccc(NC(=O)N2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001239286602 770206454 /nfs/dbraw/zinc/20/64/54/770206454.db2.gz MLIUGIKYRKSILW-UHFFFAOYSA-N 2 2 316.409 0.175 20 30 DCEDLP C=CCNC(=O)c1cccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157916344 771693379 /nfs/dbraw/zinc/69/33/79/771693379.db2.gz UUFZDUGZQGINDU-UHFFFAOYSA-N 2 2 302.382 0.591 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC001184575284 771800829 /nfs/dbraw/zinc/80/08/29/771800829.db2.gz BUPSLTUVQHMCMW-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC001184575284 771800834 /nfs/dbraw/zinc/80/08/34/771800834.db2.gz BUPSLTUVQHMCMW-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184720446 771817702 /nfs/dbraw/zinc/81/77/02/771817702.db2.gz OYBKJKGVXXFVNA-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP CC(C)C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(=O)NO ZINC001163420095 772523433 /nfs/dbraw/zinc/52/34/33/772523433.db2.gz AIVKSLAMPKWQEQ-ZDUSSCGKSA-N 2 2 307.398 0.823 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814823 772538303 /nfs/dbraw/zinc/53/83/03/772538303.db2.gz MODXHCBXWKNBNI-OAHLLOKOSA-N 2 2 311.426 0.006 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204092430 772936812 /nfs/dbraw/zinc/93/68/12/772936812.db2.gz INBNVDLHVOJVND-CYBMUJFWSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196500768 773610934 /nfs/dbraw/zinc/61/09/34/773610934.db2.gz UVUUDNJZMIJEAC-RRFJBIMHSA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196500768 773610936 /nfs/dbraw/zinc/61/09/36/773610936.db2.gz UVUUDNJZMIJEAC-RRFJBIMHSA-N 2 2 306.410 0.962 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210049831 773671346 /nfs/dbraw/zinc/67/13/46/773671346.db2.gz AIKNMMLAFDCAGW-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210049831 773671347 /nfs/dbraw/zinc/67/13/47/773671347.db2.gz AIKNMMLAFDCAGW-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001152335050 773741716 /nfs/dbraw/zinc/74/17/16/773741716.db2.gz XUUDOYNTLPSPAC-UHFFFAOYSA-N 2 2 301.394 0.028 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555374 773859794 /nfs/dbraw/zinc/85/97/94/773859794.db2.gz JVOVSDAEFQHMEJ-BPLDGKMQSA-N 2 2 306.410 0.980 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555374 773859798 /nfs/dbraw/zinc/85/97/98/773859798.db2.gz JVOVSDAEFQHMEJ-BPLDGKMQSA-N 2 2 306.410 0.980 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555374 773859800 /nfs/dbraw/zinc/85/98/00/773859800.db2.gz JVOVSDAEFQHMEJ-BPLDGKMQSA-N 2 2 306.410 0.980 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555374 773859802 /nfs/dbraw/zinc/85/98/02/773859802.db2.gz JVOVSDAEFQHMEJ-BPLDGKMQSA-N 2 2 306.410 0.980 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119301 774042905 /nfs/dbraw/zinc/04/29/05/774042905.db2.gz AQYKQAFEWLZQIV-BRWVUGGUSA-N 2 2 315.417 0.474 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119301 774042910 /nfs/dbraw/zinc/04/29/10/774042910.db2.gz AQYKQAFEWLZQIV-BRWVUGGUSA-N 2 2 315.417 0.474 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200147 774049010 /nfs/dbraw/zinc/04/90/10/774049010.db2.gz QZQDXNVAXOBVPG-HUUCEWRRSA-N 2 2 318.421 0.439 20 30 DCEDLP C[C@]1(C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)COCC[NH2+]1 ZINC001218552850 774246294 /nfs/dbraw/zinc/24/62/94/774246294.db2.gz KYVQYOCDNZHGBX-CQSZACIVSA-N 2 2 306.391 0.582 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292339 774317880 /nfs/dbraw/zinc/31/78/80/774317880.db2.gz RXJOEXVYGCGEJM-UHFFFAOYSA-N 2 2 319.409 0.225 20 30 DCEDLP CC(=O)Nc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1C#N ZINC001218915311 774326688 /nfs/dbraw/zinc/32/66/88/774326688.db2.gz NNBMXOLSWVDDLO-XPKDYRNWSA-N 2 2 313.361 0.677 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037694 774354036 /nfs/dbraw/zinc/35/40/36/774354036.db2.gz YKIHRJDIBLMMQV-DLBZAZTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037694 774354043 /nfs/dbraw/zinc/35/40/43/774354043.db2.gz YKIHRJDIBLMMQV-DLBZAZTESA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC001200831132 774414026 /nfs/dbraw/zinc/41/40/26/774414026.db2.gz KDTKUZNNBRLLDX-GDBMZVCRSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC001200843102 774415076 /nfs/dbraw/zinc/41/50/76/774415076.db2.gz XNRRAZMGOOVHOR-CABCVRRESA-N 2 2 316.405 0.286 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853116 774627950 /nfs/dbraw/zinc/62/79/50/774627950.db2.gz GCYCREHZVUDNFT-OAGGEKHMSA-N 2 2 318.421 0.655 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 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DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267057596 939325874 /nfs/dbraw/zinc/32/58/74/939325874.db2.gz BFBRQCLABHPMAO-CHWSQXEVSA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267148536 939358895 /nfs/dbraw/zinc/35/88/95/939358895.db2.gz LDNKHYHZSBZZCF-ZIAGYGMSSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267148536 939358900 /nfs/dbraw/zinc/35/89/00/939358900.db2.gz LDNKHYHZSBZZCF-ZIAGYGMSSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267267895 939410098 /nfs/dbraw/zinc/41/00/98/939410098.db2.gz TYEULPFDXIFIKB-OAHLLOKOSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267267895 939410099 /nfs/dbraw/zinc/41/00/99/939410099.db2.gz TYEULPFDXIFIKB-OAHLLOKOSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nncs2)CC1 ZINC001267474917 939470534 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0.557 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481641411 939991079 /nfs/dbraw/zinc/99/10/79/939991079.db2.gz OOVSZNQMWKMREC-ZFWWWQNUSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481641411 939991082 /nfs/dbraw/zinc/99/10/82/939991082.db2.gz OOVSZNQMWKMREC-ZFWWWQNUSA-N 2 2 322.453 0.067 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001270359503 940887080 /nfs/dbraw/zinc/88/70/80/940887080.db2.gz WBDFIHSBRQVWOY-AWEZNQCLSA-N 2 2 318.421 0.270 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001483422671 942351619 /nfs/dbraw/zinc/35/16/19/942351619.db2.gz XUWNYLKXYSSQNH-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001483422671 942351625 /nfs/dbraw/zinc/35/16/25/942351625.db2.gz XUWNYLKXYSSQNH-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001483422671 942351630 /nfs/dbraw/zinc/35/16/30/942351630.db2.gz XUWNYLKXYSSQNH-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001483422671 942351634 /nfs/dbraw/zinc/35/16/34/942351634.db2.gz XUWNYLKXYSSQNH-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483650676 942624408 /nfs/dbraw/zinc/62/44/08/942624408.db2.gz HSWRQXQZDFQGLZ-JKSUJKDBSA-N 2 2 305.422 0.169 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483650676 942624412 /nfs/dbraw/zinc/62/44/12/942624412.db2.gz HSWRQXQZDFQGLZ-JKSUJKDBSA-N 2 2 305.422 0.169 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484242773 943250091 /nfs/dbraw/zinc/25/00/91/943250091.db2.gz ZDRVUGVUTFNDDL-BBRMVZONSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484242773 943250098 /nfs/dbraw/zinc/25/00/98/943250098.db2.gz ZDRVUGVUTFNDDL-BBRMVZONSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484242773 943250102 /nfs/dbraw/zinc/25/01/02/943250102.db2.gz ZDRVUGVUTFNDDL-BBRMVZONSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484242773 943250112 /nfs/dbraw/zinc/25/01/12/943250112.db2.gz ZDRVUGVUTFNDDL-BBRMVZONSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001484442141 943387018 /nfs/dbraw/zinc/38/70/18/943387018.db2.gz QRDGHQCAGMBSBL-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001484442141 943387022 /nfs/dbraw/zinc/38/70/22/943387022.db2.gz QRDGHQCAGMBSBL-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001484962556 943634347 /nfs/dbraw/zinc/63/43/47/943634347.db2.gz ADACQPWKAKMQFC-UHFFFAOYSA-N 2 2 318.421 0.654 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070751 943681004 /nfs/dbraw/zinc/68/10/04/943681004.db2.gz ZPLCKVMQMIWMBZ-HNNXBMFYSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001485070751 943681007 /nfs/dbraw/zinc/68/10/07/943681007.db2.gz ZPLCKVMQMIWMBZ-HNNXBMFYSA-N 2 2 304.394 0.525 20 30 DCEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277101637 944662483 /nfs/dbraw/zinc/66/24/83/944662483.db2.gz IPWZPEGZOFQIGR-AWEZNQCLSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001316959076 944682744 /nfs/dbraw/zinc/68/27/44/944682744.db2.gz BWNRTYCNXYBXNH-INIZCTEOSA-N 2 2 308.470 0.781 20 30 DCEDLP C=CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001316959076 944682753 /nfs/dbraw/zinc/68/27/53/944682753.db2.gz BWNRTYCNXYBXNH-INIZCTEOSA-N 2 2 308.470 0.781 20 30 DCEDLP C#CCC[N@H+](C)CCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277501710 944845709 /nfs/dbraw/zinc/84/57/09/944845709.db2.gz VACQSVFLYCJJCE-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277501710 944845716 /nfs/dbraw/zinc/84/57/16/944845716.db2.gz VACQSVFLYCJJCE-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP N#CCCCC[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001277951710 945057349 /nfs/dbraw/zinc/05/73/49/945057349.db2.gz NYHGTBCUBOYPBR-IYBDPMFKSA-N 2 2 303.410 0.962 20 30 DCEDLP N#CCCCC[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001277951710 945057360 /nfs/dbraw/zinc/05/73/60/945057360.db2.gz NYHGTBCUBOYPBR-IYBDPMFKSA-N 2 2 303.410 0.962 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319321101 945559306 /nfs/dbraw/zinc/55/93/06/945559306.db2.gz AMNLIPLHIWUONM-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319321101 945559313 /nfs/dbraw/zinc/55/93/13/945559313.db2.gz AMNLIPLHIWUONM-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321101 945559326 /nfs/dbraw/zinc/55/93/26/945559326.db2.gz AMNLIPLHIWUONM-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321101 945559337 /nfs/dbraw/zinc/55/93/37/945559337.db2.gz AMNLIPLHIWUONM-OAHLLOKOSA-N 2 2 309.454 0.805 20 30 DCEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1cnc(C#N)n1 ZINC001319342633 945568015 /nfs/dbraw/zinc/56/80/15/945568015.db2.gz VKOMAHTUXRUSHZ-UHFFFAOYSA-N 2 2 308.305 0.678 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001319935843 945698683 /nfs/dbraw/zinc/69/86/83/945698683.db2.gz LZTRNSNIIHFSLS-SJORKVTESA-N 2 2 321.465 0.993 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001319935843 945698687 /nfs/dbraw/zinc/69/86/87/945698687.db2.gz LZTRNSNIIHFSLS-SJORKVTESA-N 2 2 321.465 0.993 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251836205 945788416 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DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)O2 ZINC001273669038 948014756 /nfs/dbraw/zinc/01/47/56/948014756.db2.gz LKCMCTLEWFECFI-HUUCEWRRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001327363593 948479191 /nfs/dbraw/zinc/47/91/91/948479191.db2.gz HSHLJLGNLIWVRW-OAHLLOKOSA-N 2 2 305.422 0.455 20 30 DCEDLP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001273928847 948685475 /nfs/dbraw/zinc/68/54/75/948685475.db2.gz FVERVDDOUSUUDL-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001273929236 948685605 /nfs/dbraw/zinc/68/56/05/948685605.db2.gz IRWUEFLKTRIZKY-INIZCTEOSA-N 2 2 306.410 0.780 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001264408818 948964913 /nfs/dbraw/zinc/96/49/13/948964913.db2.gz VUCBTDGTEMLZAG-OKILXGFUSA-N 2 2 304.394 0.395 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265291939 949561811 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20 30 DCEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001279520730 950617695 /nfs/dbraw/zinc/61/76/95/950617695.db2.gz ZQGMKQKALYCVTE-RDJZCZTQSA-N 2 2 318.421 0.801 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441208 950668800 /nfs/dbraw/zinc/66/88/00/950668800.db2.gz AATJGIXFOUUMNX-INIZCTEOSA-N 2 2 319.449 0.845 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490441208 950668809 /nfs/dbraw/zinc/66/88/09/950668809.db2.gz AATJGIXFOUUMNX-INIZCTEOSA-N 2 2 319.449 0.845 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001274590605 951719032 /nfs/dbraw/zinc/71/90/32/951719032.db2.gz ZZJOFAUDFLAQFI-UHFFFAOYSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274656350 951768907 /nfs/dbraw/zinc/76/89/07/951768907.db2.gz OWZFMLIJOIRCRO-BZUAXINKSA-N 2 2 309.454 0.940 20 30 DCEDLP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274656350 951768912 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DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340221399 953155293 /nfs/dbraw/zinc/15/52/93/953155293.db2.gz DDZIWCVPACEDPB-GDBMZVCRSA-N 3 2 308.470 0.955 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284150240 954880797 /nfs/dbraw/zinc/88/07/97/954880797.db2.gz ADXRZWUFVUWUQJ-HOCLYGCPSA-N 2 2 318.421 0.810 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CC#CCOC ZINC001316740113 960125726 /nfs/dbraw/zinc/12/57/26/960125726.db2.gz ABFJRKKBOXQPMW-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CC#CCOC ZINC001316740113 960125751 /nfs/dbraw/zinc/12/57/51/960125751.db2.gz ABFJRKKBOXQPMW-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001379204664 962357737 /nfs/dbraw/zinc/35/77/37/962357737.db2.gz HHIBHIBXESXJAK-JTQLQIEISA-N 2 2 316.789 0.169 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001380574641 963380685 /nfs/dbraw/zinc/38/06/85/963380685.db2.gz RRIBIGZLUBVEGU-CQSZACIVSA-N 2 2 312.801 0.497 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001380574641 963380695 /nfs/dbraw/zinc/38/06/95/963380695.db2.gz RRIBIGZLUBVEGU-CQSZACIVSA-N 2 2 312.801 0.497 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001382475635 967424274 /nfs/dbraw/zinc/42/42/74/967424274.db2.gz BPJNDQTWDKXDLI-QWHCGFSZSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001382475635 967424277 /nfs/dbraw/zinc/42/42/77/967424277.db2.gz BPJNDQTWDKXDLI-QWHCGFSZSA-N 2 2 305.850 0.830 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)[C@@]1([NH+](C)C)COc2ccccc2C1 ZINC001528641290 1014370805 /nfs/dbraw/zinc/37/08/05/1014370805.db2.gz FZDAJGNEICEVPX-SFHVURJKSA-N 2 2 315.417 0.603 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507504592 1016429084 /nfs/dbraw/zinc/42/90/84/1016429084.db2.gz BULMPBPQYMBPDY-RBSFLKMASA-N 2 2 320.437 0.899 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001401833828 1000768579 /nfs/dbraw/zinc/76/85/79/1000768579.db2.gz KNTWIKVQMGCFSB-CHWSQXEVSA-N 2 2 301.818 0.554 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001401833828 1000768585 /nfs/dbraw/zinc/76/85/85/1000768585.db2.gz KNTWIKVQMGCFSB-CHWSQXEVSA-N 2 2 301.818 0.554 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001508042365 1016621091 /nfs/dbraw/zinc/62/10/91/1016621091.db2.gz CCXVPVALNGDSCA-CQSZACIVSA-N 2 2 306.410 0.653 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001423785115 1011544572 /nfs/dbraw/zinc/54/45/72/1011544572.db2.gz JPADLYVQFAQTHO-IUODEOHRSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001423785115 1011544584 /nfs/dbraw/zinc/54/45/84/1011544584.db2.gz JPADLYVQFAQTHO-IUODEOHRSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001423785115 1011544596 /nfs/dbraw/zinc/54/45/96/1011544596.db2.gz JPADLYVQFAQTHO-IUODEOHRSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001423785115 1011544607 /nfs/dbraw/zinc/54/46/07/1011544607.db2.gz JPADLYVQFAQTHO-IUODEOHRSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(CCC(=O)OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001543234863 1012506870 /nfs/dbraw/zinc/50/68/70/1012506870.db2.gz JWCSRTNUFPQKAR-CQSZACIVSA-N 2 2 323.437 0.781 20 30 DCEDLP C=C(CCC(=O)OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001543234863 1012506885 /nfs/dbraw/zinc/50/68/85/1012506885.db2.gz JWCSRTNUFPQKAR-CQSZACIVSA-N 2 2 323.437 0.781 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506622870 1017416520 /nfs/dbraw/zinc/41/65/20/1017416520.db2.gz PDSXIDYHDAMGDB-GZBFAFLISA-N 2 2 322.453 0.065 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506622870 1017416530 /nfs/dbraw/zinc/41/65/30/1017416530.db2.gz PDSXIDYHDAMGDB-GZBFAFLISA-N 2 2 322.453 0.065 20 30 DCEDLP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001506839266 1017601323 /nfs/dbraw/zinc/60/13/23/1017601323.db2.gz NIYRRXRTZYDHLR-UONOGXRCSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479657671 1017635357 /nfs/dbraw/zinc/63/53/57/1017635357.db2.gz MRSUZOKAVUQYKN-HOTGVXAUSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479657671 1017635364 /nfs/dbraw/zinc/63/53/64/1017635364.db2.gz MRSUZOKAVUQYKN-HOTGVXAUSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001479741962 1017686667 /nfs/dbraw/zinc/68/66/67/1017686667.db2.gz OVFGPNLSTKTNAB-LBPRGKRZSA-N 2 2 318.446 0.702 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001479741962 1017686670 /nfs/dbraw/zinc/68/66/70/1017686670.db2.gz OVFGPNLSTKTNAB-LBPRGKRZSA-N 2 2 318.446 0.702 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001479930922 1017993033 /nfs/dbraw/zinc/99/30/33/1017993033.db2.gz PJXBYBBDQMZTFB-QGZVFWFLSA-N 2 2 318.465 0.085 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCN(CC)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001497460639 1018150074 /nfs/dbraw/zinc/15/00/74/1018150074.db2.gz PRDNXVHIGBKPNQ-CQSZACIVSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480211911 1018320482 /nfs/dbraw/zinc/32/04/82/1018320482.db2.gz PMBCCKJBOFDNGQ-KFWWJZLASA-N 2 2 318.421 0.885 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC#C)C1 ZINC001500502471 1018476044 /nfs/dbraw/zinc/47/60/44/1018476044.db2.gz VTIQPRSQMKJGER-FUHWJXTLSA-N 2 2 301.434 0.936 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC#C)C1 ZINC001500502471 1018476050 /nfs/dbraw/zinc/47/60/50/1018476050.db2.gz VTIQPRSQMKJGER-FUHWJXTLSA-N 2 2 301.434 0.936 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC#C)C1 ZINC001500502471 1018476056 /nfs/dbraw/zinc/47/60/56/1018476056.db2.gz VTIQPRSQMKJGER-FUHWJXTLSA-N 2 2 301.434 0.936 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC#C)C1 ZINC001500502471 1018476060 /nfs/dbraw/zinc/47/60/60/1018476060.db2.gz VTIQPRSQMKJGER-FUHWJXTLSA-N 2 2 301.434 0.936 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500689119 1018578966 /nfs/dbraw/zinc/57/89/66/1018578966.db2.gz BYOUCOLJAHCKPE-KRWDZBQOSA-N 2 2 319.405 0.762 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500689119 1018578979 /nfs/dbraw/zinc/57/89/79/1018578979.db2.gz BYOUCOLJAHCKPE-KRWDZBQOSA-N 2 2 319.405 0.762 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000491253288 241112840 /nfs/dbraw/zinc/11/28/40/241112840.db2.gz MPNLRAIWEQYOIN-BRWVUGGUSA-N 2 2 319.449 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000491253288 241112844 /nfs/dbraw/zinc/11/28/44/241112844.db2.gz MPNLRAIWEQYOIN-BRWVUGGUSA-N 2 2 319.449 0.389 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000079462408 396265256 /nfs/dbraw/zinc/26/52/56/396265256.db2.gz DSBIJPUOHWMONH-IAGOWNOFSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000079462408 396265258 /nfs/dbraw/zinc/26/52/58/396265258.db2.gz DSBIJPUOHWMONH-IAGOWNOFSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000079462408 396265260 /nfs/dbraw/zinc/26/52/60/396265260.db2.gz DSBIJPUOHWMONH-IAGOWNOFSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000079462408 396265263 /nfs/dbraw/zinc/26/52/63/396265263.db2.gz DSBIJPUOHWMONH-IAGOWNOFSA-N 2 2 320.481 0.426 20 30 DCEDLP C[N@@H+]1CCN(c2ncc(Br)cc2C#N)[C@@H](C[NH3+])C1 ZINC000311152393 396759861 /nfs/dbraw/zinc/75/98/61/396759861.db2.gz NMKWTANXSZGUSR-NSHDSACASA-N 2 2 310.199 0.795 20 30 DCEDLP C[N@H+]1CCN(c2ncc(Br)cc2C#N)[C@@H](C[NH3+])C1 ZINC000311152393 396759868 /nfs/dbraw/zinc/75/98/68/396759868.db2.gz NMKWTANXSZGUSR-NSHDSACASA-N 2 2 310.199 0.795 20 30 DCEDLP Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c(C#N)c[nH+]1 ZINC000601177835 397017087 /nfs/dbraw/zinc/01/70/87/397017087.db2.gz AFXDUPPDNPFCKM-INIZCTEOSA-N 2 2 313.405 0.791 20 30 DCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390092542 397300416 /nfs/dbraw/zinc/30/04/16/397300416.db2.gz FJWRVOYCQWPAIO-JKSUJKDBSA-N 2 2 318.421 0.133 20 30 DCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000390092542 397300419 /nfs/dbraw/zinc/30/04/19/397300419.db2.gz FJWRVOYCQWPAIO-JKSUJKDBSA-N 2 2 318.421 0.133 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000490935290 397499185 /nfs/dbraw/zinc/49/91/85/397499185.db2.gz MDMTZYGLZXKTMP-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC2)cn1 ZINC000594439123 397551340 /nfs/dbraw/zinc/55/13/40/397551340.db2.gz OOWKYEHUNXYXHG-HNNXBMFYSA-N 2 2 318.425 0.476 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000287588558 415671333 /nfs/dbraw/zinc/67/13/33/415671333.db2.gz XVVODMQMMHTWGN-UHFFFAOYSA-N 2 2 315.421 0.609 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(CC)n2)CC1 ZINC000287588558 415671334 /nfs/dbraw/zinc/67/13/34/415671334.db2.gz XVVODMQMMHTWGN-UHFFFAOYSA-N 2 2 315.421 0.609 20 30 DCEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000118842484 415737464 /nfs/dbraw/zinc/73/74/64/415737464.db2.gz JNTYSRWYDNPKJJ-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCC[NH+](C)C1 ZINC000118842484 415737472 /nfs/dbraw/zinc/73/74/72/415737472.db2.gz JNTYSRWYDNPKJJ-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC000118842484 415737475 /nfs/dbraw/zinc/73/74/75/415737475.db2.gz JNTYSRWYDNPKJJ-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842484 415737480 /nfs/dbraw/zinc/73/74/80/415737480.db2.gz JNTYSRWYDNPKJJ-HNNXBMFYSA-N 2 2 305.426 0.916 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154011077 415988917 /nfs/dbraw/zinc/98/89/17/415988917.db2.gz HVFYSSDGVLSFTB-BBWFWOEESA-N 2 2 320.481 0.615 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154011077 415988919 /nfs/dbraw/zinc/98/89/19/415988919.db2.gz HVFYSSDGVLSFTB-BBWFWOEESA-N 2 2 320.481 0.615 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000153883105 415990054 /nfs/dbraw/zinc/99/00/54/415990054.db2.gz AIJFPNFMCQXELQ-KRWDZBQOSA-N 2 2 312.417 0.996 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000153883105 415990058 /nfs/dbraw/zinc/99/00/58/415990058.db2.gz AIJFPNFMCQXELQ-KRWDZBQOSA-N 2 2 312.417 0.996 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000329774928 416190798 /nfs/dbraw/zinc/19/07/98/416190798.db2.gz MPXNVXTWOUPNJN-UMVBOHGHSA-N 2 2 310.442 0.693 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000329774928 416190800 /nfs/dbraw/zinc/19/08/00/416190800.db2.gz MPXNVXTWOUPNJN-UMVBOHGHSA-N 2 2 310.442 0.693 20 30 DCEDLP Cc1[nH+]ccn1CCC[NH+]=C([O-])N1CC[NH+](CC(C)(C)O)CC1 ZINC000330419847 416207067 /nfs/dbraw/zinc/20/70/67/416207067.db2.gz CQUCIFIUPXCWIA-UHFFFAOYSA-N 2 2 323.441 0.884 20 30 DCEDLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000330419847 416207069 /nfs/dbraw/zinc/20/70/69/416207069.db2.gz CQUCIFIUPXCWIA-UHFFFAOYSA-N 2 2 323.441 0.884 20 30 DCEDLP C[C@H]1C[N@H+](CCN(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000191525905 416286446 /nfs/dbraw/zinc/28/64/46/416286446.db2.gz WWDSFICASPWFHY-INIZCTEOSA-N 2 2 310.442 0.255 20 30 DCEDLP C[C@H]1C[N@@H+](CCN(CCC#N)CC[NH+]2CCOCC2)CCO1 ZINC000191525905 416286447 /nfs/dbraw/zinc/28/64/47/416286447.db2.gz WWDSFICASPWFHY-INIZCTEOSA-N 2 2 310.442 0.255 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N(C)Cc1ccon1 ZINC000261864964 416335865 /nfs/dbraw/zinc/33/58/65/416335865.db2.gz ZWOGAPLMZQMKJK-UHFFFAOYSA-N 2 2 309.414 0.793 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N(C)Cc1ccon1 ZINC000261864964 416335866 /nfs/dbraw/zinc/33/58/66/416335866.db2.gz ZWOGAPLMZQMKJK-UHFFFAOYSA-N 2 2 309.414 0.793 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491327544 416595468 /nfs/dbraw/zinc/59/54/68/416595468.db2.gz WIKZFGFKUZDVHP-CVEARBPZSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491327544 416595470 /nfs/dbraw/zinc/59/54/70/416595470.db2.gz WIKZFGFKUZDVHP-CVEARBPZSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1 ZINC000490760454 416574867 /nfs/dbraw/zinc/57/48/67/416574867.db2.gz LITLMHXUUKMPPG-SFHVURJKSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)CC1 ZINC000490760454 416574871 /nfs/dbraw/zinc/57/48/71/416574871.db2.gz LITLMHXUUKMPPG-SFHVURJKSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccccc2C)CC1 ZINC000490934513 416578828 /nfs/dbraw/zinc/57/88/28/416578828.db2.gz ITXFGRVZICQNRJ-KRWDZBQOSA-N 2 2 315.417 0.395 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000490949503 416580989 /nfs/dbraw/zinc/58/09/89/416580989.db2.gz KZLQVTBMMSPVIM-MRXNPFEDSA-N 2 2 301.390 0.087 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491729785 416620554 /nfs/dbraw/zinc/62/05/54/416620554.db2.gz NVUKNSCLSVYAKR-WBVHZDCISA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000491729785 416620558 /nfs/dbraw/zinc/62/05/58/416620558.db2.gz NVUKNSCLSVYAKR-WBVHZDCISA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000491747931 416622963 /nfs/dbraw/zinc/62/29/63/416622963.db2.gz DCOFXDLBOGEDDT-IRXDYDNUSA-N 2 2 315.417 0.351 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000491747931 416622965 /nfs/dbraw/zinc/62/29/65/416622965.db2.gz DCOFXDLBOGEDDT-IRXDYDNUSA-N 2 2 315.417 0.351 20 30 DCEDLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCN(C)CC1 ZINC000565714341 417009557 /nfs/dbraw/zinc/00/95/57/417009557.db2.gz IWLPCMMJRXICJY-HUUCEWRRSA-N 2 2 309.458 0.396 20 30 DCEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000566607935 417051894 /nfs/dbraw/zinc/05/18/94/417051894.db2.gz GLYQULOGKCHNSA-JKSUJKDBSA-N 2 2 312.458 0.139 20 30 DCEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000566607935 417051900 /nfs/dbraw/zinc/05/19/00/417051900.db2.gz GLYQULOGKCHNSA-JKSUJKDBSA-N 2 2 312.458 0.139 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576169210 417586015 /nfs/dbraw/zinc/58/60/15/417586015.db2.gz BIHHGLJJLIJFLW-VXGBXAGGSA-N 2 2 305.382 0.610 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000576169210 417586020 /nfs/dbraw/zinc/58/60/20/417586020.db2.gz BIHHGLJJLIJFLW-VXGBXAGGSA-N 2 2 305.382 0.610 20 30 DCEDLP C=CCCn1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nn1 ZINC000655939238 418304497 /nfs/dbraw/zinc/30/44/97/418304497.db2.gz DNGXZEHZQYJWNA-OAHLLOKOSA-N 2 2 316.413 0.742 20 30 DCEDLP C=CCCn1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nn1 ZINC000655939238 418304499 /nfs/dbraw/zinc/30/44/99/418304499.db2.gz DNGXZEHZQYJWNA-OAHLLOKOSA-N 2 2 316.413 0.742 20 30 DCEDLP [O-]C(NCC[NH+]1CCSCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330185579 336121913 /nfs/dbraw/zinc/12/19/13/336121913.db2.gz JDQLANPXEQPXLI-LBPRGKRZSA-N 2 2 309.439 0.750 20 30 DCEDLP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434735241 338224247 /nfs/dbraw/zinc/22/42/47/338224247.db2.gz CFOBGMYNKJJQLZ-HOCLYGCPSA-N 2 2 301.394 0.646 20 30 DCEDLP C[N@H+](CC(=O)NCC#N)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434735241 338224248 /nfs/dbraw/zinc/22/42/48/338224248.db2.gz CFOBGMYNKJJQLZ-HOCLYGCPSA-N 2 2 301.394 0.646 20 30 DCEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434735241 338224249 /nfs/dbraw/zinc/22/42/49/338224249.db2.gz CFOBGMYNKJJQLZ-HOCLYGCPSA-N 2 2 301.394 0.646 20 30 DCEDLP C[NH+](CC(=O)NCC#N)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434735241 338224250 /nfs/dbraw/zinc/22/42/50/338224250.db2.gz CFOBGMYNKJJQLZ-HOCLYGCPSA-N 2 2 301.394 0.646 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@@H](O)CC)CC1 ZINC000304734549 340368187 /nfs/dbraw/zinc/36/81/87/340368187.db2.gz RWQDYDJDNYYLDY-HOTGVXAUSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)CC)CC1 ZINC000304734549 340368188 /nfs/dbraw/zinc/36/81/88/340368188.db2.gz RWQDYDJDNYYLDY-HOTGVXAUSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=C)Cl ZINC001569935144 1161332127 /nfs/dbraw/zinc/33/21/27/1161332127.db2.gz XAYCUOMOFHCEBC-AWEZNQCLSA-N 2 2 313.829 0.247 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=C)Cl ZINC001569935144 1161332139 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2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001014780173 667102487 /nfs/dbraw/zinc/10/24/87/667102487.db2.gz QPBVCSRKWWMANP-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001014780173 667102490 /nfs/dbraw/zinc/10/24/90/667102490.db2.gz QPBVCSRKWWMANP-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001014780173 667102491 /nfs/dbraw/zinc/10/24/91/667102491.db2.gz QPBVCSRKWWMANP-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](CC)OC ZINC001032453504 667275091 /nfs/dbraw/zinc/27/50/91/667275091.db2.gz BYSMBHUHVOWQBY-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](CC)OC ZINC001032453504 667275092 /nfs/dbraw/zinc/27/50/92/667275092.db2.gz BYSMBHUHVOWQBY-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](CC)OC ZINC001032453504 667275095 /nfs/dbraw/zinc/27/50/95/667275095.db2.gz BYSMBHUHVOWQBY-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](CC)OC ZINC001032453504 667275097 /nfs/dbraw/zinc/27/50/97/667275097.db2.gz BYSMBHUHVOWQBY-NXOAAHMSSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001035366748 667306867 /nfs/dbraw/zinc/30/68/67/667306867.db2.gz QTOPMKOKMMKOJG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035366748 667306870 /nfs/dbraw/zinc/30/68/70/667306870.db2.gz QTOPMKOKMMKOJG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035366748 667306873 /nfs/dbraw/zinc/30/68/73/667306873.db2.gz QTOPMKOKMMKOJG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035366748 667306876 /nfs/dbraw/zinc/30/68/76/667306876.db2.gz QTOPMKOKMMKOJG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC)CCO1 ZINC001035400786 667325258 /nfs/dbraw/zinc/32/52/58/667325258.db2.gz SCHVHIXQYFGTQC-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC)CCO1 ZINC001035400786 667325261 /nfs/dbraw/zinc/32/52/61/667325261.db2.gz SCHVHIXQYFGTQC-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC)CCO1 ZINC001035400786 667325264 /nfs/dbraw/zinc/32/52/64/667325264.db2.gz SCHVHIXQYFGTQC-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC)CCO1 ZINC001035400786 667325267 /nfs/dbraw/zinc/32/52/67/667325267.db2.gz SCHVHIXQYFGTQC-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946859425 667461697 /nfs/dbraw/zinc/46/16/97/667461697.db2.gz UQCXUUWYNDYDED-GASCZTMLSA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946859425 667461698 /nfs/dbraw/zinc/46/16/98/667461698.db2.gz UQCXUUWYNDYDED-GASCZTMLSA-N 2 2 300.406 0.766 20 30 DCEDLP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)Cn1cc[nH+]c1 ZINC000884196187 667495035 /nfs/dbraw/zinc/49/50/35/667495035.db2.gz KHKVPPMKYJYJGB-RXFTYZNJSA-N 2 2 301.394 0.775 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000884205999 667498423 /nfs/dbraw/zinc/49/84/23/667498423.db2.gz KIWGMTGJOHYDFE-ZDUSSCGKSA-N 2 2 318.425 0.383 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000884205999 667498426 /nfs/dbraw/zinc/49/84/26/667498426.db2.gz KIWGMTGJOHYDFE-ZDUSSCGKSA-N 2 2 318.425 0.383 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000884612104 667575873 /nfs/dbraw/zinc/57/58/73/667575873.db2.gz DAVAQEPIGAARRV-CQSZACIVSA-N 2 2 301.394 0.823 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000884612104 667575875 /nfs/dbraw/zinc/57/58/75/667575875.db2.gz DAVAQEPIGAARRV-CQSZACIVSA-N 2 2 301.394 0.823 20 30 DCEDLP C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000745823845 667856436 /nfs/dbraw/zinc/85/64/36/667856436.db2.gz SOPQAZZVUIOXKP-MRXNPFEDSA-N 2 2 316.449 0.823 20 30 DCEDLP C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000745823845 667856438 /nfs/dbraw/zinc/85/64/38/667856438.db2.gz SOPQAZZVUIOXKP-MRXNPFEDSA-N 2 2 316.449 0.823 20 30 DCEDLP C#CCN(CC#CC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000745823844 667856578 /nfs/dbraw/zinc/85/65/78/667856578.db2.gz SOPQAZZVUIOXKP-INIZCTEOSA-N 2 2 316.449 0.823 20 30 DCEDLP C#CCN(CC#CC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000745823844 667856582 /nfs/dbraw/zinc/85/65/82/667856582.db2.gz SOPQAZZVUIOXKP-INIZCTEOSA-N 2 2 316.449 0.823 20 30 DCEDLP C=CCN1CC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000761181536 668310639 /nfs/dbraw/zinc/31/06/39/668310639.db2.gz CCILYICXDCNFAR-UHFFFAOYSA-N 2 2 320.437 0.995 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](CC)OC)CC1 ZINC000948825954 670187933 /nfs/dbraw/zinc/18/79/33/670187933.db2.gz ZVGJQQOPUGZOLC-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](CC)OC)CC1 ZINC000948825954 670187934 /nfs/dbraw/zinc/18/79/34/670187934.db2.gz ZVGJQQOPUGZOLC-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C=C(C)C[NH+]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000951635682 670323942 /nfs/dbraw/zinc/32/39/42/670323942.db2.gz DKBTUUPOYNTRFS-UHFFFAOYSA-N 2 2 305.426 0.779 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@@H]3CCSC3)cn2)CC1 ZINC000807999715 670383880 /nfs/dbraw/zinc/38/38/80/670383880.db2.gz VGMKWKOWJBTXBM-CYBMUJFWSA-N 2 2 306.439 0.657 20 30 DCEDLP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958182706 687414436 /nfs/dbraw/zinc/41/44/36/687414436.db2.gz FMQRZLKEPDKTID-BBRMVZONSA-N 2 2 312.373 0.609 20 30 DCEDLP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958182706 687414441 /nfs/dbraw/zinc/41/44/41/687414441.db2.gz FMQRZLKEPDKTID-BBRMVZONSA-N 2 2 312.373 0.609 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960700447 688439709 /nfs/dbraw/zinc/43/97/09/688439709.db2.gz RCNWQBNUENJRDP-NHAGDIPZSA-N 2 2 304.394 0.972 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960700447 688439712 /nfs/dbraw/zinc/43/97/12/688439712.db2.gz RCNWQBNUENJRDP-NHAGDIPZSA-N 2 2 304.394 0.972 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000961578538 688659915 /nfs/dbraw/zinc/65/99/15/688659915.db2.gz ZUENQYOGOUKHMD-TWMKSMIVSA-N 2 2 317.433 0.309 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000961578538 688659917 /nfs/dbraw/zinc/65/99/17/688659917.db2.gz ZUENQYOGOUKHMD-TWMKSMIVSA-N 2 2 317.433 0.309 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000961578538 688659921 /nfs/dbraw/zinc/65/99/21/688659921.db2.gz ZUENQYOGOUKHMD-TWMKSMIVSA-N 2 2 317.433 0.309 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000961578538 688659924 /nfs/dbraw/zinc/65/99/24/688659924.db2.gz ZUENQYOGOUKHMD-TWMKSMIVSA-N 2 2 317.433 0.309 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350745 694344455 /nfs/dbraw/zinc/34/44/55/694344455.db2.gz MEEJXFUOZOSBBI-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350745 694344459 /nfs/dbraw/zinc/34/44/59/694344459.db2.gz MEEJXFUOZOSBBI-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039350745 694344463 /nfs/dbraw/zinc/34/44/63/694344463.db2.gz MEEJXFUOZOSBBI-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039350745 694344466 /nfs/dbraw/zinc/34/44/66/694344466.db2.gz MEEJXFUOZOSBBI-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001018985891 693307380 /nfs/dbraw/zinc/30/73/80/693307380.db2.gz KYXIQOJLCYCJDW-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2coc(C)n2)C1 ZINC001018985891 693307385 /nfs/dbraw/zinc/30/73/85/693307385.db2.gz KYXIQOJLCYCJDW-HOCLYGCPSA-N 2 2 316.405 0.771 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664686 694762196 /nfs/dbraw/zinc/76/21/96/694762196.db2.gz NADZSGVVCAZAGU-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001073664686 694762197 /nfs/dbraw/zinc/76/21/97/694762197.db2.gz NADZSGVVCAZAGU-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670203 694763115 /nfs/dbraw/zinc/76/31/15/694763115.db2.gz FMBJEQHRTQGLIN-ZBFHGGJFSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001073670203 694763117 /nfs/dbraw/zinc/76/31/17/694763117.db2.gz FMBJEQHRTQGLIN-ZBFHGGJFSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001570898792 1162645204 /nfs/dbraw/zinc/64/52/04/1162645204.db2.gz BDWYSSDXCWGVLQ-HNNXBMFYSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001570898792 1162645208 /nfs/dbraw/zinc/64/52/08/1162645208.db2.gz BDWYSSDXCWGVLQ-HNNXBMFYSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001570979508 1162660272 /nfs/dbraw/zinc/66/02/72/1162660272.db2.gz UPDNMFXLXDSSGQ-CABCVRRESA-N 2 2 318.421 0.765 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001671569297 1157478098 /nfs/dbraw/zinc/47/80/98/1157478098.db2.gz BYAZKOJUZGQREO-INIZCTEOSA-N 2 2 318.421 0.798 20 30 DCEDLP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001691282241 1157630248 /nfs/dbraw/zinc/63/02/48/1157630248.db2.gz CRHBOTNRYIVMBC-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001691282241 1157630251 /nfs/dbraw/zinc/63/02/51/1157630251.db2.gz CRHBOTNRYIVMBC-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP CC#CC[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001700981463 1158156974 /nfs/dbraw/zinc/15/69/74/1158156974.db2.gz VLQCUMQFRBNBPP-INIZCTEOSA-N 2 2 309.454 0.899 20 30 DCEDLP CC#CC[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001700981463 1158156982 /nfs/dbraw/zinc/15/69/82/1158156982.db2.gz VLQCUMQFRBNBPP-INIZCTEOSA-N 2 2 309.454 0.899 20 30 DCEDLP CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001700981463 1158156984 /nfs/dbraw/zinc/15/69/84/1158156984.db2.gz VLQCUMQFRBNBPP-INIZCTEOSA-N 2 2 309.454 0.899 20 30 DCEDLP CC#CC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001700981463 1158156985 /nfs/dbraw/zinc/15/69/85/1158156985.db2.gz VLQCUMQFRBNBPP-INIZCTEOSA-N 2 2 309.454 0.899 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001567230640 1160279732 /nfs/dbraw/zinc/27/97/32/1160279732.db2.gz NFUMKHZABHULDJ-RBSFLKMASA-N 2 2 318.421 0.658 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568282838 1160620037 /nfs/dbraw/zinc/62/00/37/1160620037.db2.gz RGVBHAKKVZXBKI-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnsn1 ZINC001568642467 1160720552 /nfs/dbraw/zinc/72/05/52/1160720552.db2.gz OSGSLIRQZWAFRF-OCCSQVGLSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnsn1 ZINC001568642467 1160720558 /nfs/dbraw/zinc/72/05/58/1160720558.db2.gz OSGSLIRQZWAFRF-OCCSQVGLSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001569401252 1161046305 /nfs/dbraw/zinc/04/63/05/1161046305.db2.gz KYEYEOURECWCDH-AWEZNQCLSA-N 2 2 301.394 0.662 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001569401252 1161046313 /nfs/dbraw/zinc/04/63/13/1161046313.db2.gz KYEYEOURECWCDH-AWEZNQCLSA-N 2 2 301.394 0.662 20 30 DCEDLP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001569675475 1161190363 /nfs/dbraw/zinc/19/03/63/1161190363.db2.gz YHOTXQMNHHSUNN-YOEHRIQHSA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001626673594 1171486668 /nfs/dbraw/zinc/48/66/68/1171486668.db2.gz GXTVLKLPIVOAFI-HNNXBMFYSA-N 2 2 313.467 0.428 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001661895504 1174169460 /nfs/dbraw/zinc/16/94/60/1174169460.db2.gz GIHNKXFVKADGNN-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001661895504 1174169463 /nfs/dbraw/zinc/16/94/63/1174169463.db2.gz GIHNKXFVKADGNN-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001661895504 1174169466 /nfs/dbraw/zinc/16/94/66/1174169466.db2.gz GIHNKXFVKADGNN-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001661895504 1174169467 /nfs/dbraw/zinc/16/94/67/1174169467.db2.gz GIHNKXFVKADGNN-OAHLLOKOSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663508875 1174312537 /nfs/dbraw/zinc/31/25/37/1174312537.db2.gz VBMOOJHTSNPISW-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663508875 1174312541 /nfs/dbraw/zinc/31/25/41/1174312541.db2.gz VBMOOJHTSNPISW-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001663508875 1174312547 /nfs/dbraw/zinc/31/25/47/1174312547.db2.gz VBMOOJHTSNPISW-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001663508875 1174312553 /nfs/dbraw/zinc/31/25/53/1174312553.db2.gz VBMOOJHTSNPISW-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001664771942 1174457178 /nfs/dbraw/zinc/45/71/78/1174457178.db2.gz LAPNLSLORUOAII-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001664771942 1174457184 /nfs/dbraw/zinc/45/71/84/1174457184.db2.gz LAPNLSLORUOAII-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001672487713 1175115306 /nfs/dbraw/zinc/11/53/06/1175115306.db2.gz WVCBEACDSYYFJQ-GOEBONIOSA-N 2 2 313.417 0.243 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001672487713 1175115310 /nfs/dbraw/zinc/11/53/10/1175115310.db2.gz WVCBEACDSYYFJQ-GOEBONIOSA-N 2 2 313.417 0.243 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001672537455 1175123051 /nfs/dbraw/zinc/12/30/51/1175123051.db2.gz IBGOGORJPSCLFJ-CVEARBPZSA-N 2 2 316.405 0.667 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001672537455 1175123054 /nfs/dbraw/zinc/12/30/54/1175123054.db2.gz IBGOGORJPSCLFJ-CVEARBPZSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001677497121 1175569730 /nfs/dbraw/zinc/56/97/30/1175569730.db2.gz PNHPWYWEMFLWHI-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001689246318 1176763263 /nfs/dbraw/zinc/76/32/63/1176763263.db2.gz GIXRJJXUDZPRAZ-UHFFFAOYSA-N 2 2 320.437 0.967 20 30 DCEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001689246318 1176763270 /nfs/dbraw/zinc/76/32/70/1176763270.db2.gz GIXRJJXUDZPRAZ-UHFFFAOYSA-N 2 2 320.437 0.967 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC001698551827 1177542517 /nfs/dbraw/zinc/54/25/17/1177542517.db2.gz PGCVNRCAFOHACC-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC001698551827 1177542523 /nfs/dbraw/zinc/54/25/23/1177542523.db2.gz PGCVNRCAFOHACC-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC001698551827 1177542531 /nfs/dbraw/zinc/54/25/31/1177542531.db2.gz PGCVNRCAFOHACC-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC(C)C)C1 ZINC001698551827 1177542537 /nfs/dbraw/zinc/54/25/37/1177542537.db2.gz PGCVNRCAFOHACC-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001698828117 1177684613 /nfs/dbraw/zinc/68/46/13/1177684613.db2.gz GPOBFQGVHMXQGZ-GJZGRUSLSA-N 2 2 315.421 0.511 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001698828117 1177684617 /nfs/dbraw/zinc/68/46/17/1177684617.db2.gz GPOBFQGVHMXQGZ-GJZGRUSLSA-N 2 2 315.421 0.511 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001699853612 1178318860 /nfs/dbraw/zinc/31/88/60/1178318860.db2.gz JSPRTTULOQADKH-KRWDZBQOSA-N 2 2 318.421 0.739 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001700605839 1178677397 /nfs/dbraw/zinc/67/73/97/1178677397.db2.gz VGAUZTZGNXHWQK-CJNGLKHVSA-N 2 2 317.389 0.471 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700964886 1178845280 /nfs/dbraw/zinc/84/52/80/1178845280.db2.gz RRRYWGBDERSGLP-AWEZNQCLSA-N 2 2 314.389 0.951 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700964886 1178845297 /nfs/dbraw/zinc/84/52/97/1178845297.db2.gz RRRYWGBDERSGLP-AWEZNQCLSA-N 2 2 314.389 0.951 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC001707153088 1180424325 /nfs/dbraw/zinc/42/43/25/1180424325.db2.gz PTQSXRUJZTVOBG-HUUCEWRRSA-N 2 2 306.410 0.912 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713086886 1180676798 /nfs/dbraw/zinc/67/67/98/1180676798.db2.gz RDKUUEUDZRRCSK-GJZGRUSLSA-N 2 2 304.394 0.675 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001713086886 1180676800 /nfs/dbraw/zinc/67/68/00/1180676800.db2.gz RDKUUEUDZRRCSK-GJZGRUSLSA-N 2 2 304.394 0.675 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001713360502 1180785490 /nfs/dbraw/zinc/78/54/90/1180785490.db2.gz KISBUQFJGSWWPL-CQSZACIVSA-N 2 2 304.394 0.051 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001713758852 1181051186 /nfs/dbraw/zinc/05/11/86/1181051186.db2.gz UTQSGYPYRSOFJX-INIZCTEOSA-N 2 2 321.465 0.901 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001713758852 1181051190 /nfs/dbraw/zinc/05/11/90/1181051190.db2.gz UTQSGYPYRSOFJX-INIZCTEOSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001714583288 1181426278 /nfs/dbraw/zinc/42/62/78/1181426278.db2.gz DQQPBWVOGRWLAZ-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001714583288 1181426281 /nfs/dbraw/zinc/42/62/81/1181426281.db2.gz DQQPBWVOGRWLAZ-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714583288 1181426284 /nfs/dbraw/zinc/42/62/84/1181426284.db2.gz DQQPBWVOGRWLAZ-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714583288 1181426286 /nfs/dbraw/zinc/42/62/86/1181426286.db2.gz DQQPBWVOGRWLAZ-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001715236553 1181726861 /nfs/dbraw/zinc/72/68/61/1181726861.db2.gz BBKITGQPHZPJLN-LSDHHAIUSA-N 2 2 318.421 0.437 20 30 DCEDLP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001715276542 1181749374 /nfs/dbraw/zinc/74/93/74/1181749374.db2.gz IIFUPNKBYHKSLS-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001715276542 1181749382 /nfs/dbraw/zinc/74/93/82/1181749382.db2.gz IIFUPNKBYHKSLS-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001715276542 1181749390 /nfs/dbraw/zinc/74/93/90/1181749390.db2.gz IIFUPNKBYHKSLS-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001715276542 1181749397 /nfs/dbraw/zinc/74/93/97/1181749397.db2.gz IIFUPNKBYHKSLS-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001717368528 1182805534 /nfs/dbraw/zinc/80/55/34/1182805534.db2.gz CSOKADMJOFWJJP-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001717368528 1182805540 /nfs/dbraw/zinc/80/55/40/1182805540.db2.gz CSOKADMJOFWJJP-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001717510568 1182876304 /nfs/dbraw/zinc/87/63/04/1182876304.db2.gz FEVIILGILDRPMR-UHFFFAOYSA-N 2 2 321.465 0.829 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001725698214 1184950345 /nfs/dbraw/zinc/95/03/45/1184950345.db2.gz RUOMHSQUGJQKDD-CABCVRRESA-N 2 2 320.437 0.821 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725715369 1184965810 /nfs/dbraw/zinc/96/58/10/1184965810.db2.gz FSJBSWKDZASDGK-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001725715369 1184965814 /nfs/dbraw/zinc/96/58/14/1184965814.db2.gz FSJBSWKDZASDGK-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725715369 1184965818 /nfs/dbraw/zinc/96/58/18/1184965818.db2.gz FSJBSWKDZASDGK-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001725715369 1184965821 /nfs/dbraw/zinc/96/58/21/1184965821.db2.gz FSJBSWKDZASDGK-MGPQQGTHSA-N 2 2 306.410 0.840 20 30 DCEDLP C#CCN1CC[NH+](CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001731360447 1185293898 /nfs/dbraw/zinc/29/38/98/1185293898.db2.gz ZYOXYPBPEJXWQG-UHFFFAOYSA-N 2 2 303.410 0.030 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731688313 1185445042 /nfs/dbraw/zinc/44/50/42/1185445042.db2.gz XVESLJSLIJFHCU-KBPBESRZSA-N 2 2 319.409 0.012 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731854322 1185529254 /nfs/dbraw/zinc/52/92/54/1185529254.db2.gz FLMASBWXCBJAMP-QWHCGFSZSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731854322 1185529261 /nfs/dbraw/zinc/52/92/61/1185529261.db2.gz FLMASBWXCBJAMP-QWHCGFSZSA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001732040769 1185642805 /nfs/dbraw/zinc/64/28/05/1185642805.db2.gz LEWSJVAPJCQDIS-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001732040769 1185642807 /nfs/dbraw/zinc/64/28/07/1185642807.db2.gz LEWSJVAPJCQDIS-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732644963 1185892479 /nfs/dbraw/zinc/89/24/79/1185892479.db2.gz KYHGFZCVAXTWFJ-CQSZACIVSA-N 2 2 308.426 0.960 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nonc1C ZINC001733107448 1186142720 /nfs/dbraw/zinc/14/27/20/1186142720.db2.gz YVVPZDJSXOSFPC-HNNXBMFYSA-N 2 2 319.409 0.414 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nonc1C ZINC001733107448 1186142728 /nfs/dbraw/zinc/14/27/28/1186142728.db2.gz YVVPZDJSXOSFPC-HNNXBMFYSA-N 2 2 319.409 0.414 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001733830893 1186466109 /nfs/dbraw/zinc/46/61/09/1186466109.db2.gz OWSPZLSPAAUANF-CQSZACIVSA-N 2 2 316.405 0.334 20 30 DCEDLP C#CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001734039178 1186526605 /nfs/dbraw/zinc/52/66/05/1186526605.db2.gz WTJXZCHBZZNTOV-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001734039178 1186526608 /nfs/dbraw/zinc/52/66/08/1186526608.db2.gz WTJXZCHBZZNTOV-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@@H+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001734039178 1186526610 /nfs/dbraw/zinc/52/66/10/1186526610.db2.gz WTJXZCHBZZNTOV-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C#CC[N@H+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001734039178 1186526612 /nfs/dbraw/zinc/52/66/12/1186526612.db2.gz WTJXZCHBZZNTOV-IUODEOHRSA-N 2 2 303.410 0.860 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001753416706 1188588166 /nfs/dbraw/zinc/58/81/66/1188588166.db2.gz DRLXWJAYRRHONQ-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001754280433 1188807600 /nfs/dbraw/zinc/80/76/00/1188807600.db2.gz UXUMKDPCAADCMB-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001754280433 1188807601 /nfs/dbraw/zinc/80/76/01/1188807601.db2.gz UXUMKDPCAADCMB-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 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DCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC#CCOC ZINC001489106002 949492650 /nfs/dbraw/zinc/49/26/50/949492650.db2.gz LJLYCENBNZSZHO-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CC#CCOC ZINC001489106002 949492674 /nfs/dbraw/zinc/49/26/74/949492674.db2.gz LJLYCENBNZSZHO-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CC#CCOC ZINC001489106002 949492687 /nfs/dbraw/zinc/49/26/87/949492687.db2.gz LJLYCENBNZSZHO-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CC#CCOC ZINC001489106002 949492698 /nfs/dbraw/zinc/49/26/98/949492698.db2.gz LJLYCENBNZSZHO-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265878271 950075869 /nfs/dbraw/zinc/07/58/69/950075869.db2.gz ZADOPSRZFNCPRS-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265878271 950075889 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/nfs/dbraw/zinc/32/31/23/954323123.db2.gz IDVHCKHEIBXYDJ-CQSZACIVSA-N 2 2 322.434 0.498 20 30 DCEDLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366521104 954323137 /nfs/dbraw/zinc/32/31/37/954323137.db2.gz IDVHCKHEIBXYDJ-CQSZACIVSA-N 2 2 322.434 0.498 20 30 DCEDLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366521104 954323147 /nfs/dbraw/zinc/32/31/47/954323147.db2.gz IDVHCKHEIBXYDJ-CQSZACIVSA-N 2 2 322.434 0.498 20 30 DCEDLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1ccc(C#N)s1 ZINC001366521104 954323163 /nfs/dbraw/zinc/32/31/63/954323163.db2.gz IDVHCKHEIBXYDJ-CQSZACIVSA-N 2 2 322.434 0.498 20 30 DCEDLP C#CC[NH2+]CCCOCCNC(=O)c1cccc2[nH+]ccn21 ZINC001283470509 954371083 /nfs/dbraw/zinc/37/10/83/954371083.db2.gz CVSPTBOGKVRHDJ-UHFFFAOYSA-N 2 2 300.362 0.694 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001284501391 955134624 /nfs/dbraw/zinc/13/46/24/955134624.db2.gz CXMUBFAFDFDREH-UKRRQHHQSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001284501391 955134630 /nfs/dbraw/zinc/13/46/30/955134630.db2.gz CXMUBFAFDFDREH-UKRRQHHQSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316638516 955570782 /nfs/dbraw/zinc/57/07/82/955570782.db2.gz AVHTYGKATYIOST-JOCQHMNTSA-N 2 2 319.409 0.047 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC001353580962 956113531 /nfs/dbraw/zinc/11/35/31/956113531.db2.gz FBRFAIFYNBHROO-MRXNPFEDSA-N 2 2 314.433 0.536 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001367630141 958224550 /nfs/dbraw/zinc/22/45/50/958224550.db2.gz OTRLGJOHAMSANW-OAHLLOKOSA-N 2 2 313.361 0.022 20 30 DCEDLP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316750651 960366319 /nfs/dbraw/zinc/36/63/19/960366319.db2.gz UEKVAZPDGFMMFR-RBSFLKMASA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316750651 960366325 /nfs/dbraw/zinc/36/63/25/960366325.db2.gz UEKVAZPDGFMMFR-RBSFLKMASA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316750651 960366330 /nfs/dbraw/zinc/36/63/30/960366330.db2.gz UEKVAZPDGFMMFR-RBSFLKMASA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001502592559 1015988200 /nfs/dbraw/zinc/98/82/00/1015988200.db2.gz SOXDLVAOAMIKPW-GOEBONIOSA-N 2 2 306.410 0.963 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001420139623 1001928511 /nfs/dbraw/zinc/92/85/11/1001928511.db2.gz DBPOWFYPQVHYSQ-DGCLKSJQSA-N 2 2 312.801 0.265 20 30 DCEDLP N#Cc1cccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001425845176 1003173588 /nfs/dbraw/zinc/17/35/88/1003173588.db2.gz AQNGQLSPJJNQFB-OAHLLOKOSA-N 2 2 313.361 0.022 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001406286416 1003570235 /nfs/dbraw/zinc/57/02/35/1003570235.db2.gz NGOUEMMRBVPMMV-CQSZACIVSA-N 2 2 313.361 0.091 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCOC[C@@H]1Nc1cc[nH+]c(C)n1 ZINC001515001756 1017092941 /nfs/dbraw/zinc/09/29/41/1017092941.db2.gz RSBHRRYQNHKBFR-KGLIPLIRSA-N 2 2 319.409 0.588 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506794663 1017558900 /nfs/dbraw/zinc/55/89/00/1017558900.db2.gz QCLOQIMVYXKHSC-PHZGNYQRSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506794663 1017558905 /nfs/dbraw/zinc/55/89/05/1017558905.db2.gz QCLOQIMVYXKHSC-PHZGNYQRSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001479741961 1017685109 /nfs/dbraw/zinc/68/51/09/1017685109.db2.gz OVFGPNLSTKTNAB-GFCCVEGCSA-N 2 2 318.446 0.702 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001479741961 1017685116 /nfs/dbraw/zinc/68/51/16/1017685116.db2.gz OVFGPNLSTKTNAB-GFCCVEGCSA-N 2 2 318.446 0.702 20 30 DCEDLP COCC#CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001479880290 1017934503 /nfs/dbraw/zinc/93/45/03/1017934503.db2.gz VMICMWJWWCLNEB-UHFFFAOYSA-N 2 2 318.421 0.881 20 30 DCEDLP COCC#CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001479880290 1017934514 /nfs/dbraw/zinc/93/45/14/1017934514.db2.gz VMICMWJWWCLNEB-UHFFFAOYSA-N 2 2 318.421 0.881 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494853780 1018106148 /nfs/dbraw/zinc/10/61/48/1018106148.db2.gz HENCAAYLVZFZEV-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494853780 1018106154 /nfs/dbraw/zinc/10/61/54/1018106154.db2.gz HENCAAYLVZFZEV-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494853780 1018106157 /nfs/dbraw/zinc/10/61/57/1018106157.db2.gz HENCAAYLVZFZEV-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494853780 1018106161 /nfs/dbraw/zinc/10/61/61/1018106161.db2.gz HENCAAYLVZFZEV-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480118302 1018219150 /nfs/dbraw/zinc/21/91/50/1018219150.db2.gz POYSXLSVEUJODE-KGLIPLIRSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480118302 1018219158 /nfs/dbraw/zinc/21/91/58/1018219158.db2.gz POYSXLSVEUJODE-KGLIPLIRSA-N 2 2 306.410 0.981 20 30 DCEDLP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001497799227 1018421810 /nfs/dbraw/zinc/42/18/10/1018421810.db2.gz SUSORSWNEXXHMC-BXUZGUMPSA-N 2 2 322.434 0.545 20 30 DCEDLP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001497799227 1018421818 /nfs/dbraw/zinc/42/18/18/1018421818.db2.gz SUSORSWNEXXHMC-BXUZGUMPSA-N 2 2 322.434 0.545 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363741 1019099830 /nfs/dbraw/zinc/09/98/30/1019099830.db2.gz DYPUPGMCFQBCLK-MRXNPFEDSA-N 2 2 304.394 0.158 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001501363741 1019099846 /nfs/dbraw/zinc/09/98/46/1019099846.db2.gz DYPUPGMCFQBCLK-MRXNPFEDSA-N 2 2 304.394 0.158 20 30 DCEDLP [NH2+]=C(NCC1CCC1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261992399 238169819 /nfs/dbraw/zinc/16/98/19/238169819.db2.gz MOJOOTHRYNAROK-OAHLLOKOSA-N 2 2 312.483 0.899 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000491700137 241130820 /nfs/dbraw/zinc/13/08/20/241130820.db2.gz VHECQWZJDNYVLO-SJORKVTESA-N 2 2 318.465 0.322 20 30 DCEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150703 397108544 /nfs/dbraw/zinc/10/85/44/397108544.db2.gz HKLGMTLRUXZWJZ-MRXNPFEDSA-N 2 2 308.426 0.326 20 30 DCEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150703 397108547 /nfs/dbraw/zinc/10/85/47/397108547.db2.gz HKLGMTLRUXZWJZ-MRXNPFEDSA-N 2 2 308.426 0.326 20 30 DCEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000598597845 397255095 /nfs/dbraw/zinc/25/50/95/397255095.db2.gz UTZYOGKOMNQXGU-LSDHHAIUSA-N 2 2 322.453 0.701 20 30 DCEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000598597845 397255099 /nfs/dbraw/zinc/25/50/99/397255099.db2.gz UTZYOGKOMNQXGU-LSDHHAIUSA-N 2 2 322.453 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)CC1 ZINC000491148208 397500399 /nfs/dbraw/zinc/50/03/99/397500399.db2.gz VAXVLBUXAYRRAM-HNNXBMFYSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)CC1 ZINC000491148208 397500401 /nfs/dbraw/zinc/50/04/01/397500401.db2.gz VAXVLBUXAYRRAM-HNNXBMFYSA-N 2 2 307.438 0.389 20 30 DCEDLP CC1CC[NH+](CC(=O)N(CCC#N)CC[NH+]2CCOCC2)CC1 ZINC000137482640 415963129 /nfs/dbraw/zinc/96/31/29/415963129.db2.gz OAKJRJXPIYQPGP-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP C=C[C@@](C)(O)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000330837695 416241268 /nfs/dbraw/zinc/24/12/68/416241268.db2.gz XUQQXDKZVVWRBY-QGZVFWFLSA-N 2 2 309.454 0.988 20 30 DCEDLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000359749991 416356358 /nfs/dbraw/zinc/35/63/58/416356358.db2.gz XRALXJOTWDGTDW-UHFFFAOYSA-N 2 2 317.437 0.929 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360324293 416386021 /nfs/dbraw/zinc/38/60/21/416386021.db2.gz VLODJEXJRNTDJG-CYBMUJFWSA-N 2 2 308.426 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360324293 416386022 /nfs/dbraw/zinc/38/60/22/416386022.db2.gz VLODJEXJRNTDJG-CYBMUJFWSA-N 2 2 308.426 0.947 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000491440310 416599903 /nfs/dbraw/zinc/59/99/03/416599903.db2.gz OKZRDODOMJXZLS-HZPDHXFCSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000491440310 416599905 /nfs/dbraw/zinc/59/99/05/416599905.db2.gz OKZRDODOMJXZLS-HZPDHXFCSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000491440310 416599907 /nfs/dbraw/zinc/59/99/07/416599907.db2.gz OKZRDODOMJXZLS-HZPDHXFCSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000491440310 416599910 /nfs/dbraw/zinc/59/99/10/416599910.db2.gz OKZRDODOMJXZLS-HZPDHXFCSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CC2(O)CCCCCC2)CC1 ZINC000491023700 416582862 /nfs/dbraw/zinc/58/28/62/416582862.db2.gz YPWSFTLWXPYXLG-UHFFFAOYSA-N 2 2 321.465 0.781 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CC2(O)CCCCCC2)CC1 ZINC000491023700 416582865 /nfs/dbraw/zinc/58/28/65/416582865.db2.gz YPWSFTLWXPYXLG-UHFFFAOYSA-N 2 2 321.465 0.781 20 30 DCEDLP CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645294737 417727214 /nfs/dbraw/zinc/72/72/14/417727214.db2.gz JSAUKCTXICZNQD-HUUCEWRRSA-N 2 2 322.453 0.228 20 30 DCEDLP CC#CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645294737 417727219 /nfs/dbraw/zinc/72/72/19/417727219.db2.gz JSAUKCTXICZNQD-HUUCEWRRSA-N 2 2 322.453 0.228 20 30 DCEDLP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000328813605 289231860 /nfs/dbraw/zinc/23/18/60/289231860.db2.gz NJWFCVFQKZXXME-CHWSQXEVSA-N 2 2 317.455 0.073 20 30 DCEDLP [O-]C(NCC[NH+]1CCSCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330185578 336121808 /nfs/dbraw/zinc/12/18/08/336121808.db2.gz JDQLANPXEQPXLI-GFCCVEGCSA-N 2 2 309.439 0.750 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)NCc1c(C)nn(C)c1C ZINC000262820750 526359197 /nfs/dbraw/zinc/35/91/97/526359197.db2.gz YEXMAGLSYCPGTJ-UHFFFAOYSA-N 2 2 324.498 0.751 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000171738734 526438965 /nfs/dbraw/zinc/43/89/65/526438965.db2.gz WKVPSXGBCBUJNN-OAHLLOKOSA-N 2 2 323.485 0.572 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365650505 526589698 /nfs/dbraw/zinc/58/96/98/526589698.db2.gz RRAWPASKRJHPKF-LBPRGKRZSA-N 2 2 305.382 0.611 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365650505 526589703 /nfs/dbraw/zinc/58/97/03/526589703.db2.gz RRAWPASKRJHPKF-LBPRGKRZSA-N 2 2 305.382 0.611 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158567053 526603061 /nfs/dbraw/zinc/60/30/61/526603061.db2.gz BBEODCWARAZHOJ-MGPQQGTHSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158567053 526603068 /nfs/dbraw/zinc/60/30/68/526603068.db2.gz BBEODCWARAZHOJ-MGPQQGTHSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158567053 526603073 /nfs/dbraw/zinc/60/30/73/526603073.db2.gz BBEODCWARAZHOJ-MGPQQGTHSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158567053 526603076 /nfs/dbraw/zinc/60/30/76/526603076.db2.gz BBEODCWARAZHOJ-MGPQQGTHSA-N 2 2 308.426 0.803 20 30 DCEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCCCn2cc[nH+]c2)CC1 ZINC000264074072 528951150 /nfs/dbraw/zinc/95/11/50/528951150.db2.gz GVTBJWAEYGLZGO-UHFFFAOYSA-N 2 2 322.413 0.798 20 30 DCEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000264122986 529176742 /nfs/dbraw/zinc/17/67/42/529176742.db2.gz RLAONEVFXSPYGW-OAHLLOKOSA-N 2 2 306.410 0.669 20 30 DCEDLP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000328729921 546039053 /nfs/dbraw/zinc/03/90/53/546039053.db2.gz WFZKUZDXWUYVIZ-LSDHHAIUSA-N 2 2 312.458 0.943 20 30 DCEDLP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000328729921 546039060 /nfs/dbraw/zinc/03/90/60/546039060.db2.gz WFZKUZDXWUYVIZ-LSDHHAIUSA-N 2 2 312.458 0.943 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001022220739 657566308 /nfs/dbraw/zinc/56/63/08/657566308.db2.gz MHLPEVXOKLANOA-XQQFMLRXSA-N 2 2 319.434 0.373 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001022220739 657566311 /nfs/dbraw/zinc/56/63/11/657566311.db2.gz MHLPEVXOKLANOA-XQQFMLRXSA-N 2 2 319.434 0.373 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971819061 657765188 /nfs/dbraw/zinc/76/51/88/657765188.db2.gz VBCWXTSKXDHYKB-KBPBESRZSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971819061 657765193 /nfs/dbraw/zinc/76/51/93/657765193.db2.gz VBCWXTSKXDHYKB-KBPBESRZSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971819061 657765201 /nfs/dbraw/zinc/76/52/01/657765201.db2.gz VBCWXTSKXDHYKB-KBPBESRZSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971819061 657765209 /nfs/dbraw/zinc/76/52/09/657765209.db2.gz VBCWXTSKXDHYKB-KBPBESRZSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999288755 665622610 /nfs/dbraw/zinc/62/26/10/665622610.db2.gz ZYPPWEQSZGBRIM-BDVYOWHSSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999288755 665622612 /nfs/dbraw/zinc/62/26/12/665622612.db2.gz ZYPPWEQSZGBRIM-BDVYOWHSSA-N 2 2 319.449 0.842 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018111833 659114306 /nfs/dbraw/zinc/11/43/06/659114306.db2.gz FZRGMUWYHSOWJV-GASCZTMLSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018111833 659114310 /nfs/dbraw/zinc/11/43/10/659114310.db2.gz FZRGMUWYHSOWJV-GASCZTMLSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961493 659143945 /nfs/dbraw/zinc/14/39/45/659143945.db2.gz KGODEJSTOHXRQD-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007961493 659143948 /nfs/dbraw/zinc/14/39/48/659143948.db2.gz KGODEJSTOHXRQD-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000924034927 661390460 /nfs/dbraw/zinc/39/04/60/661390460.db2.gz GFDHOCNKCWLAKW-HZPDHXFCSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC)C[NH+]2CCOCC2)C1 ZINC000924034927 661390463 /nfs/dbraw/zinc/39/04/63/661390463.db2.gz GFDHOCNKCWLAKW-HZPDHXFCSA-N 2 2 322.453 0.494 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990109136 663004876 /nfs/dbraw/zinc/00/48/76/663004876.db2.gz QJTIFAAEMYETJS-HLLBOEOZSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990109136 663004877 /nfs/dbraw/zinc/00/48/77/663004877.db2.gz QJTIFAAEMYETJS-HLLBOEOZSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990109136 663004878 /nfs/dbraw/zinc/00/48/78/663004878.db2.gz QJTIFAAEMYETJS-HLLBOEOZSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990109136 663004880 /nfs/dbraw/zinc/00/48/80/663004880.db2.gz QJTIFAAEMYETJS-HLLBOEOZSA-N 2 2 305.422 0.454 20 30 DCEDLP N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446691 663555950 /nfs/dbraw/zinc/55/59/50/663555950.db2.gz KKJUYHIBOBKTQN-DLBZAZTESA-N 2 2 319.453 0.816 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000908435369 663755183 /nfs/dbraw/zinc/75/51/83/663755183.db2.gz GAVXKZIPMZAQAZ-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000908435369 663755185 /nfs/dbraw/zinc/75/51/85/663755185.db2.gz GAVXKZIPMZAQAZ-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000908435369 663755186 /nfs/dbraw/zinc/75/51/86/663755186.db2.gz GAVXKZIPMZAQAZ-OAHLLOKOSA-N 2 2 303.410 0.861 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000913760116 664720186 /nfs/dbraw/zinc/72/01/86/664720186.db2.gz GJGDISYNKZCCFD-UHFFFAOYSA-N 2 2 308.470 0.733 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000919127441 665198340 /nfs/dbraw/zinc/19/83/40/665198340.db2.gz QSJBLMKYTBAMQD-HNNXBMFYSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000919127441 665198341 /nfs/dbraw/zinc/19/83/41/665198341.db2.gz QSJBLMKYTBAMQD-HNNXBMFYSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677045 666039544 /nfs/dbraw/zinc/03/95/44/666039544.db2.gz IPGXFXVKGMZQDX-HOTGVXAUSA-N 2 2 318.465 0.321 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416542 666706516 /nfs/dbraw/zinc/70/65/16/666706516.db2.gz QDDORVCVAHDPCQ-HUUCEWRRSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416542 666706519 /nfs/dbraw/zinc/70/65/19/666706519.db2.gz QDDORVCVAHDPCQ-HUUCEWRRSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1(C)C ZINC000996103472 666739300 /nfs/dbraw/zinc/73/93/00/666739300.db2.gz XQRDGKSRUFXNRC-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1(C)C ZINC000996103472 666739302 /nfs/dbraw/zinc/73/93/02/666739302.db2.gz XQRDGKSRUFXNRC-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[C@H](COC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000862548187 667047142 /nfs/dbraw/zinc/04/71/42/667047142.db2.gz ADDHZUSKXHLQTB-QGZVFWFLSA-N 2 2 309.454 0.411 20 30 DCEDLP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032444422 667269808 /nfs/dbraw/zinc/26/98/08/667269808.db2.gz XYMFGXQEHYADMV-HRCADAONSA-N 2 2 317.437 0.675 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032444422 667269810 /nfs/dbraw/zinc/26/98/10/667269810.db2.gz XYMFGXQEHYADMV-HRCADAONSA-N 2 2 317.437 0.675 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035328091 667299730 /nfs/dbraw/zinc/29/97/30/667299730.db2.gz PKIUBOGHQWLISP-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035328091 667299731 /nfs/dbraw/zinc/29/97/31/667299731.db2.gz PKIUBOGHQWLISP-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035328091 667299732 /nfs/dbraw/zinc/29/97/32/667299732.db2.gz PKIUBOGHQWLISP-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035328091 667299733 /nfs/dbraw/zinc/29/97/33/667299733.db2.gz PKIUBOGHQWLISP-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCO1 ZINC001035401227 667325051 /nfs/dbraw/zinc/32/50/51/667325051.db2.gz WZLYDKIYSJNBRQ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)CCO1 ZINC001035401227 667325056 /nfs/dbraw/zinc/32/50/56/667325056.db2.gz WZLYDKIYSJNBRQ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)CCO1 ZINC001035401227 667325058 /nfs/dbraw/zinc/32/50/58/667325058.db2.gz WZLYDKIYSJNBRQ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)CCO1 ZINC001035401227 667325061 /nfs/dbraw/zinc/32/50/61/667325061.db2.gz WZLYDKIYSJNBRQ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000884183758 667492612 /nfs/dbraw/zinc/49/26/12/667492612.db2.gz WGJWBCMSBJVTEX-AWEZNQCLSA-N 2 2 311.426 0.670 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000884228996 667504643 /nfs/dbraw/zinc/50/46/43/667504643.db2.gz FEROEHVBOWOTNG-SOUVJXGZSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000884228996 667504645 /nfs/dbraw/zinc/50/46/45/667504645.db2.gz FEROEHVBOWOTNG-SOUVJXGZSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000884228996 667504647 /nfs/dbraw/zinc/50/46/47/667504647.db2.gz FEROEHVBOWOTNG-SOUVJXGZSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000884228996 667504649 /nfs/dbraw/zinc/50/46/49/667504649.db2.gz FEROEHVBOWOTNG-SOUVJXGZSA-N 2 2 308.426 0.102 20 30 DCEDLP C#C[C@H]1COCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000838475407 667693383 /nfs/dbraw/zinc/69/33/83/667693383.db2.gz CXSBOFPZXNQGGB-CABCVRRESA-N 2 2 320.437 0.199 20 30 DCEDLP C#C[C@H]1COCCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000838475407 667693384 /nfs/dbraw/zinc/69/33/84/667693384.db2.gz CXSBOFPZXNQGGB-CABCVRRESA-N 2 2 320.437 0.199 20 30 DCEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NCCC#N)CC2)CC1 ZINC000761120144 668307372 /nfs/dbraw/zinc/30/73/72/668307372.db2.gz ANXYJPJFMPUKTA-UHFFFAOYSA-N 2 2 321.469 0.507 20 30 DCEDLP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000764727128 668459597 /nfs/dbraw/zinc/45/95/97/668459597.db2.gz IVLDKRPYZAYLCE-CQSZACIVSA-N 2 2 304.438 0.962 20 30 DCEDLP C#CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000764727128 668459601 /nfs/dbraw/zinc/45/96/01/668459601.db2.gz IVLDKRPYZAYLCE-CQSZACIVSA-N 2 2 304.438 0.962 20 30 DCEDLP C#CC[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000927414930 668465865 /nfs/dbraw/zinc/46/58/65/668465865.db2.gz PVVOZRKFPOWNFX-OAHLLOKOSA-N 2 2 318.421 0.489 20 30 DCEDLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000878867464 668943104 /nfs/dbraw/zinc/94/31/04/668943104.db2.gz FYLCWUMKFITBKA-IRXDYDNUSA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000878867464 668943106 /nfs/dbraw/zinc/94/31/06/668943106.db2.gz FYLCWUMKFITBKA-IRXDYDNUSA-N 2 2 303.406 0.980 20 30 DCEDLP C#CCOCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000784284972 669197306 /nfs/dbraw/zinc/19/73/06/669197306.db2.gz BYRBNBNHXOEXGI-UHFFFAOYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000793947251 669758606 /nfs/dbraw/zinc/75/86/06/669758606.db2.gz PCRPCFRLVQFSEU-HNNXBMFYSA-N 2 2 315.421 0.603 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000793947251 669758607 /nfs/dbraw/zinc/75/86/07/669758607.db2.gz PCRPCFRLVQFSEU-HNNXBMFYSA-N 2 2 315.421 0.603 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000884029412 669816299 /nfs/dbraw/zinc/81/62/99/669816299.db2.gz LDTFYHGEOPPFMD-AWEZNQCLSA-N 2 2 317.389 0.871 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000884037208 669818824 /nfs/dbraw/zinc/81/88/24/669818824.db2.gz SIOWXWVJCIGPHL-AWEZNQCLSA-N 2 2 311.426 0.862 20 30 DCEDLP N#Cc1ccc(O[C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000794832029 669865544 /nfs/dbraw/zinc/86/55/44/669865544.db2.gz JHKCUEBXUOCXOB-CVEARBPZSA-N 2 2 316.405 0.863 20 30 DCEDLP N#Cc1ccc(O[C@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000794832029 669865546 /nfs/dbraw/zinc/86/55/46/669865546.db2.gz JHKCUEBXUOCXOB-CVEARBPZSA-N 2 2 316.405 0.863 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000950923347 670153521 /nfs/dbraw/zinc/15/35/21/670153521.db2.gz BQLLSGAMFVUSPL-HQVVEAJESA-N 2 2 317.433 0.406 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000950923347 670153523 /nfs/dbraw/zinc/15/35/23/670153523.db2.gz BQLLSGAMFVUSPL-HQVVEAJESA-N 2 2 317.433 0.406 20 30 DCEDLP C#C[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000848494279 670691759 /nfs/dbraw/zinc/69/17/59/670691759.db2.gz VKGJBUVSJDHVTL-CYBMUJFWSA-N 2 2 304.394 0.305 20 30 DCEDLP C#C[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000848494279 670691762 /nfs/dbraw/zinc/69/17/62/670691762.db2.gz VKGJBUVSJDHVTL-CYBMUJFWSA-N 2 2 304.394 0.305 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868398 671180252 /nfs/dbraw/zinc/18/02/52/671180252.db2.gz RUBHPYVKRGYILJ-MRXNPFEDSA-N 3 2 318.465 0.274 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)CC1 ZINC000852868398 671180254 /nfs/dbraw/zinc/18/02/54/671180254.db2.gz RUBHPYVKRGYILJ-MRXNPFEDSA-N 3 2 318.465 0.274 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000834506228 671767289 /nfs/dbraw/zinc/76/72/89/671767289.db2.gz QXOLLPSTVRHCKN-GDBMZVCRSA-N 2 2 309.373 0.702 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001024616765 693812230 /nfs/dbraw/zinc/81/22/30/693812230.db2.gz YMRWUKFWDVHIOM-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024616765 693812233 /nfs/dbraw/zinc/81/22/33/693812233.db2.gz YMRWUKFWDVHIOM-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024616765 693812238 /nfs/dbraw/zinc/81/22/38/693812238.db2.gz YMRWUKFWDVHIOM-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024616765 693812241 /nfs/dbraw/zinc/81/22/41/693812241.db2.gz YMRWUKFWDVHIOM-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958257993 687485828 /nfs/dbraw/zinc/48/58/28/687485828.db2.gz MFNYJFWYMDFDCC-OCCSQVGLSA-N 2 2 300.362 0.543 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000959975822 688272189 /nfs/dbraw/zinc/27/21/89/688272189.db2.gz UICDAJZTKYTWKK-KOZAUXTDSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000959975822 688272194 /nfs/dbraw/zinc/27/21/94/688272194.db2.gz UICDAJZTKYTWKK-KOZAUXTDSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000959975822 688272198 /nfs/dbraw/zinc/27/21/98/688272198.db2.gz UICDAJZTKYTWKK-KOZAUXTDSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC000959975822 688272203 /nfs/dbraw/zinc/27/22/03/688272203.db2.gz UICDAJZTKYTWKK-KOZAUXTDSA-N 2 2 313.405 0.470 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000968952150 690433719 /nfs/dbraw/zinc/43/37/19/690433719.db2.gz BSYMIFFMAOOQAK-HIFRSBDPSA-N 2 2 317.393 0.166 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000968952150 690433722 /nfs/dbraw/zinc/43/37/22/690433722.db2.gz BSYMIFFMAOOQAK-HIFRSBDPSA-N 2 2 317.393 0.166 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284309 690833096 /nfs/dbraw/zinc/83/30/96/690833096.db2.gz ZASXYUFARRLSTJ-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284309 690833099 /nfs/dbraw/zinc/83/30/99/690833099.db2.gz ZASXYUFARRLSTJ-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284309 690833104 /nfs/dbraw/zinc/83/31/04/690833104.db2.gz ZASXYUFARRLSTJ-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284309 690833106 /nfs/dbraw/zinc/83/31/06/690833106.db2.gz ZASXYUFARRLSTJ-HZPDHXFCSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001017661441 692959951 /nfs/dbraw/zinc/95/99/51/692959951.db2.gz UPTNDHQJFLJJSS-IYBDPMFKSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001017661441 692959953 /nfs/dbraw/zinc/95/99/53/692959953.db2.gz UPTNDHQJFLJJSS-IYBDPMFKSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074384807 694882373 /nfs/dbraw/zinc/88/23/73/694882373.db2.gz MUTIYOLRCCDESB-HOTGVXAUSA-N 2 2 317.433 0.407 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074384807 694882376 /nfs/dbraw/zinc/88/23/76/694882376.db2.gz MUTIYOLRCCDESB-HOTGVXAUSA-N 2 2 317.433 0.407 20 30 DCEDLP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643819 694966000 /nfs/dbraw/zinc/96/60/00/694966000.db2.gz MXMASXCQRUMPRD-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643819 694966001 /nfs/dbraw/zinc/96/60/01/694966001.db2.gz MXMASXCQRUMPRD-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643819 694966002 /nfs/dbraw/zinc/96/60/02/694966002.db2.gz MXMASXCQRUMPRD-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643819 694966003 /nfs/dbraw/zinc/96/60/03/694966003.db2.gz MXMASXCQRUMPRD-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976115 694990884 /nfs/dbraw/zinc/99/08/84/694990884.db2.gz JWWXJNCDRBAOCQ-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976115 694990885 /nfs/dbraw/zinc/99/08/85/694990885.db2.gz JWWXJNCDRBAOCQ-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173026 695003338 /nfs/dbraw/zinc/00/33/38/695003338.db2.gz HHBABWMZLFJFSH-ARFHVFGLSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173026 695003339 /nfs/dbraw/zinc/00/33/39/695003339.db2.gz HHBABWMZLFJFSH-ARFHVFGLSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173026 695003340 /nfs/dbraw/zinc/00/33/40/695003340.db2.gz HHBABWMZLFJFSH-ARFHVFGLSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076173026 695003341 /nfs/dbraw/zinc/00/33/41/695003341.db2.gz HHBABWMZLFJFSH-ARFHVFGLSA-N 2 2 305.422 0.262 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001570494050 1162529287 /nfs/dbraw/zinc/52/92/87/1162529287.db2.gz XXYQTWMQLMTHJN-CQSZACIVSA-N 2 2 318.421 0.575 20 30 DCEDLP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001571353294 1162715591 /nfs/dbraw/zinc/71/55/91/1162715591.db2.gz UORHUAIGPHMZFN-HNNXBMFYSA-N 2 2 318.421 0.581 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001571550818 1162806157 /nfs/dbraw/zinc/80/61/57/1162806157.db2.gz UTQJRGUMRCOCGZ-HUUCEWRRSA-N 2 2 304.394 0.407 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1OCC ZINC001691337661 1157647354 /nfs/dbraw/zinc/64/73/54/1157647354.db2.gz GAIFFMSQUPBARS-HZPDHXFCSA-N 2 2 318.421 0.750 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001566773188 1160148229 /nfs/dbraw/zinc/14/82/29/1160148229.db2.gz CSIXQLOXQAITKB-KGLIPLIRSA-N 2 2 319.409 0.327 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnon1 ZINC001567218109 1160276483 /nfs/dbraw/zinc/27/64/83/1160276483.db2.gz DHKKASMQPIENDV-JSGCOSHPSA-N 2 2 305.382 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cnon1 ZINC001567218109 1160276489 /nfs/dbraw/zinc/27/64/89/1160276489.db2.gz DHKKASMQPIENDV-JSGCOSHPSA-N 2 2 305.382 0.152 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567418172 1160359224 /nfs/dbraw/zinc/35/92/24/1160359224.db2.gz NFSCWEDWPDKXNZ-CYBMUJFWSA-N 2 2 319.409 0.001 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001567418172 1160359229 /nfs/dbraw/zinc/35/92/29/1160359229.db2.gz NFSCWEDWPDKXNZ-CYBMUJFWSA-N 2 2 319.409 0.001 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nnc(C)o1 ZINC001569211242 1160979304 /nfs/dbraw/zinc/97/93/04/1160979304.db2.gz UDMZAROUSKOWRY-AWEZNQCLSA-N 2 2 319.409 0.414 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nnc(C)o1 ZINC001569211242 1160979312 /nfs/dbraw/zinc/97/93/12/1160979312.db2.gz UDMZAROUSKOWRY-AWEZNQCLSA-N 2 2 319.409 0.414 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001569828035 1161277830 /nfs/dbraw/zinc/27/78/30/1161277830.db2.gz FJSDLINHKYRLBN-UONOGXRCSA-N 2 2 319.409 0.012 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001666927962 1174647540 /nfs/dbraw/zinc/64/75/40/1174647540.db2.gz SVPKFTIDHMZMGH-MGPQQGTHSA-N 2 2 304.394 0.600 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001666927962 1174647543 /nfs/dbraw/zinc/64/75/43/1174647543.db2.gz SVPKFTIDHMZMGH-MGPQQGTHSA-N 2 2 304.394 0.600 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001667759397 1174708435 /nfs/dbraw/zinc/70/84/35/1174708435.db2.gz YDRVJTABOXQRHE-ZIAGYGMSSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001677497294 1175571517 /nfs/dbraw/zinc/57/15/17/1175571517.db2.gz WQAPIIZRODEOTF-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001688057122 1176346430 /nfs/dbraw/zinc/34/64/30/1176346430.db2.gz UMBPFEUDOMYWTN-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001688057122 1176346415 /nfs/dbraw/zinc/34/64/15/1176346415.db2.gz UMBPFEUDOMYWTN-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001688057122 1176346425 /nfs/dbraw/zinc/34/64/25/1176346425.db2.gz UMBPFEUDOMYWTN-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001688057122 1176346437 /nfs/dbraw/zinc/34/64/37/1176346437.db2.gz UMBPFEUDOMYWTN-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CCN1CC[NH+](CCN(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001691943139 1177389068 /nfs/dbraw/zinc/38/90/68/1177389068.db2.gz YYAQSPAWYRBWKB-UHFFFAOYSA-N 2 2 322.497 0.980 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nonc1C ZINC001699407968 1178122972 /nfs/dbraw/zinc/12/29/72/1178122972.db2.gz XNSLGCNAEPNDTD-FZMZJTMJSA-N 2 2 305.382 0.070 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nonc1C ZINC001699407968 1178122978 /nfs/dbraw/zinc/12/29/78/1178122978.db2.gz XNSLGCNAEPNDTD-FZMZJTMJSA-N 2 2 305.382 0.070 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001699588207 1178206870 /nfs/dbraw/zinc/20/68/70/1178206870.db2.gz KPTLHRAATKLQDP-GOEBONIOSA-N 2 2 318.421 0.968 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001699666136 1178244635 /nfs/dbraw/zinc/24/46/35/1178244635.db2.gz VGSRELCFGUJQGM-CQSZACIVSA-N 2 2 304.394 0.722 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001700168876 1178513036 /nfs/dbraw/zinc/51/30/36/1178513036.db2.gz RFQSTBSPAMBHKD-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001713194501 1180715140 /nfs/dbraw/zinc/71/51/40/1180715140.db2.gz CCDXWIZUTAGZMT-SOUVJXGZSA-N 2 2 316.405 0.332 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001714100225 1181243168 /nfs/dbraw/zinc/24/31/68/1181243168.db2.gz DWMZAHJOVKBAID-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001714100225 1181243174 /nfs/dbraw/zinc/24/31/74/1181243174.db2.gz DWMZAHJOVKBAID-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001714100225 1181243178 /nfs/dbraw/zinc/24/31/78/1181243178.db2.gz DWMZAHJOVKBAID-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001714100225 1181243183 /nfs/dbraw/zinc/24/31/83/1181243183.db2.gz DWMZAHJOVKBAID-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001714404010 1181351295 /nfs/dbraw/zinc/35/12/95/1181351295.db2.gz FTMZTRWPYFHDIV-CQSZACIVSA-N 2 2 319.405 0.624 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001715591623 1181881462 /nfs/dbraw/zinc/88/14/62/1181881462.db2.gz JFKBPAXWIHXAAK-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659793 1182484918 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C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001732722150 1185936221 /nfs/dbraw/zinc/93/62/21/1185936221.db2.gz YXKSUPXLBQWJDG-HOCLYGCPSA-N 2 2 307.438 0.747 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001753009322 1188476840 /nfs/dbraw/zinc/47/68/40/1188476840.db2.gz CVKLPXWLJUINBO-HUUCEWRRSA-N 2 2 318.421 0.580 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001753066419 1188488974 /nfs/dbraw/zinc/48/89/74/1188488974.db2.gz SZHVEXKTXDTYMY-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001753066419 1188488977 /nfs/dbraw/zinc/48/89/77/1188488977.db2.gz SZHVEXKTXDTYMY-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001753066419 1188488981 /nfs/dbraw/zinc/48/89/81/1188488981.db2.gz SZHVEXKTXDTYMY-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001753066419 1188488985 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C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001755333327 1189084967 /nfs/dbraw/zinc/08/49/67/1189084967.db2.gz GSVDHVMUDKAYQG-HNNXBMFYSA-N 2 2 309.454 0.988 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001755766419 1189204816 /nfs/dbraw/zinc/20/48/16/1189204816.db2.gz KDIFOWOCEYDASK-AWEZNQCLSA-N 2 2 304.394 0.360 20 30 DCEDLP N#Cc1ccc(-c2noc([C@@H](N)C[NH+]3CCC([NH3+])CC3)n2)nc1 ZINC001212315200 751573121 /nfs/dbraw/zinc/57/31/21/751573121.db2.gz UXGCOWNMHHQWAR-LBPRGKRZSA-N 2 2 313.365 0.426 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583681 751864182 /nfs/dbraw/zinc/86/41/82/751864182.db2.gz IFPXTQJRKROHRC-FVQBIDKESA-N 2 2 318.421 0.491 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001077583681 751864194 /nfs/dbraw/zinc/86/41/94/751864194.db2.gz IFPXTQJRKROHRC-FVQBIDKESA-N 2 2 318.421 0.491 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001042964040 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0.293 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931659 748471919 /nfs/dbraw/zinc/47/19/19/748471919.db2.gz NLJZSYMSNKKQAW-BZUAXINKSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931659 748471921 /nfs/dbraw/zinc/47/19/21/748471921.db2.gz NLJZSYMSNKKQAW-BZUAXINKSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212352836 752645578 /nfs/dbraw/zinc/64/55/78/752645578.db2.gz BCWKRSWQVFRJJE-RBSFLKMASA-N 2 2 313.417 0.505 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212352836 752645582 /nfs/dbraw/zinc/64/55/82/752645582.db2.gz BCWKRSWQVFRJJE-RBSFLKMASA-N 2 2 313.417 0.505 20 30 DCEDLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046057940 753453802 /nfs/dbraw/zinc/45/38/02/753453802.db2.gz AENMGYQRICKZRP-MRXNPFEDSA-N 2 2 319.453 0.070 20 30 DCEDLP 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BNAXFDIETGDJOP-HIFRSBDPSA-N 2 2 304.394 0.499 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001083961082 757592065 /nfs/dbraw/zinc/59/20/65/757592065.db2.gz BNAXFDIETGDJOP-HIFRSBDPSA-N 2 2 304.394 0.499 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098388185 759101991 /nfs/dbraw/zinc/10/19/91/759101991.db2.gz JKTCKQUMTUOKJT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098388185 759101995 /nfs/dbraw/zinc/10/19/95/759101995.db2.gz JKTCKQUMTUOKJT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098388185 759102000 /nfs/dbraw/zinc/10/20/00/759102000.db2.gz JKTCKQUMTUOKJT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098388185 759102006 /nfs/dbraw/zinc/10/20/06/759102006.db2.gz JKTCKQUMTUOKJT-UHFFFAOYSA-N 2 2 318.421 0.651 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602128 759115518 /nfs/dbraw/zinc/11/55/18/759115518.db2.gz PRZHKSHPKNQLMH-HNNXBMFYSA-N 2 2 317.437 0.614 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602128 759115519 /nfs/dbraw/zinc/11/55/19/759115519.db2.gz PRZHKSHPKNQLMH-HNNXBMFYSA-N 2 2 317.437 0.614 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052075991 759161500 /nfs/dbraw/zinc/16/15/00/759161500.db2.gz FMVGJRZZXIOUNX-DLBZAZTESA-N 2 2 322.497 0.977 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789018 759318184 /nfs/dbraw/zinc/31/81/84/759318184.db2.gz YVFIJMLWEKIADO-HOCLYGCPSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789018 759318194 /nfs/dbraw/zinc/31/81/94/759318194.db2.gz YVFIJMLWEKIADO-HOCLYGCPSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866661 759404748 /nfs/dbraw/zinc/40/47/48/759404748.db2.gz OEYDHYCZXFPENT-OAHLLOKOSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866661 759404750 /nfs/dbraw/zinc/40/47/50/759404750.db2.gz OEYDHYCZXFPENT-OAHLLOKOSA-N 2 2 303.410 0.224 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001086176101 759803054 /nfs/dbraw/zinc/80/30/54/759803054.db2.gz CYKKAKYIOLYQII-UXLLHSPISA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001086176101 759803068 /nfs/dbraw/zinc/80/30/68/759803068.db2.gz CYKKAKYIOLYQII-UXLLHSPISA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001086390084 760126745 /nfs/dbraw/zinc/12/67/45/760126745.db2.gz ABCBZWUXPHIPAJ-BPUTZDHNSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001086390084 760126751 /nfs/dbraw/zinc/12/67/51/760126751.db2.gz ABCBZWUXPHIPAJ-BPUTZDHNSA-N 2 2 316.405 0.757 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+](C)CCC)CC2=O)C1 ZINC001108587859 760929954 /nfs/dbraw/zinc/92/99/54/760929954.db2.gz WYNDWJMQIGEJFY-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[N@H+](C)CCC)CC2=O)C1 ZINC001108587859 760929959 /nfs/dbraw/zinc/92/99/59/760929959.db2.gz WYNDWJMQIGEJFY-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109410 761087247 /nfs/dbraw/zinc/08/72/47/761087247.db2.gz VPVONJHDSUDSNA-KGLIPLIRSA-N 2 2 315.381 0.092 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001070109410 761087252 /nfs/dbraw/zinc/08/72/52/761087252.db2.gz VPVONJHDSUDSNA-KGLIPLIRSA-N 2 2 315.381 0.092 20 30 DCEDLP C=CCOCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148605721 768018072 /nfs/dbraw/zinc/01/80/72/768018072.db2.gz SPMRYNULQNJCCJ-UHFFFAOYSA-N 2 2 318.421 0.700 20 30 DCEDLP C=CCOCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148605721 768018076 /nfs/dbraw/zinc/01/80/76/768018076.db2.gz SPMRYNULQNJCCJ-UHFFFAOYSA-N 2 2 318.421 0.700 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020696 761589265 /nfs/dbraw/zinc/58/92/65/761589265.db2.gz POAVLLHSHYQVII-UHFFFAOYSA-N 2 2 322.453 0.309 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001071020696 761589271 /nfs/dbraw/zinc/58/92/71/761589271.db2.gz POAVLLHSHYQVII-UHFFFAOYSA-N 2 2 322.453 0.309 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071225884 761722377 /nfs/dbraw/zinc/72/23/77/761722377.db2.gz RHAVRYCHTLRJAA-RHSMWYFYSA-N 2 2 316.405 0.288 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]cn1C)C[C@@H](C)O2 ZINC001071225884 761722380 /nfs/dbraw/zinc/72/23/80/761722380.db2.gz RHAVRYCHTLRJAA-RHSMWYFYSA-N 2 2 316.405 0.288 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C2CC2)no1 ZINC001129771053 763008888 /nfs/dbraw/zinc/00/88/88/763008888.db2.gz PBLZRGWCLJTGPL-INIZCTEOSA-N 2 2 316.405 0.855 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C2CC2)no1 ZINC001129771053 763008896 /nfs/dbraw/zinc/00/88/96/763008896.db2.gz PBLZRGWCLJTGPL-INIZCTEOSA-N 2 2 316.405 0.855 20 30 DCEDLP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001130024294 763092514 /nfs/dbraw/zinc/09/25/14/763092514.db2.gz QIZZOMNNGTTWQY-KGLIPLIRSA-N 2 2 315.381 0.162 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034198 763239605 /nfs/dbraw/zinc/23/96/05/763239605.db2.gz PDMYBHVFJXRYMM-CVEARBPZSA-N 2 2 318.421 0.546 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034198 763239615 /nfs/dbraw/zinc/23/96/15/763239615.db2.gz PDMYBHVFJXRYMM-CVEARBPZSA-N 2 2 318.421 0.546 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100747516 763758548 /nfs/dbraw/zinc/75/85/48/763758548.db2.gz QCIDLTOQQVNDBP-NFOMZHRRSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100747516 763758555 /nfs/dbraw/zinc/75/85/55/763758555.db2.gz QCIDLTOQQVNDBP-NFOMZHRRSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222001 764319502 /nfs/dbraw/zinc/31/95/02/764319502.db2.gz RPPUAENMBPBOIC-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222001 764319508 /nfs/dbraw/zinc/31/95/08/764319508.db2.gz RPPUAENMBPBOIC-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532398 764509788 /nfs/dbraw/zinc/50/97/88/764509788.db2.gz CPDMOAFAUAQZJF-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132532398 764509796 /nfs/dbraw/zinc/50/97/96/764509796.db2.gz CPDMOAFAUAQZJF-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513516 764674976 /nfs/dbraw/zinc/67/49/76/764674976.db2.gz NRZJAWYMNLBSIC-HUUCEWRRSA-N 2 2 320.437 0.849 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513516 764674978 /nfs/dbraw/zinc/67/49/78/764674978.db2.gz NRZJAWYMNLBSIC-HUUCEWRRSA-N 2 2 320.437 0.849 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133667849 765077345 /nfs/dbraw/zinc/07/73/45/765077345.db2.gz LGRWMLMBMGPJAN-RYUDHWBXSA-N 2 2 319.409 0.226 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135575874 765994962 /nfs/dbraw/zinc/99/49/62/765994962.db2.gz MJOKDWDTSYPRQH-RYUDHWBXSA-N 2 2 307.398 0.127 20 30 DCEDLP N#CCOc1ccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135759924 766095322 /nfs/dbraw/zinc/09/53/22/766095322.db2.gz FTVDAVXIZCHQFM-UHFFFAOYSA-N 2 2 313.361 0.761 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090618035 766382488 /nfs/dbraw/zinc/38/24/88/766382488.db2.gz ZMWCRVLHPCRFLZ-KBPBESRZSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090618035 766382498 /nfs/dbraw/zinc/38/24/98/766382498.db2.gz ZMWCRVLHPCRFLZ-KBPBESRZSA-N 2 2 304.394 0.191 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338580 768997513 /nfs/dbraw/zinc/99/75/13/768997513.db2.gz LQVLIUNKIBSJFD-ZDUSSCGKSA-N 2 2 318.425 0.279 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338580 768997519 /nfs/dbraw/zinc/99/75/19/768997519.db2.gz LQVLIUNKIBSJFD-ZDUSSCGKSA-N 2 2 318.425 0.279 20 30 DCEDLP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596992 769135852 /nfs/dbraw/zinc/13/58/52/769135852.db2.gz RUBCSHKWDTZOAK-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596992 769135857 /nfs/dbraw/zinc/13/58/57/769135857.db2.gz RUBCSHKWDTZOAK-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235301626 769798427 /nfs/dbraw/zinc/79/84/27/769798427.db2.gz CXCMXUSTMGUOAS-JKSUJKDBSA-N 2 2 319.453 0.922 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235301626 769798438 /nfs/dbraw/zinc/79/84/38/769798438.db2.gz CXCMXUSTMGUOAS-JKSUJKDBSA-N 2 2 319.453 0.922 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235335162 769815638 /nfs/dbraw/zinc/81/56/38/769815638.db2.gz KQFXMIVJADGGFG-HOCLYGCPSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235335162 769815650 /nfs/dbraw/zinc/81/56/50/769815650.db2.gz KQFXMIVJADGGFG-HOCLYGCPSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183126469 771606782 /nfs/dbraw/zinc/60/67/82/771606782.db2.gz RKYIUXWVOZKQED-TZMCWYRMSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183126469 771606786 /nfs/dbraw/zinc/60/67/86/771606786.db2.gz RKYIUXWVOZKQED-TZMCWYRMSA-N 2 2 319.409 0.224 20 30 DCEDLP C[NH+]1CCN(C(=[NH2+])Nc2nc(C#N)c(C#N)nc2Cl)CC1 ZINC001157915820 771693369 /nfs/dbraw/zinc/69/33/69/771693369.db2.gz WETFRIHQUOYKOT-UHFFFAOYSA-N 2 2 304.745 0.467 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001160209492 772009667 /nfs/dbraw/zinc/00/96/67/772009667.db2.gz MUNCWZZSUBEKFM-OCCSQVGLSA-N 2 2 318.425 0.368 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001160209492 772009671 /nfs/dbraw/zinc/00/96/71/772009671.db2.gz MUNCWZZSUBEKFM-OCCSQVGLSA-N 2 2 318.425 0.368 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221135 772016368 /nfs/dbraw/zinc/01/63/68/772016368.db2.gz HTUDZOIPPZZNNK-UONOGXRCSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221135 772016374 /nfs/dbraw/zinc/01/63/74/772016374.db2.gz HTUDZOIPPZZNNK-UONOGXRCSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001188172770 772274190 /nfs/dbraw/zinc/27/41/90/772274190.db2.gz OFTRDQKXYAAVLB-HZPDHXFCSA-N 2 2 300.406 0.898 20 30 DCEDLP C#CCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)(COC)CC1 ZINC001162553791 772391219 /nfs/dbraw/zinc/39/12/19/772391219.db2.gz RDKBOVQWVQMSDM-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786628 772532207 /nfs/dbraw/zinc/53/22/07/772532207.db2.gz GMINYFVNQTTXRI-GOEBONIOSA-N 2 2 316.405 0.145 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001189786628 772532210 /nfs/dbraw/zinc/53/22/10/772532210.db2.gz GMINYFVNQTTXRI-GOEBONIOSA-N 2 2 316.405 0.145 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001166391720 772806761 /nfs/dbraw/zinc/80/67/61/772806761.db2.gz YZOZPEVUSVMTCL-INIZCTEOSA-N 2 2 321.465 0.997 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001166391720 772806765 /nfs/dbraw/zinc/80/67/65/772806765.db2.gz YZOZPEVUSVMTCL-INIZCTEOSA-N 2 2 321.465 0.997 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561067 772932954 /nfs/dbraw/zinc/93/29/54/772932954.db2.gz WVEGOKJUVILONP-TZMCWYRMSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561067 772932957 /nfs/dbraw/zinc/93/29/57/772932957.db2.gz WVEGOKJUVILONP-TZMCWYRMSA-N 2 2 319.409 0.176 20 30 DCEDLP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695676 773104759 /nfs/dbraw/zinc/10/47/59/773104759.db2.gz KULVPCWCYOPOQI-AWEZNQCLSA-N 2 2 304.394 0.443 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695676 773104762 /nfs/dbraw/zinc/10/47/62/773104762.db2.gz KULVPCWCYOPOQI-AWEZNQCLSA-N 2 2 304.394 0.443 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786616 773109623 /nfs/dbraw/zinc/10/96/23/773109623.db2.gz KMUCDWOTLGLPFM-MRXNPFEDSA-N 2 2 318.421 0.535 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786616 773109625 /nfs/dbraw/zinc/10/96/25/773109625.db2.gz KMUCDWOTLGLPFM-MRXNPFEDSA-N 2 2 318.421 0.535 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299453 773428018 /nfs/dbraw/zinc/42/80/18/773428018.db2.gz OKHNQZAJENOTAX-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299453 773428019 /nfs/dbraw/zinc/42/80/19/773428019.db2.gz OKHNQZAJENOTAX-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCOCC)CC1 ZINC001196191314 773546114 /nfs/dbraw/zinc/54/61/14/773546114.db2.gz CKBMIIKUNYPXDY-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCOCC)CC1 ZINC001196191314 773546117 /nfs/dbraw/zinc/54/61/17/773546117.db2.gz CKBMIIKUNYPXDY-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCOCC)CC1 ZINC001196191314 773546119 /nfs/dbraw/zinc/54/61/19/773546119.db2.gz CKBMIIKUNYPXDY-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCOCC)CC1 ZINC001196191314 773546120 /nfs/dbraw/zinc/54/61/20/773546120.db2.gz CKBMIIKUNYPXDY-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001198260161 773880646 /nfs/dbraw/zinc/88/06/46/773880646.db2.gz WWJZSESTBJKWAN-HNNXBMFYSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001198260161 773880655 /nfs/dbraw/zinc/88/06/55/773880655.db2.gz WWJZSESTBJKWAN-HNNXBMFYSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198260161 773880661 /nfs/dbraw/zinc/88/06/61/773880661.db2.gz WWJZSESTBJKWAN-HNNXBMFYSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001198260161 773880670 /nfs/dbraw/zinc/88/06/70/773880670.db2.gz WWJZSESTBJKWAN-HNNXBMFYSA-N 2 2 324.469 0.552 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200653661 774391071 /nfs/dbraw/zinc/39/10/71/774391071.db2.gz IPVHOFXZUHWZMB-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200653661 774391078 /nfs/dbraw/zinc/39/10/78/774391078.db2.gz IPVHOFXZUHWZMB-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCO1 ZINC001200840980 774415299 /nfs/dbraw/zinc/41/52/99/774415299.db2.gz LNBIXDJQQBIQOE-GDBMZVCRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893865 774639071 /nfs/dbraw/zinc/63/90/71/774639071.db2.gz OYRBSLVQOMZZRQ-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893865 774639073 /nfs/dbraw/zinc/63/90/73/774639073.db2.gz OYRBSLVQOMZZRQ-BMFZPTHFSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162815 775013651 /nfs/dbraw/zinc/01/36/51/775013651.db2.gz GYQWBXGLOWWURO-SJORKVTESA-N 2 2 317.433 0.856 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162815 775013657 /nfs/dbraw/zinc/01/36/57/775013657.db2.gz GYQWBXGLOWWURO-SJORKVTESA-N 2 2 317.433 0.856 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162815 775013664 /nfs/dbraw/zinc/01/36/64/775013664.db2.gz GYQWBXGLOWWURO-SJORKVTESA-N 2 2 317.433 0.856 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162815 775013672 /nfs/dbraw/zinc/01/36/72/775013672.db2.gz GYQWBXGLOWWURO-SJORKVTESA-N 2 2 317.433 0.856 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813454 775203639 /nfs/dbraw/zinc/20/36/39/775203639.db2.gz JYXAFIULQPMYHD-BRWVUGGUSA-N 2 2 319.449 0.653 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813454 775203644 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20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001480891181 939254374 /nfs/dbraw/zinc/25/43/74/939254374.db2.gz KKTWJLHDYFCCLF-AWEZNQCLSA-N 2 2 319.409 0.026 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001480891181 939254376 /nfs/dbraw/zinc/25/43/76/939254376.db2.gz KKTWJLHDYFCCLF-AWEZNQCLSA-N 2 2 319.409 0.026 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001266859447 939257040 /nfs/dbraw/zinc/25/70/40/939257040.db2.gz YUEBKXGWQFCFDM-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001266859447 939257042 /nfs/dbraw/zinc/25/70/42/939257042.db2.gz YUEBKXGWQFCFDM-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001266859447 939257043 /nfs/dbraw/zinc/25/70/43/939257043.db2.gz YUEBKXGWQFCFDM-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480913577 939314727 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DCEDLP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267453456 939459618 /nfs/dbraw/zinc/45/96/18/939459618.db2.gz CMRWQUJMVXIKRO-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267689291 939626616 /nfs/dbraw/zinc/62/66/16/939626616.db2.gz CXFRAGNGNZFBEL-RRFJBIMHSA-N 2 2 300.406 0.937 20 30 DCEDLP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267689291 939626617 /nfs/dbraw/zinc/62/66/17/939626617.db2.gz CXFRAGNGNZFBEL-RRFJBIMHSA-N 2 2 300.406 0.937 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267728450 939644879 /nfs/dbraw/zinc/64/48/79/939644879.db2.gz DQLRLIRDXMKRCQ-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267728450 939644881 /nfs/dbraw/zinc/64/48/81/939644881.db2.gz DQLRLIRDXMKRCQ-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001267969419 939715889 /nfs/dbraw/zinc/71/58/89/939715889.db2.gz DUFLRTADKUYBCU-MRXNPFEDSA-N 2 2 318.421 0.583 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481526286 939917766 /nfs/dbraw/zinc/91/77/66/939917766.db2.gz LFVRQDSKDXYGOY-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481526286 939917772 /nfs/dbraw/zinc/91/77/72/939917772.db2.gz LFVRQDSKDXYGOY-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481526286 939917777 /nfs/dbraw/zinc/91/77/77/939917777.db2.gz LFVRQDSKDXYGOY-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481526286 939917780 /nfs/dbraw/zinc/91/77/80/939917780.db2.gz LFVRQDSKDXYGOY-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001268648819 940317122 /nfs/dbraw/zinc/31/71/22/940317122.db2.gz XNSLGCNAEPNDTD-RISCZKNCSA-N 2 2 305.382 0.070 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001268648819 940317126 /nfs/dbraw/zinc/31/71/26/940317126.db2.gz XNSLGCNAEPNDTD-RISCZKNCSA-N 2 2 305.382 0.070 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CC ZINC001268979145 940423396 /nfs/dbraw/zinc/42/33/96/940423396.db2.gz YDVQRKUJGHEJPK-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001268979145 940423399 /nfs/dbraw/zinc/42/33/99/940423399.db2.gz YDVQRKUJGHEJPK-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001268979145 940423402 /nfs/dbraw/zinc/42/34/02/940423402.db2.gz YDVQRKUJGHEJPK-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001268979145 940423404 /nfs/dbraw/zinc/42/34/04/940423404.db2.gz YDVQRKUJGHEJPK-ILXRZTDVSA-N 2 2 322.453 0.304 20 30 DCEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269085623 940613068 /nfs/dbraw/zinc/61/30/68/940613068.db2.gz WLAXGOXAHAJPDZ-HOCLYGCPSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCOCC ZINC001269249702 940661846 /nfs/dbraw/zinc/66/18/46/940661846.db2.gz SDAPWZUHDWBJOP-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCOCC ZINC001269249702 940661847 /nfs/dbraw/zinc/66/18/47/940661847.db2.gz SDAPWZUHDWBJOP-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCOCC ZINC001269249702 940661848 /nfs/dbraw/zinc/66/18/48/940661848.db2.gz SDAPWZUHDWBJOP-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCOCC ZINC001269249702 940661851 /nfs/dbraw/zinc/66/18/51/940661851.db2.gz SDAPWZUHDWBJOP-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001269972890 940808228 /nfs/dbraw/zinc/80/82/28/940808228.db2.gz PSRZWNJVWOCEIE-QWHCGFSZSA-N 2 2 319.409 0.224 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001270359504 940887076 /nfs/dbraw/zinc/88/70/76/940887076.db2.gz WBDFIHSBRQVWOY-CQSZACIVSA-N 2 2 318.421 0.270 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001271360816 941358678 /nfs/dbraw/zinc/35/86/78/941358678.db2.gz BZWVHHBRGWAFBQ-OAHLLOKOSA-N 2 2 307.438 0.437 20 30 DCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001484682638 943514484 /nfs/dbraw/zinc/51/44/84/943514484.db2.gz RSYXDPJFQNESPR-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001484705161 943524368 /nfs/dbraw/zinc/52/43/68/943524368.db2.gz SRWITTXHWADPDW-MRXNPFEDSA-N 2 2 308.470 0.733 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001484697078 943526960 /nfs/dbraw/zinc/52/69/60/943526960.db2.gz LMUWJKRKQXEMFU-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001484956516 943636937 /nfs/dbraw/zinc/63/69/37/943636937.db2.gz NHJVRLUKJCPGHQ-UHFFFAOYSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCCC[NH+]1CCC(CO)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001485027953 943661426 /nfs/dbraw/zinc/66/14/26/943661426.db2.gz GRQKPKMGNYMOLW-UHFFFAOYSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001485648230 944051311 /nfs/dbraw/zinc/05/13/11/944051311.db2.gz GZTZGSGZKRKTRC-UKRRQHHQSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cnccn1 ZINC001493580628 944085218 /nfs/dbraw/zinc/08/52/18/944085218.db2.gz WAZHQKOVOBSAHK-ZBFHGGJFSA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1cnccn1 ZINC001493580628 944085225 /nfs/dbraw/zinc/08/52/25/944085225.db2.gz WAZHQKOVOBSAHK-ZBFHGGJFSA-N 2 2 315.421 0.683 20 30 DCEDLP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276812660 944310480 /nfs/dbraw/zinc/31/04/80/944310480.db2.gz LHLWKYHZNMPXAX-HIFRSBDPSA-N 2 2 306.410 0.744 20 30 DCEDLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316965001 944693377 /nfs/dbraw/zinc/69/33/77/944693377.db2.gz MVOMHNOKSNTYEN-HNNXBMFYSA-N 2 2 307.442 0.118 20 30 DCEDLP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316965001 944693380 /nfs/dbraw/zinc/69/33/80/944693380.db2.gz MVOMHNOKSNTYEN-HNNXBMFYSA-N 2 2 307.442 0.118 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317150671 944825562 /nfs/dbraw/zinc/82/55/62/944825562.db2.gz DSVREZUOXCPFLG-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP CC[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC#CCOC ZINC001318542361 945400030 /nfs/dbraw/zinc/40/00/30/945400030.db2.gz RREXANNXQBRJMQ-HUUCEWRRSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001319935841 945698924 /nfs/dbraw/zinc/69/89/24/945698924.db2.gz LZTRNSNIIHFSLS-IRXDYDNUSA-N 2 2 321.465 0.993 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001319935841 945698927 /nfs/dbraw/zinc/69/89/27/945698927.db2.gz LZTRNSNIIHFSLS-IRXDYDNUSA-N 2 2 321.465 0.993 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320240592 945782193 /nfs/dbraw/zinc/78/21/93/945782193.db2.gz ARSBGWOQBPPDDZ-HIFRSBDPSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278774094 946342634 /nfs/dbraw/zinc/34/26/34/946342634.db2.gz QWNSYJKLFHSTRY-GJZGRUSLSA-N 2 2 320.437 0.821 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001321875346 946496747 /nfs/dbraw/zinc/49/67/47/946496747.db2.gz FXCFSJZXUSNVGX-LRDDRELGSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)oc1C ZINC001321875346 946496753 /nfs/dbraw/zinc/49/67/53/946496753.db2.gz FXCFSJZXUSNVGX-LRDDRELGSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCOCC1 ZINC001325029527 947617934 /nfs/dbraw/zinc/61/79/34/947617934.db2.gz VGPDUHHPBJHUOF-AWEZNQCLSA-N 2 2 304.394 0.722 20 30 DCEDLP C#CCCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273541436 947948407 /nfs/dbraw/zinc/94/84/07/947948407.db2.gz AXLMYMHYVWVVSQ-KRWDZBQOSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273541436 947948414 /nfs/dbraw/zinc/94/84/14/947948414.db2.gz AXLMYMHYVWVVSQ-KRWDZBQOSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)O2 ZINC001273669036 948015233 /nfs/dbraw/zinc/01/52/33/948015233.db2.gz LKCMCTLEWFECFI-CABCVRRESA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[NH2+]CCN(CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001326033317 948027495 /nfs/dbraw/zinc/02/74/95/948027495.db2.gz QBQBSXZSHCVNHJ-UHFFFAOYSA-N 2 2 306.410 0.358 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001327131216 948404365 /nfs/dbraw/zinc/40/43/65/948404365.db2.gz RGXKGYHWVHRQSR-HNNXBMFYSA-N 2 2 318.421 0.963 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001327131216 948404372 /nfs/dbraw/zinc/40/43/72/948404372.db2.gz RGXKGYHWVHRQSR-HNNXBMFYSA-N 2 2 318.421 0.963 20 30 DCEDLP C=CC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC001327644849 948582399 /nfs/dbraw/zinc/58/23/99/948582399.db2.gz BEYXBYIWIAMOON-AWEZNQCLSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264080691 948874100 /nfs/dbraw/zinc/87/41/00/948874100.db2.gz UEWUJKYDZFSPBV-OAHLLOKOSA-N 2 2 306.410 0.745 20 30 DCEDLP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001264080691 948874121 /nfs/dbraw/zinc/87/41/21/948874121.db2.gz UEWUJKYDZFSPBV-OAHLLOKOSA-N 2 2 306.410 0.745 20 30 DCEDLP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001264582653 949013673 /nfs/dbraw/zinc/01/36/73/949013673.db2.gz GKYNUYRMIYKQLI-UHFFFAOYSA-N 2 2 316.365 0.430 20 30 DCEDLP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001489160682 949567449 /nfs/dbraw/zinc/56/74/49/949567449.db2.gz MEPTUUVPRIMXOT-INIZCTEOSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001489160682 949567467 /nfs/dbraw/zinc/56/74/67/949567467.db2.gz MEPTUUVPRIMXOT-INIZCTEOSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001489160682 949567484 /nfs/dbraw/zinc/56/74/84/949567484.db2.gz MEPTUUVPRIMXOT-INIZCTEOSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001489160682 949567489 /nfs/dbraw/zinc/56/74/89/949567489.db2.gz MEPTUUVPRIMXOT-INIZCTEOSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnon1 ZINC001330836106 950700600 /nfs/dbraw/zinc/70/06/00/950700600.db2.gz MYICFGSANLQLIL-ZFWWWQNUSA-N 2 2 319.409 0.542 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cnon1 ZINC001330836106 950700617 /nfs/dbraw/zinc/70/06/17/950700617.db2.gz MYICFGSANLQLIL-ZFWWWQNUSA-N 2 2 319.409 0.542 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001280601863 950975363 /nfs/dbraw/zinc/97/53/63/950975363.db2.gz VZASWXUVEIMDMK-KGLIPLIRSA-N 2 2 304.394 0.449 20 30 DCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001280608160 950981006 /nfs/dbraw/zinc/98/10/06/950981006.db2.gz CESWIQOYJPERCB-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC001332006626 951433136 /nfs/dbraw/zinc/43/31/36/951433136.db2.gz FFXTXQIIHVAMKZ-LSDHHAIUSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281431217 951496286 /nfs/dbraw/zinc/49/62/86/951496286.db2.gz WTRNDYUEYVZNDC-LSDHHAIUSA-N 2 2 306.410 0.912 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001332528710 951681566 /nfs/dbraw/zinc/68/15/66/951681566.db2.gz KNOOFRRSASZZKN-ZFWWWQNUSA-N 2 2 306.410 0.431 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275208983 952009372 /nfs/dbraw/zinc/00/93/72/952009372.db2.gz OBQVSYKODCXYCF-UONOGXRCSA-N 2 2 304.394 0.190 20 30 DCEDLP C=C(C)CC[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001281821270 953377504 /nfs/dbraw/zinc/37/75/04/953377504.db2.gz ZSOQOASDOVHDPI-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001344435343 953480615 /nfs/dbraw/zinc/48/06/15/953480615.db2.gz GYHOUCVPDCULAD-KRWDZBQOSA-N 2 2 315.417 0.535 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001344435343 953480625 /nfs/dbraw/zinc/48/06/25/953480625.db2.gz GYHOUCVPDCULAD-KRWDZBQOSA-N 2 2 315.417 0.535 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001283554546 954447382 /nfs/dbraw/zinc/44/73/82/954447382.db2.gz RQAWLBUWUPJFKR-INIZCTEOSA-N 2 2 318.421 0.439 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1[C@@H]2CCC[NH2+][C@H]2C1(C)C ZINC001349838757 954903613 /nfs/dbraw/zinc/90/36/13/954903613.db2.gz JPEOKPKAPGKWOM-ZMJPVWNMSA-N 2 2 309.410 0.326 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001284430337 955087005 /nfs/dbraw/zinc/08/70/05/955087005.db2.gz QOEUBMLNGQKLNA-UONOGXRCSA-N 2 2 306.410 0.431 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492047185 959523732 /nfs/dbraw/zinc/52/37/32/959523732.db2.gz NIJJFEOWJFJRLQ-HUUCEWRRSA-N 2 2 318.421 0.580 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001378387747 960686632 /nfs/dbraw/zinc/68/66/32/960686632.db2.gz PJKMHAQQUSRPNR-HIFRSBDPSA-N 2 2 315.845 0.944 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001378387747 960686640 /nfs/dbraw/zinc/68/66/40/960686640.db2.gz PJKMHAQQUSRPNR-HIFRSBDPSA-N 2 2 315.845 0.944 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001374661479 965718504 /nfs/dbraw/zinc/71/85/04/965718504.db2.gz SNVYNDWAMWDPOE-SNVBAGLBSA-N 2 2 319.390 0.152 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001382430098 967365985 /nfs/dbraw/zinc/36/59/85/967365985.db2.gz LXSUYECZSUZEGO-NSHDSACASA-N 2 2 300.790 0.422 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001502875208 1016112334 /nfs/dbraw/zinc/11/23/34/1016112334.db2.gz LZSVKRSLRPUFFD-AWEZNQCLSA-N 2 2 316.405 0.022 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001419099519 1000767663 /nfs/dbraw/zinc/76/76/63/1000767663.db2.gz YXQNBHKUOUDFFK-GXTWGEPZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001419099519 1000767668 /nfs/dbraw/zinc/76/76/68/1000767668.db2.gz YXQNBHKUOUDFFK-GXTWGEPZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507674197 1016515686 /nfs/dbraw/zinc/51/56/86/1016515686.db2.gz BHXBTVVUFJADRX-CQSZACIVSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507674197 1016515699 /nfs/dbraw/zinc/51/56/99/1016515699.db2.gz BHXBTVVUFJADRX-CQSZACIVSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001420139619 1001929899 /nfs/dbraw/zinc/92/98/99/1001929899.db2.gz DBPOWFYPQVHYSQ-AAEUAGOBSA-N 2 2 312.801 0.265 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCOC ZINC001508046159 1016624062 /nfs/dbraw/zinc/62/40/62/1016624062.db2.gz RBILKEIOFBWBKR-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCOC ZINC001508046159 1016624070 /nfs/dbraw/zinc/62/40/70/1016624070.db2.gz RBILKEIOFBWBKR-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001407857831 1004905178 /nfs/dbraw/zinc/90/51/78/1004905178.db2.gz FRDXPXOYOPJLQV-CYBMUJFWSA-N 2 2 312.801 0.532 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001440004976 1007406758 /nfs/dbraw/zinc/40/67/58/1007406758.db2.gz WVMZURGQDBVFGD-DZGCQCFKSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001440004976 1007406769 /nfs/dbraw/zinc/40/67/69/1007406769.db2.gz WVMZURGQDBVFGD-DZGCQCFKSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001440004976 1007406780 /nfs/dbraw/zinc/40/67/80/1007406780.db2.gz WVMZURGQDBVFGD-DZGCQCFKSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001440004976 1007406794 /nfs/dbraw/zinc/40/67/94/1007406794.db2.gz WVMZURGQDBVFGD-DZGCQCFKSA-N 2 2 315.845 0.776 20 30 DCEDLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1C#N ZINC001441794852 1008507502 /nfs/dbraw/zinc/50/75/02/1008507502.db2.gz UXXNVTDQUGPFTL-CJNGLKHVSA-N 2 2 316.405 0.483 20 30 DCEDLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1C#N ZINC001441794852 1008507505 /nfs/dbraw/zinc/50/75/05/1008507505.db2.gz UXXNVTDQUGPFTL-CJNGLKHVSA-N 2 2 316.405 0.483 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001422344363 1009919732 /nfs/dbraw/zinc/91/97/32/1009919732.db2.gz JISSLDHAJNNJEJ-WCQYABFASA-N 2 2 312.801 0.265 20 30 DCEDLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC#CC[NH+](C)C ZINC001565056296 1012546397 /nfs/dbraw/zinc/54/63/97/1012546397.db2.gz CNOIMCCXUSVOQL-HNNXBMFYSA-N 3 2 311.474 0.123 20 30 DCEDLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC#CC[NH+](C)C ZINC001565056296 1012546412 /nfs/dbraw/zinc/54/64/12/1012546412.db2.gz CNOIMCCXUSVOQL-HNNXBMFYSA-N 3 2 311.474 0.123 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001506629851 1017421745 /nfs/dbraw/zinc/42/17/45/1017421745.db2.gz CDNZWDFVKIOKRQ-ZFWWWQNUSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001506629851 1017421756 /nfs/dbraw/zinc/42/17/56/1017421756.db2.gz CDNZWDFVKIOKRQ-ZFWWWQNUSA-N 2 2 322.453 0.209 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001506657753 1017444273 /nfs/dbraw/zinc/44/42/73/1017444273.db2.gz HLIHBUYIGLAWTR-INIZCTEOSA-N 2 2 321.465 0.949 20 30 DCEDLP 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DWTAQJASNJBTIF-UHFFFAOYSA-N 2 2 313.405 0.245 20 30 DCEDLP C#CC[N@@H+](C)CCCNc1nc(NCCO)c2ccccc2[nH+]1 ZINC000491153917 416586894 /nfs/dbraw/zinc/58/68/94/416586894.db2.gz DWTAQJASNJBTIF-UHFFFAOYSA-N 2 2 313.405 0.245 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424164338 416620574 /nfs/dbraw/zinc/62/05/74/416620574.db2.gz CCZUAXONLFVYMG-CHWSQXEVSA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424164338 416620577 /nfs/dbraw/zinc/62/05/77/416620577.db2.gz CCZUAXONLFVYMG-CHWSQXEVSA-N 2 2 310.398 0.103 20 30 DCEDLP N#CCC[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000564853267 416896680 /nfs/dbraw/zinc/89/66/80/416896680.db2.gz AOONMPZCCJFDIR-CQSZACIVSA-N 2 2 316.409 0.785 20 30 DCEDLP C=C[C@](C)(O)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381488 417032214 /nfs/dbraw/zinc/03/22/14/417032214.db2.gz RUWBGCPDCGQCBY-KRWDZBQOSA-N 2 2 309.454 0.942 20 30 DCEDLP C=C[C@](C)(O)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000616381488 417032222 /nfs/dbraw/zinc/03/22/22/417032222.db2.gz RUWBGCPDCGQCBY-KRWDZBQOSA-N 2 2 309.454 0.942 20 30 DCEDLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCN(C)CC1 ZINC000565714340 417011146 /nfs/dbraw/zinc/01/11/46/417011146.db2.gz IWLPCMMJRXICJY-GJZGRUSLSA-N 2 2 309.458 0.396 20 30 DCEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC(=O)NCC#N)c2cc1C ZINC000566674172 417052141 /nfs/dbraw/zinc/05/21/41/417052141.db2.gz CCZDLRQOIKXJKV-CYBMUJFWSA-N 2 2 315.377 0.243 20 30 DCEDLP C=CCOCCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664538483 418131445 /nfs/dbraw/zinc/13/14/45/418131445.db2.gz FEIGSOONKZALEY-UHFFFAOYSA-N 2 2 312.458 0.904 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660707086 418283721 /nfs/dbraw/zinc/28/37/21/418283721.db2.gz LSNSFNTVRWFFGO-INIZCTEOSA-N 2 2 322.453 0.753 20 30 DCEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000552333730 288273016 /nfs/dbraw/zinc/27/30/16/288273016.db2.gz MYWHQSMVGMPNCB-UHFFFAOYSA-N 2 2 311.393 0.799 20 30 DCEDLP C[C@H](C[NH+]=C([O-])N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000330175336 336120836 /nfs/dbraw/zinc/12/08/36/336120836.db2.gz IZCFATQVZCJHDY-OLZOCXBDSA-N 2 2 307.398 0.422 20 30 DCEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000563958288 336388385 /nfs/dbraw/zinc/38/83/85/336388385.db2.gz PMWRBLXWNFPMRQ-GJZGRUSLSA-N 2 2 307.394 0.004 20 30 DCEDLP C[NH+]=C(NCCn1cncn1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261951082 526368243 /nfs/dbraw/zinc/36/82/43/526368243.db2.gz HKJHZCCCJKNHNV-ZIAGYGMSSA-N 2 2 316.413 0.633 20 30 DCEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)NC[C@@H]1CCOC1 ZINC000262804817 526414760 /nfs/dbraw/zinc/41/47/60/526414760.db2.gz NESCFTDHVNGLKY-ZDUSSCGKSA-N 2 2 314.393 0.969 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164257 526603451 /nfs/dbraw/zinc/60/34/51/526603451.db2.gz IGOMDMOXAUGEGG-KGLIPLIRSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164257 526603453 /nfs/dbraw/zinc/60/34/53/526603453.db2.gz IGOMDMOXAUGEGG-KGLIPLIRSA-N 2 2 308.426 0.804 20 30 DCEDLP C=C[C@@H](CO)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358823162 527430858 /nfs/dbraw/zinc/43/08/58/527430858.db2.gz CJFKWBRLTYBXJU-HNNXBMFYSA-N 2 2 324.469 0.783 20 30 DCEDLP C=C[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000358580704 527583215 /nfs/dbraw/zinc/58/32/15/527583215.db2.gz IPFVOKURYXASHM-CYBMUJFWSA-N 2 2 310.442 0.391 20 30 DCEDLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329607189 546052308 /nfs/dbraw/zinc/05/23/08/546052308.db2.gz CIDSWIZFYYQDRZ-CYBMUJFWSA-N 2 2 307.398 0.488 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)[N@H+](C)C1 ZINC000329741042 546054663 /nfs/dbraw/zinc/05/46/63/546054663.db2.gz VTMHREQAXJXOMH-AVGNSLFASA-N 2 2 321.425 0.832 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)[N@@H+](C)C1 ZINC000329741042 546054669 /nfs/dbraw/zinc/05/46/69/546054669.db2.gz VTMHREQAXJXOMH-AVGNSLFASA-N 2 2 321.425 0.832 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)[N@H+](C)C1 ZINC000329741042 546054673 /nfs/dbraw/zinc/05/46/73/546054673.db2.gz VTMHREQAXJXOMH-AVGNSLFASA-N 2 2 321.425 0.832 20 30 DCEDLP CO[C@H]1C[C@@H](CN(C)C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)[N@@H+](C)C1 ZINC000329741042 546054677 /nfs/dbraw/zinc/05/46/77/546054677.db2.gz VTMHREQAXJXOMH-AVGNSLFASA-N 2 2 321.425 0.832 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028136023 661230755 /nfs/dbraw/zinc/23/07/55/661230755.db2.gz ABEMSBMBWUFDBK-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028136023 661230757 /nfs/dbraw/zinc/23/07/57/661230757.db2.gz ABEMSBMBWUFDBK-CABCVRRESA-N 2 2 300.406 0.968 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000971780575 657661397 /nfs/dbraw/zinc/66/13/97/657661397.db2.gz DXRQCRAIEGZWDO-MGPQQGTHSA-N 2 2 315.845 0.991 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000971780575 657661402 /nfs/dbraw/zinc/66/14/02/657661402.db2.gz DXRQCRAIEGZWDO-MGPQQGTHSA-N 2 2 315.845 0.991 20 30 DCEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971780575 657661405 /nfs/dbraw/zinc/66/14/05/657661405.db2.gz DXRQCRAIEGZWDO-MGPQQGTHSA-N 2 2 315.845 0.991 20 30 DCEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000971780575 657661410 /nfs/dbraw/zinc/66/14/10/657661410.db2.gz DXRQCRAIEGZWDO-MGPQQGTHSA-N 2 2 315.845 0.991 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972552899 657761900 /nfs/dbraw/zinc/76/19/00/657761900.db2.gz VGSGDYRQNUUSLM-RDJZCZTQSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972552899 657761911 /nfs/dbraw/zinc/76/19/11/657761911.db2.gz VGSGDYRQNUUSLM-RDJZCZTQSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972552899 657761919 /nfs/dbraw/zinc/76/19/19/657761919.db2.gz VGSGDYRQNUUSLM-RDJZCZTQSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972552899 657761926 /nfs/dbraw/zinc/76/19/26/657761926.db2.gz VGSGDYRQNUUSLM-RDJZCZTQSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447080 657875748 /nfs/dbraw/zinc/87/57/48/657875748.db2.gz FIXMBKOBORANOX-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011766 658159122 /nfs/dbraw/zinc/15/91/22/658159122.db2.gz KLGXVHGNJOOSPF-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011766 658159125 /nfs/dbraw/zinc/15/91/25/658159125.db2.gz KLGXVHGNJOOSPF-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000972011766 658159128 /nfs/dbraw/zinc/15/91/28/658159128.db2.gz KLGXVHGNJOOSPF-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000972011766 658159132 /nfs/dbraw/zinc/15/91/32/658159132.db2.gz KLGXVHGNJOOSPF-SJORKVTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972159794 658394661 /nfs/dbraw/zinc/39/46/61/658394661.db2.gz YYYNFMRKCFOEBR-IRXDYDNUSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972159794 658394673 /nfs/dbraw/zinc/39/46/73/658394673.db2.gz YYYNFMRKCFOEBR-IRXDYDNUSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972159794 658394685 /nfs/dbraw/zinc/39/46/85/658394685.db2.gz YYYNFMRKCFOEBR-IRXDYDNUSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972159794 658394695 /nfs/dbraw/zinc/39/46/95/658394695.db2.gz YYYNFMRKCFOEBR-IRXDYDNUSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000971575931 658822971 /nfs/dbraw/zinc/82/29/71/658822971.db2.gz LATMHTJZFZIECQ-HNNXBMFYSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000971575931 658822979 /nfs/dbraw/zinc/82/29/79/658822979.db2.gz LATMHTJZFZIECQ-HNNXBMFYSA-N 2 2 300.406 0.928 20 30 DCEDLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1N=CC=CC1=O ZINC000925600928 659320185 /nfs/dbraw/zinc/32/01/85/659320185.db2.gz GLKJSPZCCUIXGR-LTOKCNDWSA-N 2 2 304.394 0.777 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639351 661712184 /nfs/dbraw/zinc/71/21/84/661712184.db2.gz WSKPKRCQGDGKEU-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639351 661712186 /nfs/dbraw/zinc/71/21/86/661712186.db2.gz WSKPKRCQGDGKEU-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641167 661713751 /nfs/dbraw/zinc/71/37/51/661713751.db2.gz CBZIINWWLFGJRZ-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641167 661713753 /nfs/dbraw/zinc/71/37/53/661713753.db2.gz CBZIINWWLFGJRZ-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693186 663272644 /nfs/dbraw/zinc/27/26/44/663272644.db2.gz OGDJYADPHSUMIH-UHFFFAOYSA-N 3 2 310.486 0.979 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693186 663272647 /nfs/dbraw/zinc/27/26/47/663272647.db2.gz OGDJYADPHSUMIH-UHFFFAOYSA-N 3 2 310.486 0.979 20 30 DCEDLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC#CC[NH+](C)C)cc1 ZINC000913524167 664335568 /nfs/dbraw/zinc/33/55/68/664335568.db2.gz CGSXSHPNBBSQFL-QGZVFWFLSA-N 2 2 315.417 0.951 20 30 DCEDLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC#CC[NH+](C)C)cc1 ZINC000913524167 664335570 /nfs/dbraw/zinc/33/55/70/664335570.db2.gz CGSXSHPNBBSQFL-QGZVFWFLSA-N 2 2 315.417 0.951 20 30 DCEDLP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC000992853560 664779763 /nfs/dbraw/zinc/77/97/63/664779763.db2.gz JROUYXCHPJVQPP-VNQPRFMTSA-N 2 2 300.406 0.813 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437118 665998491 /nfs/dbraw/zinc/99/84/91/665998491.db2.gz SDOXUONASXKNTN-KRWDZBQOSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487524 666006892 /nfs/dbraw/zinc/00/68/92/666006892.db2.gz MGJZLBMOZNQALU-UHFFFAOYSA-N 2 2 323.400 0.410 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001032827206 666207364 /nfs/dbraw/zinc/20/73/64/666207364.db2.gz YAUDBPUDVOSCEK-ULQDDVLXSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001032827206 666207365 /nfs/dbraw/zinc/20/73/65/666207365.db2.gz YAUDBPUDVOSCEK-ULQDDVLXSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001032827206 666207366 /nfs/dbraw/zinc/20/73/66/666207366.db2.gz YAUDBPUDVOSCEK-ULQDDVLXSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@H]2CCOC2)C1 ZINC001032827206 666207368 /nfs/dbraw/zinc/20/73/68/666207368.db2.gz YAUDBPUDVOSCEK-ULQDDVLXSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000922024917 666230796 /nfs/dbraw/zinc/23/07/96/666230796.db2.gz KLZQWHUVJSHTIX-UHFFFAOYSA-N 2 2 310.423 0.242 20 30 DCEDLP C#CCN(C(=O)NCCc1cn(C)c[nH+]1)C1CC[NH+](C)CC1 ZINC000922827906 666533435 /nfs/dbraw/zinc/53/34/35/666533435.db2.gz VTSIZYUULOWGPK-UHFFFAOYSA-N 2 2 303.410 0.702 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001691386538 1157659131 /nfs/dbraw/zinc/65/91/31/1157659131.db2.gz XPYHTFKMWSHZNM-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001691386538 1157659136 /nfs/dbraw/zinc/65/91/36/1157659136.db2.gz XPYHTFKMWSHZNM-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366517 666689678 /nfs/dbraw/zinc/68/96/78/666689678.db2.gz RYERECJOMVPJSF-HOCLYGCPSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366517 666689680 /nfs/dbraw/zinc/68/96/80/666689680.db2.gz RYERECJOMVPJSF-HOCLYGCPSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995983081 666726015 /nfs/dbraw/zinc/72/60/15/666726015.db2.gz WRVJLIYBYRDZAL-UONOGXRCSA-N 2 2 300.406 0.905 20 30 DCEDLP Cc1cc([N-][NH+]=Cc2cnc(N3CC[NH+](C)CC3)nc2)cc[nH+]1 ZINC000863159355 667114870 /nfs/dbraw/zinc/11/48/70/667114870.db2.gz NGMWHRKNZUOIRO-UHFFFAOYSA-N 2 2 311.393 0.800 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409247 667186829 /nfs/dbraw/zinc/18/68/29/667186829.db2.gz HPTFFDARYWGNJP-GJZGRUSLSA-N 2 2 315.421 0.367 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032409247 667186831 /nfs/dbraw/zinc/18/68/31/667186831.db2.gz HPTFFDARYWGNJP-GJZGRUSLSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)CC1 ZINC000997378368 667283526 /nfs/dbraw/zinc/28/35/26/667283526.db2.gz GVGLYAYWUFCCCK-INIZCTEOSA-N 2 2 300.406 0.898 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC=C)CCO1 ZINC001035399727 667324657 /nfs/dbraw/zinc/32/46/57/667324657.db2.gz GGXCXJGZGOLNRN-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC=C)CCO1 ZINC001035399727 667324659 /nfs/dbraw/zinc/32/46/59/667324659.db2.gz GGXCXJGZGOLNRN-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC=C)CCO1 ZINC001035399727 667324660 /nfs/dbraw/zinc/32/46/60/667324660.db2.gz GGXCXJGZGOLNRN-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC=C)CCO1 ZINC001035399727 667324662 /nfs/dbraw/zinc/32/46/62/667324662.db2.gz GGXCXJGZGOLNRN-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001035608207 667391275 /nfs/dbraw/zinc/39/12/75/667391275.db2.gz YZMOBGZDXLGNED-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001035608207 667391277 /nfs/dbraw/zinc/39/12/77/667391277.db2.gz YZMOBGZDXLGNED-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001035608207 667391279 /nfs/dbraw/zinc/39/12/79/667391279.db2.gz YZMOBGZDXLGNED-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001035608207 667391281 /nfs/dbraw/zinc/39/12/81/667391281.db2.gz YZMOBGZDXLGNED-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000884184456 667492730 /nfs/dbraw/zinc/49/27/30/667492730.db2.gz QFVAKVITFCJNAA-AWEZNQCLSA-N 2 2 311.426 0.764 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000884208502 667499246 /nfs/dbraw/zinc/49/92/46/667499246.db2.gz BUJABAFKFZUIRL-HNNXBMFYSA-N 2 2 323.437 0.910 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000884208502 667499249 /nfs/dbraw/zinc/49/92/49/667499249.db2.gz BUJABAFKFZUIRL-HNNXBMFYSA-N 2 2 323.437 0.910 20 30 DCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884211670 667500749 /nfs/dbraw/zinc/50/07/49/667500749.db2.gz LHVLSAWEAKLPLR-XOYHFGRZSA-N 2 2 320.437 0.353 20 30 DCEDLP CC1(C)COCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884211670 667500751 /nfs/dbraw/zinc/50/07/51/667500751.db2.gz LHVLSAWEAKLPLR-XOYHFGRZSA-N 2 2 320.437 0.353 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000743319128 667806732 /nfs/dbraw/zinc/80/67/32/667806732.db2.gz GRPUUQOTXHQUOJ-QGZVFWFLSA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCCO1 ZINC000775346543 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UFMIFEUAUCIGRI-SOUVJXGZSA-N 2 2 312.417 0.846 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH]c(C)[nH+]c4C3)C[C@H]2C1 ZINC001048904494 755008548 /nfs/dbraw/zinc/00/85/48/755008548.db2.gz UFMIFEUAUCIGRI-SOUVJXGZSA-N 2 2 312.417 0.846 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048908757 755010058 /nfs/dbraw/zinc/01/00/58/755010058.db2.gz VIARSSWZAUBLAD-HRCADAONSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048908757 755010061 /nfs/dbraw/zinc/01/00/61/755010061.db2.gz VIARSSWZAUBLAD-HRCADAONSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@H]2C1 ZINC001049166408 755159795 /nfs/dbraw/zinc/15/97/95/755159795.db2.gz ALQMTBWMUBFPGP-GASCZTMLSA-N 2 2 321.384 0.904 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)cn3)C[C@H]2C1 ZINC001049166408 755159800 /nfs/dbraw/zinc/15/98/00/755159800.db2.gz ALQMTBWMUBFPGP-GASCZTMLSA-N 2 2 321.384 0.904 20 30 DCEDLP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001049391474 755247585 /nfs/dbraw/zinc/24/75/85/755247585.db2.gz LSTWLAKMLLXAMA-BZUAXINKSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001049391474 755247587 /nfs/dbraw/zinc/24/75/87/755247587.db2.gz LSTWLAKMLLXAMA-BZUAXINKSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049391474 755247591 /nfs/dbraw/zinc/24/75/91/755247591.db2.gz LSTWLAKMLLXAMA-BZUAXINKSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049391474 755247593 /nfs/dbraw/zinc/24/75/93/755247593.db2.gz LSTWLAKMLLXAMA-BZUAXINKSA-N 2 2 307.438 0.958 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090307358 755491639 /nfs/dbraw/zinc/49/16/39/755491639.db2.gz OKNJNNMJPYRDQQ-KGLIPLIRSA-N 2 2 321.446 0.608 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090307358 755491644 /nfs/dbraw/zinc/49/16/44/755491644.db2.gz OKNJNNMJPYRDQQ-KGLIPLIRSA-N 2 2 321.446 0.608 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](CC)C3)C2)CC1 ZINC001053541107 756084996 /nfs/dbraw/zinc/08/49/96/756084996.db2.gz SIICVAUTRREDPH-UHFFFAOYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053802977 756213945 /nfs/dbraw/zinc/21/39/45/756213945.db2.gz HXQNBJIVCOENKK-HZPDHXFCSA-N 2 2 317.433 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001053964672 756300608 /nfs/dbraw/zinc/30/06/08/756300608.db2.gz MBSFRWAXJPKLAR-MRXNPFEDSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090383027 757277128 /nfs/dbraw/zinc/27/71/28/757277128.db2.gz WLNCTAQPCZJFOM-HIFRSBDPSA-N 2 2 322.409 0.477 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090383027 757277136 /nfs/dbraw/zinc/27/71/36/757277136.db2.gz WLNCTAQPCZJFOM-HIFRSBDPSA-N 2 2 322.409 0.477 20 30 DCEDLP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001084405597 757837602 /nfs/dbraw/zinc/83/76/02/757837602.db2.gz UXNODEWZESJQKX-OAGGEKHMSA-N 2 2 317.437 0.532 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)[C@@H]2C1 ZINC001084405597 757837617 /nfs/dbraw/zinc/83/76/17/757837617.db2.gz UXNODEWZESJQKX-OAGGEKHMSA-N 2 2 317.437 0.532 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001084805492 758052445 /nfs/dbraw/zinc/05/24/45/758052445.db2.gz QURAKYNRGPYCTA-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001084805492 758052456 /nfs/dbraw/zinc/05/24/56/758052456.db2.gz QURAKYNRGPYCTA-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)C1CC1 ZINC001052036878 759133090 /nfs/dbraw/zinc/13/30/90/759133090.db2.gz WTHOXCBEONKQHW-CVEARBPZSA-N 2 2 319.453 0.069 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052043443 759137439 /nfs/dbraw/zinc/13/74/39/759137439.db2.gz YFWPWEIOZVQTLV-IAGOWNOFSA-N 2 2 320.481 0.568 20 30 DCEDLP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052045132 759138106 /nfs/dbraw/zinc/13/81/06/759138106.db2.gz QBKYOGGFJSNQPG-IRXDYDNUSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052045132 759138115 /nfs/dbraw/zinc/13/81/15/759138115.db2.gz QBKYOGGFJSNQPG-IRXDYDNUSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052045132 759138119 /nfs/dbraw/zinc/13/81/19/759138119.db2.gz QBKYOGGFJSNQPG-IRXDYDNUSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052045132 759138125 /nfs/dbraw/zinc/13/81/25/759138125.db2.gz QBKYOGGFJSNQPG-IRXDYDNUSA-N 2 2 320.481 0.875 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001086408515 760151821 /nfs/dbraw/zinc/15/18/21/760151821.db2.gz SRXSNZRRZCIMKV-IHRRRGAJSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001086408515 760151827 /nfs/dbraw/zinc/15/18/27/760151827.db2.gz SRXSNZRRZCIMKV-IHRRRGAJSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001086456370 760210754 /nfs/dbraw/zinc/21/07/54/760210754.db2.gz CYKKAKYIOLYQII-BFYDXBDKSA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001086456370 760210760 /nfs/dbraw/zinc/21/07/60/760210760.db2.gz CYKKAKYIOLYQII-BFYDXBDKSA-N 2 2 319.449 0.747 20 30 DCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001108410904 760501104 /nfs/dbraw/zinc/50/11/04/760501104.db2.gz VKXIJXRUVQPJID-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001108410904 760501112 /nfs/dbraw/zinc/50/11/12/760501112.db2.gz VKXIJXRUVQPJID-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001108410904 760501117 /nfs/dbraw/zinc/50/11/17/760501117.db2.gz VKXIJXRUVQPJID-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001108410904 760501122 /nfs/dbraw/zinc/50/11/22/760501122.db2.gz VKXIJXRUVQPJID-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108572365 760913104 /nfs/dbraw/zinc/91/31/04/760913104.db2.gz SMGZDHBICQQZTA-CZUORRHYSA-N 2 2 322.453 0.160 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1c1cn(C)cn1 ZINC001070570504 761320315 /nfs/dbraw/zinc/32/03/15/761320315.db2.gz SRSIWHNSOZJQOT-DZGCQCFKSA-N 2 2 314.393 0.387 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071193063 761695056 /nfs/dbraw/zinc/69/50/56/761695056.db2.gz VWVTZEAIXWXQFQ-NVXWUHKLSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071193063 761695059 /nfs/dbraw/zinc/69/50/59/761695059.db2.gz VWVTZEAIXWXQFQ-NVXWUHKLSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071217025 761712612 /nfs/dbraw/zinc/71/26/12/761712612.db2.gz ZKFJKJFXTKCABX-RHSMWYFYSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071217025 761712618 /nfs/dbraw/zinc/71/26/18/761712618.db2.gz ZKFJKJFXTKCABX-RHSMWYFYSA-N 2 2 316.405 0.667 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111465342 762795941 /nfs/dbraw/zinc/79/59/41/762795941.db2.gz QGBOBSMNHLTJPH-KFWWJZLASA-N 2 2 322.453 0.350 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111465342 762795947 /nfs/dbraw/zinc/79/59/47/762795947.db2.gz QGBOBSMNHLTJPH-KFWWJZLASA-N 2 2 322.453 0.350 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465342 762795953 /nfs/dbraw/zinc/79/59/53/762795953.db2.gz QGBOBSMNHLTJPH-KFWWJZLASA-N 2 2 322.453 0.350 20 30 DCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111465342 762795956 /nfs/dbraw/zinc/79/59/56/762795956.db2.gz QGBOBSMNHLTJPH-KFWWJZLASA-N 2 2 322.453 0.350 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001086913207 768090040 /nfs/dbraw/zinc/09/00/40/768090040.db2.gz KECHIIVCHJZTGL-CVEARBPZSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001086913207 768090044 /nfs/dbraw/zinc/09/00/44/768090044.db2.gz KECHIIVCHJZTGL-CVEARBPZSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(Cl)n1C ZINC001129771429 763009063 /nfs/dbraw/zinc/00/90/63/763009063.db2.gz XCHVOXMHENXSOD-LBPRGKRZSA-N 2 2 323.828 0.377 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(Cl)n1C ZINC001129771429 763009067 /nfs/dbraw/zinc/00/90/67/763009067.db2.gz XCHVOXMHENXSOD-LBPRGKRZSA-N 2 2 323.828 0.377 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927938 763131999 /nfs/dbraw/zinc/13/19/99/763131999.db2.gz GNZARSSRLZIRNE-KBPBESRZSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099927938 763132006 /nfs/dbraw/zinc/13/20/06/763132006.db2.gz GNZARSSRLZIRNE-KBPBESRZSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929297 763134717 /nfs/dbraw/zinc/13/47/17/763134717.db2.gz WHBOUQUKCHZIDZ-CABCVRRESA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929297 763134725 /nfs/dbraw/zinc/13/47/25/763134725.db2.gz WHBOUQUKCHZIDZ-CABCVRRESA-N 2 2 320.437 0.870 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCCN(C)c2cc[nH+]c(C)n2)CC1 ZINC001100144320 763351517 /nfs/dbraw/zinc/35/15/17/763351517.db2.gz AFWKAHJFFWGMPG-UHFFFAOYSA-N 2 2 315.421 0.683 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100791660 763790546 /nfs/dbraw/zinc/79/05/46/763790546.db2.gz OXWMPQXTSGBSBY-HIFPTAJRSA-N 2 2 319.409 0.127 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376981 764428492 /nfs/dbraw/zinc/42/84/92/764428492.db2.gz SCYVGOBGMCEUIK-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132376981 764428489 /nfs/dbraw/zinc/42/84/89/764428489.db2.gz SCYVGOBGMCEUIK-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441088 764462043 /nfs/dbraw/zinc/46/20/43/764462043.db2.gz KJBWHZLTIICJFC-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441088 764462047 /nfs/dbraw/zinc/46/20/47/764462047.db2.gz KJBWHZLTIICJFC-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441088 764462051 /nfs/dbraw/zinc/46/20/51/764462051.db2.gz KJBWHZLTIICJFC-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441088 764462053 /nfs/dbraw/zinc/46/20/53/764462053.db2.gz KJBWHZLTIICJFC-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485860 764478837 /nfs/dbraw/zinc/47/88/37/764478837.db2.gz KUNMGEJQRQTFEM-GOEBONIOSA-N 2 2 318.421 0.810 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485860 764478838 /nfs/dbraw/zinc/47/88/38/764478838.db2.gz KUNMGEJQRQTFEM-GOEBONIOSA-N 2 2 318.421 0.810 20 30 DCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085022 764520033 /nfs/dbraw/zinc/52/00/33/764520033.db2.gz VFTRRFHBMQOQMZ-UKRRQHHQSA-N 2 2 301.390 0.950 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001102085022 764520038 /nfs/dbraw/zinc/52/00/38/764520038.db2.gz VFTRRFHBMQOQMZ-UKRRQHHQSA-N 2 2 301.390 0.950 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406427 764631248 /nfs/dbraw/zinc/63/12/48/764631248.db2.gz SBIRILVGBIZKGY-ZIAGYGMSSA-N 2 2 304.394 0.286 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406427 764631253 /nfs/dbraw/zinc/63/12/53/764631253.db2.gz SBIRILVGBIZKGY-ZIAGYGMSSA-N 2 2 304.394 0.286 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531958 764682270 /nfs/dbraw/zinc/68/22/70/764682270.db2.gz NHMUTFAILDVBPF-UKRRQHHQSA-N 2 2 318.421 0.595 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531958 764682282 /nfs/dbraw/zinc/68/22/82/764682282.db2.gz NHMUTFAILDVBPF-UKRRQHHQSA-N 2 2 318.421 0.595 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133196212 764871311 /nfs/dbraw/zinc/87/13/11/764871311.db2.gz UGYPRFJZAUFKJE-GJZGRUSLSA-N 2 2 318.421 0.676 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171273 765469624 /nfs/dbraw/zinc/46/96/24/765469624.db2.gz ASLJQVMXJYIULH-VXGBXAGGSA-N 2 2 314.311 0.954 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001098489390 766079558 /nfs/dbraw/zinc/07/95/58/766079558.db2.gz UAGYLCIOCSGYDR-OAHLLOKOSA-N 2 2 318.421 0.753 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001098489390 766079564 /nfs/dbraw/zinc/07/95/64/766079564.db2.gz UAGYLCIOCSGYDR-OAHLLOKOSA-N 2 2 318.421 0.753 20 30 DCEDLP C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507148 769113175 /nfs/dbraw/zinc/11/31/75/769113175.db2.gz CUJQBMSYXDNKJH-AWEZNQCLSA-N 2 2 322.409 0.362 20 30 DCEDLP C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507148 769113178 /nfs/dbraw/zinc/11/31/78/769113178.db2.gz CUJQBMSYXDNKJH-AWEZNQCLSA-N 2 2 322.409 0.362 20 30 DCEDLP CC#CC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001151415252 769333694 /nfs/dbraw/zinc/33/36/94/769333694.db2.gz KNEMBBLEIVICSQ-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CCC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001151415181 769334659 /nfs/dbraw/zinc/33/46/59/769334659.db2.gz GNNHAMRBOWYAAV-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1[nH+]ccn1C)C2 ZINC001094965527 769513587 /nfs/dbraw/zinc/51/35/87/769513587.db2.gz KPERXYAUCQTRDQ-ZNMIVQPWSA-N 2 2 300.406 0.955 20 30 DCEDLP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487753 769826479 /nfs/dbraw/zinc/82/64/79/769826479.db2.gz MXKUMARJILLPTF-UHFFFAOYSA-N 2 2 313.361 0.669 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001182718560 771532669 /nfs/dbraw/zinc/53/26/69/771532669.db2.gz HBUYYISGUICACI-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP COc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1C#N ZINC001158259110 771748323 /nfs/dbraw/zinc/74/83/23/771748323.db2.gz NXFGHGURMIYIOF-ZDUSSCGKSA-N 2 2 301.394 0.964 20 30 DCEDLP COc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1C#N ZINC001158259110 771748328 /nfs/dbraw/zinc/74/83/28/771748328.db2.gz NXFGHGURMIYIOF-ZDUSSCGKSA-N 2 2 301.394 0.964 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001184575298 771800290 /nfs/dbraw/zinc/80/02/90/771800290.db2.gz CMTZCRUGANQJAQ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001184575298 771800295 /nfs/dbraw/zinc/80/02/95/771800295.db2.gz CMTZCRUGANQJAQ-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CC2 ZINC001159653109 771939570 /nfs/dbraw/zinc/93/95/70/771939570.db2.gz ORBNUSPHQVQGAS-ZQIUZPCESA-N 2 2 320.437 0.235 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001159832037 771965929 /nfs/dbraw/zinc/96/59/29/771965929.db2.gz AUXLDODIUDDNQN-IOASZLSFSA-N 2 2 318.446 0.917 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001159832037 771965930 /nfs/dbraw/zinc/96/59/30/771965930.db2.gz AUXLDODIUDDNQN-IOASZLSFSA-N 2 2 318.446 0.917 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336984 772026546 /nfs/dbraw/zinc/02/65/46/772026546.db2.gz QCWGNUOFXDLKDJ-YNEHKIRRSA-N 2 2 319.409 0.300 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336984 772026550 /nfs/dbraw/zinc/02/65/50/772026550.db2.gz QCWGNUOFXDLKDJ-YNEHKIRRSA-N 2 2 319.409 0.300 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942879 772568139 /nfs/dbraw/zinc/56/81/39/772568139.db2.gz YZTZSGYTVZHVLK-GOEBONIOSA-N 2 2 318.421 0.996 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189942879 772568143 /nfs/dbraw/zinc/56/81/43/772568143.db2.gz YZTZSGYTVZHVLK-GOEBONIOSA-N 2 2 318.421 0.996 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408026 772808644 /nfs/dbraw/zinc/80/86/44/772808644.db2.gz GMCNKKLFDCHOGL-CYBMUJFWSA-N 2 2 304.394 0.575 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561064 772933133 /nfs/dbraw/zinc/93/31/33/772933133.db2.gz WVEGOKJUVILONP-GXTWGEPZSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561064 772933136 /nfs/dbraw/zinc/93/31/36/772933136.db2.gz WVEGOKJUVILONP-GXTWGEPZSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001194243760 773167642 /nfs/dbraw/zinc/16/76/42/773167642.db2.gz CQEJXYMZINLXJF-RBSFLKMASA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001194243760 773167644 /nfs/dbraw/zinc/16/76/44/773167644.db2.gz CQEJXYMZINLXJF-RBSFLKMASA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198276293 773890027 /nfs/dbraw/zinc/89/00/27/773890027.db2.gz UCWGNIJZHKMMIP-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803061 774139031 /nfs/dbraw/zinc/13/90/31/774139031.db2.gz OGXXTUIOFYYKDO-DJIMGWMZSA-N 2 2 319.449 0.557 20 30 DCEDLP N#Cc1c2c(sc1NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C[NH2+]CC2 ZINC001218555268 774246201 /nfs/dbraw/zinc/24/62/01/774246201.db2.gz ZGRDZRFWYNGBCM-HFAKWTLXSA-N 3 2 317.418 0.426 20 30 DCEDLP N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218718112 774287410 /nfs/dbraw/zinc/28/74/10/774287410.db2.gz MAAMCZGOFURCMD-STQMWFEESA-N 2 2 308.345 0.643 20 30 DCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(C#N)c(C#N)cc1N ZINC001218988215 774343004 /nfs/dbraw/zinc/34/30/04/774343004.db2.gz WXPPOROQMYZHFC-ZDUSSCGKSA-N 2 2 309.333 0.254 20 30 DCEDLP COC(=O)c1cc(C#N)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219132022 774382210 /nfs/dbraw/zinc/38/22/10/774382210.db2.gz JXJBHCZEAKDIJP-ZDUSSCGKSA-N 2 2 313.317 0.576 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200727762 774393508 /nfs/dbraw/zinc/39/35/08/774393508.db2.gz CWSPSFDVIMEJDM-BFHYXJOUSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200727762 774393510 /nfs/dbraw/zinc/39/35/10/774393510.db2.gz CWSPSFDVIMEJDM-BFHYXJOUSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201611690 774532164 /nfs/dbraw/zinc/53/21/64/774532164.db2.gz ICUDGDOHOIEKNM-ZFWWWQNUSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201611690 774532165 /nfs/dbraw/zinc/53/21/65/774532165.db2.gz ICUDGDOHOIEKNM-ZFWWWQNUSA-N 2 2 306.410 0.981 20 30 DCEDLP Cc1ccc(C(=NO)NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)nc1 ZINC001220336884 774776371 /nfs/dbraw/zinc/77/63/71/774776371.db2.gz GAKLESPMXJNUKY-ZDUSSCGKSA-N 2 2 313.361 0.914 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001224298516 775555581 /nfs/dbraw/zinc/55/55/81/775555581.db2.gz 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20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269154 415523853 /nfs/dbraw/zinc/52/38/53/415523853.db2.gz AJPFCPBRRLLAAG-UHFFFAOYSA-N 2 2 323.485 0.706 20 30 DCEDLP CCN(CCC#N)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000089269154 415523860 /nfs/dbraw/zinc/52/38/60/415523860.db2.gz AJPFCPBRRLLAAG-UHFFFAOYSA-N 2 2 323.485 0.706 20 30 DCEDLP CCN(CCC#N)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000089269154 415523866 /nfs/dbraw/zinc/52/38/66/415523866.db2.gz AJPFCPBRRLLAAG-UHFFFAOYSA-N 2 2 323.485 0.706 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027746 415833781 /nfs/dbraw/zinc/83/37/81/415833781.db2.gz DHAIMJRFLBBCBL-LSDHHAIUSA-N 2 2 308.470 0.777 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027746 415833785 /nfs/dbraw/zinc/83/37/85/415833785.db2.gz DHAIMJRFLBBCBL-LSDHHAIUSA-N 2 2 308.470 0.777 20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000337190541 415924463 /nfs/dbraw/zinc/92/44/63/415924463.db2.gz SPENTSMZSOPQJJ-INIZCTEOSA-N 2 2 308.470 0.731 20 30 DCEDLP C=CCN1CC[C@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000337190541 415924466 /nfs/dbraw/zinc/92/44/66/415924466.db2.gz SPENTSMZSOPQJJ-INIZCTEOSA-N 2 2 308.470 0.731 20 30 DCEDLP C=CCN1CC[C@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000337190541 415924469 /nfs/dbraw/zinc/92/44/69/415924469.db2.gz SPENTSMZSOPQJJ-INIZCTEOSA-N 2 2 308.470 0.731 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329581495 416178502 /nfs/dbraw/zinc/17/85/02/416178502.db2.gz ADQXWDVVCWMBGT-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000329581495 416178504 /nfs/dbraw/zinc/17/85/04/416178504.db2.gz ADQXWDVVCWMBGT-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329581495 416178507 /nfs/dbraw/zinc/17/85/07/416178507.db2.gz ADQXWDVVCWMBGT-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329581495 416178511 /nfs/dbraw/zinc/17/85/11/416178511.db2.gz ADQXWDVVCWMBGT-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329854013 416191988 /nfs/dbraw/zinc/19/19/88/416191988.db2.gz SJWHDCPIJRFRKF-ZDUSSCGKSA-N 2 2 306.414 0.249 20 30 DCEDLP CC[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330282359 416200531 /nfs/dbraw/zinc/20/05/31/416200531.db2.gz VHTCGBMBPUJRHU-KGLIPLIRSA-N 2 2 321.425 0.500 20 30 DCEDLP CCOC1CC(C[NH+]=C(N(C)C)N(C)C)([NH+]2CCOCC2)C1 ZINC000193827759 416319776 /nfs/dbraw/zinc/31/97/76/416319776.db2.gz MUCBCUQVPRQPGP-UHFFFAOYSA-N 2 2 312.458 0.736 20 30 DCEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262451590 416336670 /nfs/dbraw/zinc/33/66/70/416336670.db2.gz JYQHVTWGIDPLLB-ZFWWWQNUSA-N 2 2 320.441 0.115 20 30 DCEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262451590 416336671 /nfs/dbraw/zinc/33/66/71/416336671.db2.gz JYQHVTWGIDPLLB-ZFWWWQNUSA-N 2 2 320.441 0.115 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491327545 416596447 /nfs/dbraw/zinc/59/64/47/416596447.db2.gz WIKZFGFKUZDVHP-HOTGVXAUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491327545 416596449 /nfs/dbraw/zinc/59/64/49/416596449.db2.gz WIKZFGFKUZDVHP-HOTGVXAUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000491451937 416599980 /nfs/dbraw/zinc/59/99/80/416599980.db2.gz IJMFCYDFOMZGSD-DJIMGWMZSA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000491142560 416587910 /nfs/dbraw/zinc/58/79/10/416587910.db2.gz CWLGYSCBDIWNJP-OAHLLOKOSA-N 2 2 310.401 0.986 20 30 DCEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000576029782 417574308 /nfs/dbraw/zinc/57/43/08/417574308.db2.gz ATCPWIVGSHACOO-HUUCEWRRSA-N 2 2 305.426 0.962 20 30 DCEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000576029782 417574310 /nfs/dbraw/zinc/57/43/10/417574310.db2.gz ATCPWIVGSHACOO-HUUCEWRRSA-N 2 2 305.426 0.962 20 30 DCEDLP CC#CC[NH2+]Cc1cn([C@@H](C)C(=O)N2CC[NH+](CC)CC2)nn1 ZINC000640831237 417925476 /nfs/dbraw/zinc/92/54/76/417925476.db2.gz SCFWGYQTYMRBOC-AWEZNQCLSA-N 2 2 318.425 0.116 20 30 DCEDLP C=C[C@H](CO)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662165822 418386335 /nfs/dbraw/zinc/38/63/35/418386335.db2.gz PQURFGBTMPEEJY-OAHLLOKOSA-N 2 2 319.405 0.594 20 30 DCEDLP Cc1onc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C#N ZINC000354529851 261233127 /nfs/dbraw/zinc/23/31/27/261233127.db2.gz GEZZODSZRPUFIU-UHFFFAOYSA-N 2 2 319.409 0.539 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2[C@H](O)CC)CC1 ZINC000304734553 340368126 /nfs/dbraw/zinc/36/81/26/340368126.db2.gz RWQDYDJDNYYLDY-JKSUJKDBSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2[C@H](O)CC)CC1 ZINC000304734553 340368127 /nfs/dbraw/zinc/36/81/27/340368127.db2.gz RWQDYDJDNYYLDY-JKSUJKDBSA-N 2 2 307.438 0.389 20 30 DCEDLP C[NH+]=C(NCCN1CCOCC1)NCc1cn2c([nH+]1)CCCC2 ZINC000265000859 526359675 /nfs/dbraw/zinc/35/96/75/526359675.db2.gz VSUDAEKUNRQWDZ-UHFFFAOYSA-N 2 2 320.441 0.217 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)NCc1ccc2c(c1)OCO2 ZINC000262606250 526367870 /nfs/dbraw/zinc/36/78/70/526367870.db2.gz BQDKCVARVKADEH-UHFFFAOYSA-N 2 2 301.350 0.977 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365650499 526589473 /nfs/dbraw/zinc/58/94/73/526589473.db2.gz RRAWPASKRJHPKF-GFCCVEGCSA-N 2 2 305.382 0.611 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365650499 526589479 /nfs/dbraw/zinc/58/94/79/526589479.db2.gz RRAWPASKRJHPKF-GFCCVEGCSA-N 2 2 305.382 0.611 20 30 DCEDLP C[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000329500834 546049932 /nfs/dbraw/zinc/04/99/32/546049932.db2.gz KGJISNNFMWRWDP-KBPBESRZSA-N 2 2 310.442 0.861 20 30 DCEDLP C[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000329500834 546049937 /nfs/dbraw/zinc/04/99/37/546049937.db2.gz KGJISNNFMWRWDP-KBPBESRZSA-N 2 2 310.442 0.861 20 30 DCEDLP C=CC[C@@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678777873 548004024 /nfs/dbraw/zinc/00/40/24/548004024.db2.gz FXYHIZPJCVUSRX-HUUCEWRRSA-N 2 2 324.469 0.639 20 30 DCEDLP C=CC[C@@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678777873 548004029 /nfs/dbraw/zinc/00/40/29/548004029.db2.gz FXYHIZPJCVUSRX-HUUCEWRRSA-N 2 2 324.469 0.639 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001667581165 1174693071 /nfs/dbraw/zinc/69/30/71/1174693071.db2.gz YKJIMSOKQFXSOM-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001667581165 1174693072 /nfs/dbraw/zinc/69/30/72/1174693072.db2.gz YKJIMSOKQFXSOM-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001667581165 1174693074 /nfs/dbraw/zinc/69/30/74/1174693074.db2.gz YKJIMSOKQFXSOM-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001667581165 1174693077 /nfs/dbraw/zinc/69/30/77/1174693077.db2.gz YKJIMSOKQFXSOM-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000969425827 657862202 /nfs/dbraw/zinc/86/22/02/657862202.db2.gz IQIPXHPCPSAUDS-OAGGEKHMSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001022495560 657997952 /nfs/dbraw/zinc/99/79/52/657997952.db2.gz GHZOJQNCZSYMDG-XHSDSOJGSA-N 2 2 305.422 0.357 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001022495560 657997957 /nfs/dbraw/zinc/99/79/57/657997957.db2.gz GHZOJQNCZSYMDG-XHSDSOJGSA-N 2 2 305.422 0.357 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673245 658223108 /nfs/dbraw/zinc/22/31/08/658223108.db2.gz GECWVAXKQXSTSQ-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972673245 658223114 /nfs/dbraw/zinc/22/31/14/658223114.db2.gz GECWVAXKQXSTSQ-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972673245 658223120 /nfs/dbraw/zinc/22/31/20/658223120.db2.gz GECWVAXKQXSTSQ-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972673245 658223124 /nfs/dbraw/zinc/22/31/24/658223124.db2.gz GECWVAXKQXSTSQ-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969979499 658313379 /nfs/dbraw/zinc/31/33/79/658313379.db2.gz HBCDITNSQBNWFR-UONOGXRCSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992689 658331145 /nfs/dbraw/zinc/33/11/45/658331145.db2.gz OETHTPSMIUFTBI-UONOGXRCSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCOC ZINC001024488494 658655671 /nfs/dbraw/zinc/65/56/71/658655671.db2.gz ZJHZOGSHCBVCON-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCOC ZINC001024488494 658655679 /nfs/dbraw/zinc/65/56/79/658655679.db2.gz ZJHZOGSHCBVCON-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCOC ZINC001024488494 658655681 /nfs/dbraw/zinc/65/56/81/658655681.db2.gz ZJHZOGSHCBVCON-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCOC ZINC001024488494 658655685 /nfs/dbraw/zinc/65/56/85/658655685.db2.gz ZJHZOGSHCBVCON-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027472343 659560091 /nfs/dbraw/zinc/56/00/91/659560091.db2.gz PMKGKQFJAGTLJY-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027472343 659560093 /nfs/dbraw/zinc/56/00/93/659560093.db2.gz PMKGKQFJAGTLJY-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974977203 659747895 /nfs/dbraw/zinc/74/78/95/659747895.db2.gz WRBPKYPOMWJISG-LSDHHAIUSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974977203 659747900 /nfs/dbraw/zinc/74/79/00/659747900.db2.gz WRBPKYPOMWJISG-LSDHHAIUSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999869175 665704722 /nfs/dbraw/zinc/70/47/22/665704722.db2.gz AZJCTJMPXKJCSN-GPANFISMSA-N 2 2 305.422 0.309 20 30 DCEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999872586 665705238 /nfs/dbraw/zinc/70/52/38/665705238.db2.gz VAYGBFTZSDIVAB-UYSNPLJNSA-N 2 2 307.438 0.862 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000999995328 665727211 /nfs/dbraw/zinc/72/72/11/665727211.db2.gz YCSZAJVUQMKPTQ-NVXWUHKLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000999995328 665727213 /nfs/dbraw/zinc/72/72/13/665727213.db2.gz YCSZAJVUQMKPTQ-NVXWUHKLSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000116116 665746582 /nfs/dbraw/zinc/74/65/82/665746582.db2.gz GWCLXMRSQUOFMS-OAHLLOKOSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000116116 665746586 /nfs/dbraw/zinc/74/65/86/665746586.db2.gz GWCLXMRSQUOFMS-OAHLLOKOSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641342 661713612 /nfs/dbraw/zinc/71/36/12/661713612.db2.gz DWUDHPLNYQLXTD-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641342 661713614 /nfs/dbraw/zinc/71/36/14/661713614.db2.gz DWUDHPLNYQLXTD-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000928652551 662392142 /nfs/dbraw/zinc/39/21/42/662392142.db2.gz CEYBFLOOSDXOGX-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000928652551 662392143 /nfs/dbraw/zinc/39/21/43/662392143.db2.gz CEYBFLOOSDXOGX-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799863 662515009 /nfs/dbraw/zinc/51/50/09/662515009.db2.gz OKWYFGFOFURCGI-QGZVFWFLSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799863 662515012 /nfs/dbraw/zinc/51/50/12/662515012.db2.gz OKWYFGFOFURCGI-QGZVFWFLSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030464277 664554450 /nfs/dbraw/zinc/55/44/50/664554450.db2.gz NLYBQAWMFBKSDC-ZBFHGGJFSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030464277 664554451 /nfs/dbraw/zinc/55/44/51/664554451.db2.gz NLYBQAWMFBKSDC-ZBFHGGJFSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031685902 665288439 /nfs/dbraw/zinc/28/84/39/665288439.db2.gz GTBYZMNAWZAWLT-MRXNPFEDSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031685902 665288440 /nfs/dbraw/zinc/28/84/40/665288440.db2.gz GTBYZMNAWZAWLT-MRXNPFEDSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001032837134 666289031 /nfs/dbraw/zinc/28/90/31/666289031.db2.gz IEYDOZTVDGGHCP-OAGGEKHMSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001032837134 666289033 /nfs/dbraw/zinc/28/90/33/666289033.db2.gz IEYDOZTVDGGHCP-OAGGEKHMSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC001032837134 666289035 /nfs/dbraw/zinc/28/90/35/666289035.db2.gz IEYDOZTVDGGHCP-OAGGEKHMSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCOC2)C1 ZINC001032837134 666289037 /nfs/dbraw/zinc/28/90/37/666289037.db2.gz IEYDOZTVDGGHCP-OAGGEKHMSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357298 666690603 /nfs/dbraw/zinc/69/06/03/666690603.db2.gz DKJYOADPHWLJNZ-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357298 666690604 /nfs/dbraw/zinc/69/06/04/666690604.db2.gz DKJYOADPHWLJNZ-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357298 666690605 /nfs/dbraw/zinc/69/06/05/666690605.db2.gz DKJYOADPHWLJNZ-JKSUJKDBSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995983075 666725937 /nfs/dbraw/zinc/72/59/37/666725937.db2.gz WRVJLIYBYRDZAL-KBPBESRZSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997345727 667248948 /nfs/dbraw/zinc/24/89/48/667248948.db2.gz PRNKWUBPJCYWIV-MRXNPFEDSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997347180 667249452 /nfs/dbraw/zinc/24/94/52/667249452.db2.gz XPTXHBPGMQYJAP-INIZCTEOSA-N 2 2 305.422 0.311 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032444218 667269835 /nfs/dbraw/zinc/26/98/35/667269835.db2.gz QBNXBZJEACPSBA-JYJNAYRXSA-N 2 2 317.437 0.675 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032444218 667269838 /nfs/dbraw/zinc/26/98/38/667269838.db2.gz QBNXBZJEACPSBA-JYJNAYRXSA-N 2 2 317.437 0.675 20 30 DCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001035607002 667390645 /nfs/dbraw/zinc/39/06/45/667390645.db2.gz KRHPPWAHSPWWAW-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)C[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001035607002 667390646 /nfs/dbraw/zinc/39/06/46/667390646.db2.gz KRHPPWAHSPWWAW-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035607002 667390647 /nfs/dbraw/zinc/39/06/47/667390647.db2.gz KRHPPWAHSPWWAW-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001035607002 667390648 /nfs/dbraw/zinc/39/06/48/667390648.db2.gz KRHPPWAHSPWWAW-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000884161756 667487464 /nfs/dbraw/zinc/48/74/64/667487464.db2.gz MOKSXAYWVRMOPR-PMPSAXMXSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000884161756 667487466 /nfs/dbraw/zinc/48/74/66/667487466.db2.gz MOKSXAYWVRMOPR-PMPSAXMXSA-N 2 2 322.453 0.492 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239311 667507600 /nfs/dbraw/zinc/50/76/00/667507600.db2.gz RQESFLKUYJVNPU-RDBSUJKOSA-N 2 2 309.410 0.424 20 30 DCEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000886285614 667751638 /nfs/dbraw/zinc/75/16/38/667751638.db2.gz NYTHNEIRMXVBKR-HOTGVXAUSA-N 2 2 307.438 0.962 20 30 DCEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000886285614 667751640 /nfs/dbraw/zinc/75/16/40/667751640.db2.gz NYTHNEIRMXVBKR-HOTGVXAUSA-N 2 2 307.438 0.962 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000890365309 668120962 /nfs/dbraw/zinc/12/09/62/668120962.db2.gz SJXHAWRFGJGQEX-HZPDHXFCSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000890365309 668120966 /nfs/dbraw/zinc/12/09/66/668120966.db2.gz SJXHAWRFGJGQEX-HZPDHXFCSA-N 2 2 322.453 0.446 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000876900433 668531672 /nfs/dbraw/zinc/53/16/72/668531672.db2.gz ZSFIQJWZUNSHSA-NEPJUHHUSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000876900433 668531674 /nfs/dbraw/zinc/53/16/74/668531674.db2.gz ZSFIQJWZUNSHSA-NEPJUHHUSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000877220827 668577872 /nfs/dbraw/zinc/57/78/72/668577872.db2.gz KKNHFGOJKHHZEG-CQSZACIVSA-N 2 2 323.828 0.633 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036866528 670229766 /nfs/dbraw/zinc/22/97/66/670229766.db2.gz GMVCAGYGANRXBR-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036866528 670229770 /nfs/dbraw/zinc/22/97/70/670229770.db2.gz GMVCAGYGANRXBR-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC000949202959 670286699 /nfs/dbraw/zinc/28/66/99/670286699.db2.gz VUFNVCOBBRQFKO-UHFFFAOYSA-N 2 2 304.394 0.832 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852359244 671122148 /nfs/dbraw/zinc/12/21/48/671122148.db2.gz FTGRYUSSHXFZSV-OAHLLOKOSA-N 2 2 308.426 0.058 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852359244 671122150 /nfs/dbraw/zinc/12/21/50/671122150.db2.gz FTGRYUSSHXFZSV-OAHLLOKOSA-N 2 2 308.426 0.058 20 30 DCEDLP C#CC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000829768270 671588727 /nfs/dbraw/zinc/58/87/27/671588727.db2.gz AYDGLPYSKXIAEE-MRXNPFEDSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000829768270 671588729 /nfs/dbraw/zinc/58/87/29/671588729.db2.gz AYDGLPYSKXIAEE-MRXNPFEDSA-N 2 2 321.465 0.949 20 30 DCEDLP CCC(CC)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)[NH+]1CCOCC1 ZINC000834490384 671764656 /nfs/dbraw/zinc/76/46/56/671764656.db2.gz UTWNCMCKAGCZIY-QLFBSQMISA-N 2 2 308.426 0.351 20 30 DCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024809795 693834425 /nfs/dbraw/zinc/83/44/25/693834425.db2.gz XGIGNQVJQQGZIU-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024809795 693834429 /nfs/dbraw/zinc/83/44/29/693834429.db2.gz XGIGNQVJQQGZIU-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809795 693834434 /nfs/dbraw/zinc/83/44/34/693834434.db2.gz XGIGNQVJQQGZIU-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024809795 693834439 /nfs/dbraw/zinc/83/44/39/693834439.db2.gz XGIGNQVJQQGZIU-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958257991 687486345 /nfs/dbraw/zinc/48/63/45/687486345.db2.gz MFNYJFWYMDFDCC-GXTWGEPZSA-N 2 2 300.362 0.543 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000961372664 688603533 /nfs/dbraw/zinc/60/35/33/688603533.db2.gz PAYRPAHNYIBWJJ-TWMKSMIVSA-N 2 2 319.449 0.720 20 30 DCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000961372664 688603536 /nfs/dbraw/zinc/60/35/36/688603536.db2.gz 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319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001039470646 694370749 /nfs/dbraw/zinc/37/07/49/694370749.db2.gz LIUMUBZBRRSWHY-BBWFWOEESA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014492736 692030858 /nfs/dbraw/zinc/03/08/58/692030858.db2.gz IQODTVHSOYUYOB-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001014492736 692030862 /nfs/dbraw/zinc/03/08/62/692030862.db2.gz IQODTVHSOYUYOB-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040493238 694558552 /nfs/dbraw/zinc/55/85/52/694558552.db2.gz ITMWSKUFILDLFC-QGZVFWFLSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001040493238 694558556 /nfs/dbraw/zinc/55/85/56/694558556.db2.gz ITMWSKUFILDLFC-QGZVFWFLSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001018985021 693307681 /nfs/dbraw/zinc/30/76/81/693307681.db2.gz IBVGYHSVONUDIC-GJZGRUSLSA-N 2 2 302.378 0.463 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001018985021 693307686 /nfs/dbraw/zinc/30/76/86/693307686.db2.gz IBVGYHSVONUDIC-GJZGRUSLSA-N 2 2 302.378 0.463 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OCC ZINC001691774443 1157547204 /nfs/dbraw/zinc/54/72/04/1157547204.db2.gz VBKZZVWLTNRQAC-GDBMZVCRSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001671133279 1159077070 /nfs/dbraw/zinc/07/70/70/1159077070.db2.gz MLTWREJQQKQMOL-INIZCTEOSA-N 2 2 307.438 0.673 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566632875 1160102439 /nfs/dbraw/zinc/10/24/39/1160102439.db2.gz JPAFGTOJWVTUPG-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001566632875 1160102441 /nfs/dbraw/zinc/10/24/41/1160102441.db2.gz JPAFGTOJWVTUPG-HNNXBMFYSA-N 2 2 322.453 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ZINC001713800952 1181077414 /nfs/dbraw/zinc/07/74/14/1181077414.db2.gz YMIAYXHKYYIDCX-SOUVJXGZSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001714024933 1181210608 /nfs/dbraw/zinc/21/06/08/1181210608.db2.gz KCVUQKVXTGYJDJ-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001714024933 1181210613 /nfs/dbraw/zinc/21/06/13/1181210613.db2.gz KCVUQKVXTGYJDJ-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001714249908 1181295826 /nfs/dbraw/zinc/29/58/26/1181295826.db2.gz ZSKHWPLNWOWEKP-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001714316828 1181318393 /nfs/dbraw/zinc/31/83/93/1181318393.db2.gz DPDJAUNKBRTUKN-SHTZXODSSA-N 2 2 304.394 0.550 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001714379671 1181343515 /nfs/dbraw/zinc/34/35/15/1181343515.db2.gz ZUGHAHHNYRBWFB-AWEZNQCLSA-N 2 2 306.410 0.901 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001714558638 1181414977 /nfs/dbraw/zinc/41/49/77/1181414977.db2.gz RXIABDXFWVXHNM-HNNXBMFYSA-N 2 2 318.421 0.452 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001714558638 1181414981 /nfs/dbraw/zinc/41/49/81/1181414981.db2.gz RXIABDXFWVXHNM-HNNXBMFYSA-N 2 2 318.421 0.452 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714564249 1181418175 /nfs/dbraw/zinc/41/81/75/1181418175.db2.gz JJAAMEUOWJGQDQ-HNNXBMFYSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714564249 1181418178 /nfs/dbraw/zinc/41/81/78/1181418178.db2.gz JJAAMEUOWJGQDQ-HNNXBMFYSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001714564249 1181418180 /nfs/dbraw/zinc/41/81/80/1181418180.db2.gz JJAAMEUOWJGQDQ-HNNXBMFYSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001714564249 1181418183 /nfs/dbraw/zinc/41/81/83/1181418183.db2.gz JJAAMEUOWJGQDQ-HNNXBMFYSA-N 2 2 324.469 0.600 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714614147 1181442306 /nfs/dbraw/zinc/44/23/06/1181442306.db2.gz SDQAOHKDAMDXJT-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001714614147 1181442311 /nfs/dbraw/zinc/44/23/11/1181442311.db2.gz SDQAOHKDAMDXJT-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714865416 1181576095 /nfs/dbraw/zinc/57/60/95/1181576095.db2.gz KMJHHNAKWHQQPA-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001714865416 1181576102 /nfs/dbraw/zinc/57/61/02/1181576102.db2.gz KMJHHNAKWHQQPA-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714865416 1181576107 /nfs/dbraw/zinc/57/61/07/1181576107.db2.gz KMJHHNAKWHQQPA-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714865416 1181576112 /nfs/dbraw/zinc/57/61/12/1181576112.db2.gz KMJHHNAKWHQQPA-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP C#CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001716296569 1182313464 /nfs/dbraw/zinc/31/34/64/1182313464.db2.gz MQGMFQUISNEYNS-MBVDDHJVSA-N 2 2 301.394 0.685 20 30 DCEDLP C#CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001716296569 1182313470 /nfs/dbraw/zinc/31/34/70/1182313470.db2.gz MQGMFQUISNEYNS-MBVDDHJVSA-N 2 2 301.394 0.685 20 30 DCEDLP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001716337281 1182343151 /nfs/dbraw/zinc/34/31/51/1182343151.db2.gz PDZAENLPDUTUSL-JTGQJZMRSA-N 2 2 319.449 0.915 20 30 DCEDLP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001716337281 1182343154 /nfs/dbraw/zinc/34/31/54/1182343154.db2.gz PDZAENLPDUTUSL-JTGQJZMRSA-N 2 2 319.449 0.915 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001716946880 1182599996 /nfs/dbraw/zinc/59/99/96/1182599996.db2.gz RIKFGXSRUIVCSL-INIZCTEOSA-N 2 2 321.465 0.683 20 30 DCEDLP C=CCCC[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001717323272 1182781069 /nfs/dbraw/zinc/78/10/69/1182781069.db2.gz VMBHAMBKOKOWNE-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001717504230 1182869999 /nfs/dbraw/zinc/86/99/99/1182869999.db2.gz BQSJOGGXNAGSDI-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001717504230 1182870015 /nfs/dbraw/zinc/87/00/15/1182870015.db2.gz BQSJOGGXNAGSDI-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001717507495 1182873661 /nfs/dbraw/zinc/87/36/61/1182873661.db2.gz RKRUZPSFJWHDCK-UHFFFAOYSA-N 2 2 309.454 0.990 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001717618590 1182926955 /nfs/dbraw/zinc/92/69/55/1182926955.db2.gz UNQNLHJPPQBBOM-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001717862039 1183037764 /nfs/dbraw/zinc/03/77/64/1183037764.db2.gz DVYACRRLGRVOTJ-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001717862039 1183037770 /nfs/dbraw/zinc/03/77/70/1183037770.db2.gz DVYACRRLGRVOTJ-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001717862039 1183037773 /nfs/dbraw/zinc/03/77/73/1183037773.db2.gz DVYACRRLGRVOTJ-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001717862039 1183037783 /nfs/dbraw/zinc/03/77/83/1183037783.db2.gz DVYACRRLGRVOTJ-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP CC#CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001717975127 1183094198 /nfs/dbraw/zinc/09/41/98/1183094198.db2.gz AAVNOMYDDNMKLS-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001717975127 1183094207 /nfs/dbraw/zinc/09/42/07/1183094207.db2.gz AAVNOMYDDNMKLS-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723482122 1184315573 /nfs/dbraw/zinc/31/55/73/1184315573.db2.gz BHNXQVTUHGNUIH-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723482122 1184315577 /nfs/dbraw/zinc/31/55/77/1184315577.db2.gz BHNXQVTUHGNUIH-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001724735753 1184539735 /nfs/dbraw/zinc/53/97/35/1184539735.db2.gz CVAQGUZBOYMMEZ-KRWDZBQOSA-N 2 2 315.417 0.698 20 30 DCEDLP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001724735753 1184539741 /nfs/dbraw/zinc/53/97/41/1184539741.db2.gz CVAQGUZBOYMMEZ-KRWDZBQOSA-N 2 2 315.417 0.698 20 30 DCEDLP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001724735753 1184539747 /nfs/dbraw/zinc/53/97/47/1184539747.db2.gz CVAQGUZBOYMMEZ-KRWDZBQOSA-N 2 2 315.417 0.698 20 30 DCEDLP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001724735753 1184539751 /nfs/dbraw/zinc/53/97/51/1184539751.db2.gz CVAQGUZBOYMMEZ-KRWDZBQOSA-N 2 2 315.417 0.698 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001725022847 1184660729 /nfs/dbraw/zinc/66/07/29/1184660729.db2.gz LUALXSFPGIGAAI-AWEZNQCLSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001731598967 1185406210 /nfs/dbraw/zinc/40/62/10/1185406210.db2.gz OGOUXLJWMDXQNC-HIFRSBDPSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001731598967 1185406214 /nfs/dbraw/zinc/40/62/14/1185406214.db2.gz OGOUXLJWMDXQNC-HIFRSBDPSA-N 2 2 304.394 0.675 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001733005268 1186099489 /nfs/dbraw/zinc/09/94/89/1186099489.db2.gz LVRAJNVGYHSNLJ-ZDUSSCGKSA-N 2 2 300.362 0.692 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733223914 1186189198 /nfs/dbraw/zinc/18/91/98/1186189198.db2.gz QKBXUDDBYCBDGR-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733223914 1186189202 /nfs/dbraw/zinc/18/92/02/1186189202.db2.gz QKBXUDDBYCBDGR-KBPBESRZSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001733738042 1186422935 /nfs/dbraw/zinc/42/29/35/1186422935.db2.gz PAZHLOVPTGLGFM-DZGCQCFKSA-N 2 2 304.394 0.449 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001734183869 1186572231 /nfs/dbraw/zinc/57/22/31/1186572231.db2.gz MDXHIOGQKYLKRH-ZFWWWQNUSA-N 2 2 312.373 0.787 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001753658750 1188636076 /nfs/dbraw/zinc/63/60/76/1188636076.db2.gz WNHQUSAXZUASHX-OAHLLOKOSA-N 2 2 311.426 0.102 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001753658750 1188636080 /nfs/dbraw/zinc/63/60/80/1188636080.db2.gz WNHQUSAXZUASHX-OAHLLOKOSA-N 2 2 311.426 0.102 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001753727745 1188647745 /nfs/dbraw/zinc/64/77/45/1188647745.db2.gz HZJFWBUXNCSHQO-KBPBESRZSA-N 2 2 319.409 0.107 20 30 DCEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001753775913 1188654682 /nfs/dbraw/zinc/65/46/82/1188654682.db2.gz WURUVPLOWSTLOK-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001753775913 1188654683 /nfs/dbraw/zinc/65/46/83/1188654683.db2.gz WURUVPLOWSTLOK-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001754161617 1188764697 /nfs/dbraw/zinc/76/46/97/1188764697.db2.gz HAWIHBHFSJGWRV-JTGQJZMRSA-N 2 2 319.449 0.915 20 30 DCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001754161617 1188764699 /nfs/dbraw/zinc/76/46/99/1188764699.db2.gz HAWIHBHFSJGWRV-JTGQJZMRSA-N 2 2 319.449 0.915 20 30 DCEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001754444981 1188854752 /nfs/dbraw/zinc/85/47/52/1188854752.db2.gz MRMSWIANTDWQRN-HUUCEWRRSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001754753292 1188921733 /nfs/dbraw/zinc/92/17/33/1188921733.db2.gz CRCASGIZEGNTEC-KRWDZBQOSA-N 2 2 318.421 0.503 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001754753292 1188921734 /nfs/dbraw/zinc/92/17/34/1188921734.db2.gz CRCASGIZEGNTEC-KRWDZBQOSA-N 2 2 318.421 0.503 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001755086760 1189017632 /nfs/dbraw/zinc/01/76/32/1189017632.db2.gz WXIUMALIHPOLRA-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001755113152 1189026633 /nfs/dbraw/zinc/02/66/33/1189026633.db2.gz DZFPOTUYGFDZMC-KGLIPLIRSA-N 2 2 319.409 0.012 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310652 751570195 /nfs/dbraw/zinc/57/01/95/751570195.db2.gz VUWKHIIIYBIEPF-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042310652 751570201 /nfs/dbraw/zinc/57/02/01/751570201.db2.gz VUWKHIIIYBIEPF-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780518 751735804 /nfs/dbraw/zinc/73/58/04/751735804.db2.gz AYNBEHLPFKNSJS-YUELXQCFSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](O)C1 ZINC001083780518 751735807 /nfs/dbraw/zinc/73/58/07/751735807.db2.gz AYNBEHLPFKNSJS-YUELXQCFSA-N 2 2 304.394 0.101 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582627 751839629 /nfs/dbraw/zinc/83/96/29/751839629.db2.gz NDAQTBXLJXDLMS-ZIAGYGMSSA-N 2 2 307.394 0.692 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582627 751839637 /nfs/dbraw/zinc/83/96/37/751839637.db2.gz NDAQTBXLJXDLMS-ZIAGYGMSSA-N 2 2 307.394 0.692 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC[N@@H+](C)CC)nn2)C1 ZINC001107226380 751958811 /nfs/dbraw/zinc/95/88/11/751958811.db2.gz SIZGXKXIDOVPTL-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC[N@H+](C)CC)nn2)C1 ZINC001107226380 751958817 /nfs/dbraw/zinc/95/88/17/751958817.db2.gz SIZGXKXIDOVPTL-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772394 752047756 /nfs/dbraw/zinc/04/77/56/752047756.db2.gz HGHIKVLEHLDGND-OAHLLOKOSA-N 2 2 321.425 0.698 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772394 752047765 /nfs/dbraw/zinc/04/77/65/752047765.db2.gz HGHIKVLEHLDGND-OAHLLOKOSA-N 2 2 321.425 0.698 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+](CC)CC)C2)nn1 ZINC001105344268 748323413 /nfs/dbraw/zinc/32/34/13/748323413.db2.gz WEUWRZRUMLZQHX-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021422 749195177 /nfs/dbraw/zinc/19/51/77/749195177.db2.gz LBCALUWLOLIKIP-KGLIPLIRSA-N 2 2 316.405 0.763 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]2C1 ZINC001088021422 749195183 /nfs/dbraw/zinc/19/51/83/749195183.db2.gz LBCALUWLOLIKIP-KGLIPLIRSA-N 2 2 316.405 0.763 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522510 750092584 /nfs/dbraw/zinc/09/25/84/750092584.db2.gz KFBNGJBNENDCSH-MCIONIFRSA-N 2 2 304.394 0.498 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](O)C1 ZINC001083522510 750092589 /nfs/dbraw/zinc/09/25/89/750092589.db2.gz KFBNGJBNENDCSH-MCIONIFRSA-N 2 2 304.394 0.498 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260280 750301735 /nfs/dbraw/zinc/30/17/35/750301735.db2.gz ADSBTEPCUVLNOV-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260280 750301742 /nfs/dbraw/zinc/30/17/42/750301742.db2.gz ADSBTEPCUVLNOV-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077691010 752335562 /nfs/dbraw/zinc/33/55/62/752335562.db2.gz JCXWPQGQPGAMQZ-RGCMKSIDSA-N 2 2 304.394 0.261 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077691010 752335571 /nfs/dbraw/zinc/33/55/71/752335571.db2.gz JCXWPQGQPGAMQZ-RGCMKSIDSA-N 2 2 304.394 0.261 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998710 752868063 /nfs/dbraw/zinc/86/80/63/752868063.db2.gz PUCJJYUJNBECKM-DOTOQJQBSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998710 752868068 /nfs/dbraw/zinc/86/80/68/752868068.db2.gz PUCJJYUJNBECKM-DOTOQJQBSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108010259 752910958 /nfs/dbraw/zinc/91/09/58/752910958.db2.gz QUHYFWWLFXYAKL-RDJZCZTQSA-N 2 2 309.454 0.803 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108010259 752910959 /nfs/dbraw/zinc/91/09/59/752910959.db2.gz QUHYFWWLFXYAKL-RDJZCZTQSA-N 2 2 309.454 0.803 20 30 DCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024720 752948427 /nfs/dbraw/zinc/94/84/27/752948427.db2.gz OJRCHJLNVKUDTR-FMKPAKJESA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024720 752948433 /nfs/dbraw/zinc/94/84/33/752948433.db2.gz OJRCHJLNVKUDTR-FMKPAKJESA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024720 752948438 /nfs/dbraw/zinc/94/84/38/752948438.db2.gz OJRCHJLNVKUDTR-FMKPAKJESA-N 2 2 311.426 0.099 20 30 DCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024720 752948444 /nfs/dbraw/zinc/94/84/44/752948444.db2.gz OJRCHJLNVKUDTR-FMKPAKJESA-N 2 2 311.426 0.099 20 30 DCEDLP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001108024741 752948915 /nfs/dbraw/zinc/94/89/15/752948915.db2.gz ORCJGCPTNIVZET-NVXWUHKLSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108024741 752948919 /nfs/dbraw/zinc/94/89/19/752948919.db2.gz ORCJGCPTNIVZET-NVXWUHKLSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024741 752948924 /nfs/dbraw/zinc/94/89/24/752948924.db2.gz ORCJGCPTNIVZET-NVXWUHKLSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024741 752948930 /nfs/dbraw/zinc/94/89/30/752948930.db2.gz ORCJGCPTNIVZET-NVXWUHKLSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230519 753124666 /nfs/dbraw/zinc/12/46/66/753124666.db2.gz FVLLJGCBMXCZNJ-HZPDHXFCSA-N 2 2 301.390 0.156 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078230519 753124671 /nfs/dbraw/zinc/12/46/71/753124671.db2.gz FVLLJGCBMXCZNJ-HZPDHXFCSA-N 2 2 301.390 0.156 20 30 DCEDLP C[NH+](C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1)C1CC1 ZINC001046035588 753439354 /nfs/dbraw/zinc/43/93/54/753439354.db2.gz QCKQBKUJZJBTDJ-CVEARBPZSA-N 2 2 319.453 0.069 20 30 DCEDLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046077479 753469095 /nfs/dbraw/zinc/46/90/95/753469095.db2.gz XADVDDVDBCKNQY-JKSUJKDBSA-N 2 2 319.453 0.070 20 30 DCEDLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046077479 753469097 /nfs/dbraw/zinc/46/90/97/753469097.db2.gz XADVDDVDBCKNQY-JKSUJKDBSA-N 2 2 319.453 0.070 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501886 754339003 /nfs/dbraw/zinc/33/90/03/754339003.db2.gz HNZCIVFBMJQKNG-KBMXLJTQSA-N 2 2 318.421 0.443 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001047501886 754339007 /nfs/dbraw/zinc/33/90/07/754339007.db2.gz HNZCIVFBMJQKNG-KBMXLJTQSA-N 2 2 318.421 0.443 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911659 755011455 /nfs/dbraw/zinc/01/14/55/755011455.db2.gz NQKAUVLXIOXWMM-BETUJISGSA-N 2 2 304.394 0.926 20 30 DCEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911659 755011460 /nfs/dbraw/zinc/01/14/60/755011460.db2.gz NQKAUVLXIOXWMM-BETUJISGSA-N 2 2 304.394 0.926 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCOC ZINC001049530768 755302315 /nfs/dbraw/zinc/30/23/15/755302315.db2.gz ZXIURBFRSVSXGI-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCOC ZINC001049530768 755302316 /nfs/dbraw/zinc/30/23/16/755302316.db2.gz ZXIURBFRSVSXGI-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCOC ZINC001049530768 755302323 /nfs/dbraw/zinc/30/23/23/755302323.db2.gz ZXIURBFRSVSXGI-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCOC ZINC001049530768 755302329 /nfs/dbraw/zinc/30/23/29/755302329.db2.gz ZXIURBFRSVSXGI-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CCO2 ZINC001053254979 755976273 /nfs/dbraw/zinc/97/62/73/755976273.db2.gz YAIDRQJGHWZXRL-MRXNPFEDSA-N 2 2 319.449 0.818 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)O2 ZINC001053600646 756115736 /nfs/dbraw/zinc/11/57/36/756115736.db2.gz OEKDYPBXJFCWCB-CVEARBPZSA-N 2 2 319.449 0.864 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053926556 756282568 /nfs/dbraw/zinc/28/25/68/756282568.db2.gz IBMUVXZADJZATL-CABCVRRESA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053926556 756282569 /nfs/dbraw/zinc/28/25/69/756282569.db2.gz 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DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CCC)CC1 ZINC001051255542 758549295 /nfs/dbraw/zinc/54/92/95/758549295.db2.gz RMQWGHFJLQNJCX-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CCC)CC1 ZINC001051255542 758549299 /nfs/dbraw/zinc/54/92/99/758549299.db2.gz RMQWGHFJLQNJCX-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036180 759131538 /nfs/dbraw/zinc/13/15/38/759131538.db2.gz HDLVFJONAHKWJO-IRXDYDNUSA-N 2 2 320.481 0.731 20 30 DCEDLP C=C(Br)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204480 760602092 /nfs/dbraw/zinc/60/20/92/760602092.db2.gz LLCOBKXCKOGYRK-UHFFFAOYSA-N 2 2 301.188 0.957 20 30 DCEDLP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001108799074 761053799 /nfs/dbraw/zinc/05/37/99/761053799.db2.gz LNOZOTFKUCWNOZ-ZNMIVQPWSA-N 2 2 300.406 0.955 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCOC ZINC001109414735 761405898 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0.653 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317769294 945179134 /nfs/dbraw/zinc/17/91/34/945179134.db2.gz AKVGKJIVEBXNTC-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317769294 945179139 /nfs/dbraw/zinc/17/91/39/945179139.db2.gz AKVGKJIVEBXNTC-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317769294 945179145 /nfs/dbraw/zinc/17/91/45/945179145.db2.gz AKVGKJIVEBXNTC-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001267090601 939337503 /nfs/dbraw/zinc/33/75/03/939337503.db2.gz JTJYFGJODBLRQC-HUUCEWRRSA-N 2 2 318.421 0.629 20 30 DCEDLP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001268248300 940004653 /nfs/dbraw/zinc/00/46/53/940004653.db2.gz WZEIRCCSIOYQBT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001268248300 940004658 /nfs/dbraw/zinc/00/46/58/940004658.db2.gz WZEIRCCSIOYQBT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+](C)CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001268248300 940004661 /nfs/dbraw/zinc/00/46/61/940004661.db2.gz WZEIRCCSIOYQBT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+](C)CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001268248300 940004666 /nfs/dbraw/zinc/00/46/66/940004666.db2.gz WZEIRCCSIOYQBT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001268286263 940019804 /nfs/dbraw/zinc/01/98/04/940019804.db2.gz CHZWQJJXICHWDW-GOEBONIOSA-N 2 2 318.421 0.487 20 30 DCEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269085622 940613210 /nfs/dbraw/zinc/61/32/10/940613210.db2.gz WLAXGOXAHAJPDZ-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482375235 941028667 /nfs/dbraw/zinc/02/86/67/941028667.db2.gz QEUGLPJEHZCUQG-STQMWFEESA-N 2 2 307.398 0.010 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668696 942448324 /nfs/dbraw/zinc/44/83/24/942448324.db2.gz BRXDWHVTPIWSFV-OWCLPIDISA-N 2 2 305.422 0.045 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](O)C1 ZINC001083668696 942448325 /nfs/dbraw/zinc/44/83/25/942448325.db2.gz BRXDWHVTPIWSFV-OWCLPIDISA-N 2 2 305.422 0.045 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272414711 942742912 /nfs/dbraw/zinc/74/29/12/942742912.db2.gz RUCZZOLUKPPVMB-AWEZNQCLSA-N 2 2 302.378 0.899 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC=C)CC1 ZINC001483982417 943068974 /nfs/dbraw/zinc/06/89/74/943068974.db2.gz UCEDWWXGNNNBIU-QGZVFWFLSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC=C)CC1 ZINC001483982417 943068981 /nfs/dbraw/zinc/06/89/81/943068981.db2.gz UCEDWWXGNNNBIU-QGZVFWFLSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484099375 943148259 /nfs/dbraw/zinc/14/82/59/943148259.db2.gz GTEAWLHECVELDD-RHSMWYFYSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001484449477 943394381 /nfs/dbraw/zinc/39/43/81/943394381.db2.gz FPDKIYBNNMAIEN-QGZVFWFLSA-N 2 2 318.421 0.630 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001484449477 943394387 /nfs/dbraw/zinc/39/43/87/943394387.db2.gz FPDKIYBNNMAIEN-QGZVFWFLSA-N 2 2 318.421 0.630 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001276431775 944168147 /nfs/dbraw/zinc/16/81/47/944168147.db2.gz HDMJQEBZYIYSSD-JSGCOSHPSA-N 2 2 310.442 0.065 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593720 944227276 /nfs/dbraw/zinc/22/72/76/944227276.db2.gz OUMBXEPETBQZLK-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593720 944227285 /nfs/dbraw/zinc/22/72/85/944227285.db2.gz OUMBXEPETBQZLK-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593720 944227290 /nfs/dbraw/zinc/22/72/90/944227290.db2.gz OUMBXEPETBQZLK-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001276593720 944227295 /nfs/dbraw/zinc/22/72/95/944227295.db2.gz OUMBXEPETBQZLK-HOTGVXAUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977457 944268105 /nfs/dbraw/zinc/26/81/05/944268105.db2.gz FZZXNOWLPKWULO-IAGOWNOFSA-N 2 2 315.417 0.567 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977457 944268110 /nfs/dbraw/zinc/26/81/10/944268110.db2.gz FZZXNOWLPKWULO-IAGOWNOFSA-N 2 2 315.417 0.567 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977457 944268115 /nfs/dbraw/zinc/26/81/15/944268115.db2.gz FZZXNOWLPKWULO-IAGOWNOFSA-N 2 2 315.417 0.567 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](OC)C1 ZINC001213977457 944268121 /nfs/dbraw/zinc/26/81/21/944268121.db2.gz FZZXNOWLPKWULO-IAGOWNOFSA-N 2 2 315.417 0.567 20 30 DCEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317018518 944742059 /nfs/dbraw/zinc/74/20/59/944742059.db2.gz JSSQDXOXSSFWJR-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001486340755 944803124 /nfs/dbraw/zinc/80/31/24/944803124.db2.gz JPNKYCOTBDSKPN-OAHLLOKOSA-N 2 2 320.437 0.701 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001486340755 944803128 /nfs/dbraw/zinc/80/31/28/944803128.db2.gz JPNKYCOTBDSKPN-OAHLLOKOSA-N 2 2 320.437 0.701 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001486341879 944823020 /nfs/dbraw/zinc/82/30/20/944823020.db2.gz YXYDHEWGCPPKKM-HIFRSBDPSA-N 2 2 306.410 0.383 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001486341879 944823025 /nfs/dbraw/zinc/82/30/25/944823025.db2.gz YXYDHEWGCPPKKM-HIFRSBDPSA-N 2 2 306.410 0.383 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317150675 944825748 /nfs/dbraw/zinc/82/57/48/944825748.db2.gz DSVREZUOXCPFLG-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317150678 944825883 /nfs/dbraw/zinc/82/58/83/944825883.db2.gz DSVREZUOXCPFLG-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001486479392 944915968 /nfs/dbraw/zinc/91/59/68/944915968.db2.gz LSLUAZBNBJAZSA-HIFPTAJRSA-N 2 2 319.409 0.222 20 30 DCEDLP COCC#CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001317555599 945046328 /nfs/dbraw/zinc/04/63/28/945046328.db2.gz YWHWBKODTKJYQR-UHFFFAOYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001317555599 945046341 /nfs/dbraw/zinc/04/63/41/945046341.db2.gz YWHWBKODTKJYQR-UHFFFAOYSA-N 2 2 304.394 0.504 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001320084731 945735500 /nfs/dbraw/zinc/73/55/00/945735500.db2.gz KJYKNLQTPRVZCM-ZDUSSCGKSA-N 2 2 321.425 0.272 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001320084731 945735504 /nfs/dbraw/zinc/73/55/04/945735504.db2.gz KJYKNLQTPRVZCM-ZDUSSCGKSA-N 2 2 321.425 0.272 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC[NH+](C)C)CO2 ZINC001280962018 945751702 /nfs/dbraw/zinc/75/17/02/945751702.db2.gz MVDFMSHPYITAEC-OAHLLOKOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001251851299 945797286 /nfs/dbraw/zinc/79/72/86/945797286.db2.gz IJTSGZPNFWDXCZ-IRXDYDNUSA-N 2 2 310.438 0.572 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001251851299 945797302 /nfs/dbraw/zinc/79/73/02/945797302.db2.gz IJTSGZPNFWDXCZ-IRXDYDNUSA-N 2 2 310.438 0.572 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001278693918 946053895 /nfs/dbraw/zinc/05/38/95/946053895.db2.gz SWVFPYYSUKXAPF-KRWDZBQOSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001278693918 946053908 /nfs/dbraw/zinc/05/39/08/946053908.db2.gz SWVFPYYSUKXAPF-KRWDZBQOSA-N 2 2 318.421 0.751 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001278787651 946397964 /nfs/dbraw/zinc/39/79/64/946397964.db2.gz UATFRJLGXMAVRU-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001278787651 946397974 /nfs/dbraw/zinc/39/79/74/946397974.db2.gz UATFRJLGXMAVRU-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001273384045 946955020 /nfs/dbraw/zinc/95/50/20/946955020.db2.gz LIBTUVOWTWTWHR-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001273384045 946955028 /nfs/dbraw/zinc/95/50/28/946955028.db2.gz LIBTUVOWTWTWHR-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457240 947298922 /nfs/dbraw/zinc/29/89/22/947298922.db2.gz BWDJYSFAEBLQRB-DZGCQCFKSA-N 3 2 307.442 0.292 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)CC1 ZINC001261457240 947298928 /nfs/dbraw/zinc/29/89/28/947298928.db2.gz BWDJYSFAEBLQRB-DZGCQCFKSA-N 3 2 307.442 0.292 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1csnn1 ZINC001273427859 947350760 /nfs/dbraw/zinc/35/07/60/947350760.db2.gz MPYIAEPODZEHQS-AWEZNQCLSA-N 2 2 321.450 0.574 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1csnn1 ZINC001273427859 947350770 /nfs/dbraw/zinc/35/07/70/947350770.db2.gz MPYIAEPODZEHQS-AWEZNQCLSA-N 2 2 321.450 0.574 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325860721 947957331 /nfs/dbraw/zinc/95/73/31/947957331.db2.gz PSWCZSJAZBEJBX-RDJZCZTQSA-N 2 2 318.421 0.801 20 30 DCEDLP CC#CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325860721 947957337 /nfs/dbraw/zinc/95/73/37/947957337.db2.gz PSWCZSJAZBEJBX-RDJZCZTQSA-N 2 2 318.421 0.801 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OCC ZINC001264537706 948997994 /nfs/dbraw/zinc/99/79/94/948997994.db2.gz UYXROUBPDAPZAD-GDBMZVCRSA-N 2 2 320.437 0.992 20 30 DCEDLP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001489076133 949466234 /nfs/dbraw/zinc/46/62/34/949466234.db2.gz GXXQTMSZTYUDFZ-CYBMUJFWSA-N 2 2 317.393 0.006 20 30 DCEDLP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001489076133 949466249 /nfs/dbraw/zinc/46/62/49/949466249.db2.gz GXXQTMSZTYUDFZ-CYBMUJFWSA-N 2 2 317.393 0.006 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475649 949623242 /nfs/dbraw/zinc/62/32/42/949623242.db2.gz WHCITBBBZAOBFS-CYBMUJFWSA-N 2 2 322.409 0.436 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475649 949623251 /nfs/dbraw/zinc/62/32/51/949623251.db2.gz WHCITBBBZAOBFS-CYBMUJFWSA-N 2 2 322.409 0.436 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265436390 949682206 /nfs/dbraw/zinc/68/22/06/949682206.db2.gz DPHFLVQUNWZDRQ-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001329625950 949724976 /nfs/dbraw/zinc/72/49/76/949724976.db2.gz ZLFGRSULPKMMMR-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001329625950 949724988 /nfs/dbraw/zinc/72/49/88/949724988.db2.gz ZLFGRSULPKMMMR-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001329625950 949724998 /nfs/dbraw/zinc/72/49/98/949724998.db2.gz ZLFGRSULPKMMMR-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001280660361 951022646 /nfs/dbraw/zinc/02/26/46/951022646.db2.gz WSNKVWXNPFNVAP-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001316604929 951022965 /nfs/dbraw/zinc/02/29/65/951022965.db2.gz MWDJOUYEOQQSGS-HOTGVXAUSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001316604929 951022978 /nfs/dbraw/zinc/02/29/78/951022978.db2.gz MWDJOUYEOQQSGS-HOTGVXAUSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316604929 951022994 /nfs/dbraw/zinc/02/29/94/951022994.db2.gz MWDJOUYEOQQSGS-HOTGVXAUSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001332308273 951580728 /nfs/dbraw/zinc/58/07/28/951580728.db2.gz HENWQUVESRJLDA-KBPBESRZSA-N 2 2 304.394 0.477 20 30 DCEDLP C=C[C@](C)(O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274617242 951743924 /nfs/dbraw/zinc/74/39/24/951743924.db2.gz WGXNXPVPKUMHML-IRXDYDNUSA-N 2 2 318.421 0.782 20 30 DCEDLP C=C[C@](C)(O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274617242 951743928 /nfs/dbraw/zinc/74/39/28/951743928.db2.gz WGXNXPVPKUMHML-IRXDYDNUSA-N 2 2 318.421 0.782 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cncc(C#N)c3)C[C@H]21 ZINC001275027495 951932949 /nfs/dbraw/zinc/93/29/49/951932949.db2.gz LREBRPASPAEYQO-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cncc(C#N)c3)C[C@H]21 ZINC001275027495 951932952 /nfs/dbraw/zinc/93/29/52/951932952.db2.gz LREBRPASPAEYQO-SJORKVTESA-N 2 2 315.421 0.400 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001503736582 1016172994 /nfs/dbraw/zinc/17/29/94/1016172994.db2.gz XUAMYYSDAXIJII-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001503736582 1016173000 /nfs/dbraw/zinc/17/30/00/1016173000.db2.gz XUAMYYSDAXIJII-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001503736582 1016173005 /nfs/dbraw/zinc/17/30/05/1016173005.db2.gz XUAMYYSDAXIJII-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001503736582 1016173009 /nfs/dbraw/zinc/17/30/09/1016173009.db2.gz XUAMYYSDAXIJII-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CCN1CC[NH+](CCCCCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001503745224 1016173894 /nfs/dbraw/zinc/17/38/94/1016173894.db2.gz VXAMJACLVIUCQF-UHFFFAOYSA-N 2 2 317.437 0.490 20 30 DCEDLP N#CCN1CC[NH+](CCCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001503743856 1016174365 /nfs/dbraw/zinc/17/43/65/1016174365.db2.gz JQVXRPCAOLCUQR-UHFFFAOYSA-N 2 2 318.425 0.311 20 30 DCEDLP N#Cc1cccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001401582357 1000517729 /nfs/dbraw/zinc/51/77/29/1000517729.db2.gz YGTTWGWLEUBBQX-CQSZACIVSA-N 2 2 313.361 0.091 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001439011554 1006356362 /nfs/dbraw/zinc/35/63/62/1006356362.db2.gz FPJNFAIVUUGQLP-LLVKDONJSA-N 2 2 300.790 0.172 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001437563573 1007129871 /nfs/dbraw/zinc/12/98/71/1007129871.db2.gz PNHDPXJGGBYKOE-LBPRGKRZSA-N 2 2 303.834 0.755 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001437563573 1007129878 /nfs/dbraw/zinc/12/98/78/1007129878.db2.gz PNHDPXJGGBYKOE-LBPRGKRZSA-N 2 2 303.834 0.755 20 30 DCEDLP C#CCO[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001442644490 1009567688 /nfs/dbraw/zinc/56/76/88/1009567688.db2.gz ZGFGAXRCYMXQFE-AWEZNQCLSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001506859430 1017622966 /nfs/dbraw/zinc/62/29/66/1017622966.db2.gz WIHYRLKYKDOGFE-HOTGVXAUSA-N 2 2 318.421 0.892 20 30 DCEDLP C#CCC[NH+]1CCN(CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001479923453 1017979202 /nfs/dbraw/zinc/97/92/02/1017979202.db2.gz YYKJQZHLZIQWDQ-UHFFFAOYSA-N 2 2 317.437 0.339 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001479923453 1017979213 /nfs/dbraw/zinc/97/92/13/1017979213.db2.gz YYKJQZHLZIQWDQ-UHFFFAOYSA-N 2 2 317.437 0.339 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOCC=C)C1 ZINC001479955175 1018042271 /nfs/dbraw/zinc/04/22/71/1018042271.db2.gz MRAUOPOVJRKAGR-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOCC=C)C1 ZINC001479955175 1018042278 /nfs/dbraw/zinc/04/22/78/1018042278.db2.gz MRAUOPOVJRKAGR-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC=C)C1 ZINC001479955175 1018042290 /nfs/dbraw/zinc/04/22/90/1018042290.db2.gz MRAUOPOVJRKAGR-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOCC=C)C1 ZINC001479955175 1018042300 /nfs/dbraw/zinc/04/23/00/1018042300.db2.gz MRAUOPOVJRKAGR-CVEARBPZSA-N 2 2 305.422 0.477 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001480118301 1018218187 /nfs/dbraw/zinc/21/81/87/1018218187.db2.gz POYSXLSVEUJODE-KBPBESRZSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001480118301 1018218200 /nfs/dbraw/zinc/21/82/00/1018218200.db2.gz POYSXLSVEUJODE-KBPBESRZSA-N 2 2 306.410 0.981 20 30 DCEDLP CC[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CC#CCOC ZINC001495011197 1018235987 /nfs/dbraw/zinc/23/59/87/1018235987.db2.gz KQLREZMGIFHFLX-CYBMUJFWSA-N 2 2 322.409 0.484 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500693045 1018582395 /nfs/dbraw/zinc/58/23/95/1018582395.db2.gz QLBWBNZDHAOKGB-INIZCTEOSA-N 2 2 322.409 0.479 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500693045 1018582408 /nfs/dbraw/zinc/58/24/08/1018582408.db2.gz QLBWBNZDHAOKGB-INIZCTEOSA-N 2 2 322.409 0.479 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001502062490 1019674784 /nfs/dbraw/zinc/67/47/84/1019674784.db2.gz PIIUPHLAEQVBRL-ZBFHGGJFSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC001502078747 1019690223 /nfs/dbraw/zinc/69/02/23/1019690223.db2.gz DKNNZOUPKXMLOV-GJZGRUSLSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)CC1 ZINC000491072538 241107508 /nfs/dbraw/zinc/10/75/08/241107508.db2.gz SPGCROUOLFITKL-QGZVFWFLSA-N 2 2 321.465 0.541 20 30 DCEDLP N#CCc1ccc(OC[C@@H](O)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000580828910 396502480 /nfs/dbraw/zinc/50/24/80/396502480.db2.gz QNVUPMDLKHGFHZ-HNNXBMFYSA-N 2 2 300.362 0.979 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104178657 415624191 /nfs/dbraw/zinc/62/41/91/415624191.db2.gz OOEVZSZUYFDHNN-GXTWGEPZSA-N 2 2 316.471 0.134 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OCC(C)C)C2)CC1 ZINC000119657981 415750994 /nfs/dbraw/zinc/75/09/94/415750994.db2.gz TYNQRZYIABJCFB-INIZCTEOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OCC(C)C)C2)CC1 ZINC000119657981 415750996 /nfs/dbraw/zinc/75/09/96/415750996.db2.gz TYNQRZYIABJCFB-INIZCTEOSA-N 2 2 307.438 0.511 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329755816 416189233 /nfs/dbraw/zinc/18/92/33/416189233.db2.gz YINFWCWQYSBYOT-RYUDHWBXSA-N 2 2 307.398 0.179 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329755816 416189238 /nfs/dbraw/zinc/18/92/38/416189238.db2.gz YINFWCWQYSBYOT-RYUDHWBXSA-N 2 2 307.398 0.179 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000265236600 416341219 /nfs/dbraw/zinc/34/12/19/416341219.db2.gz QIHAJHDVTHUSGE-UHFFFAOYSA-N 2 2 312.377 0.219 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000265236600 416341220 /nfs/dbraw/zinc/34/12/20/416341220.db2.gz QIHAJHDVTHUSGE-UHFFFAOYSA-N 2 2 312.377 0.219 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000491634571 416608608 /nfs/dbraw/zinc/60/86/08/416608608.db2.gz UBLQKMAZJHADII-AWEZNQCLSA-N 2 2 301.390 0.820 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000491166855 416589635 /nfs/dbraw/zinc/58/96/35/416589635.db2.gz UVTYVOBSOUEXMZ-UHFFFAOYSA-N 2 2 313.361 0.344 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000491728746 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ZINC000884344387 667528688 /nfs/dbraw/zinc/52/86/88/667528688.db2.gz FDNNTZZYKMCILH-DZGCQCFKSA-N 2 2 323.437 0.670 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884401463 667538297 /nfs/dbraw/zinc/53/82/97/667538297.db2.gz QPVRAFZQATUKCY-CKDBGZEDSA-N 3 2 321.469 0.125 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884401463 667538300 /nfs/dbraw/zinc/53/83/00/667538300.db2.gz QPVRAFZQATUKCY-CKDBGZEDSA-N 3 2 321.469 0.125 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000748818602 667939315 /nfs/dbraw/zinc/93/93/15/667939315.db2.gz ZIZALPMKYYVMMA-INIZCTEOSA-N 2 2 315.421 0.297 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000748818602 667939317 /nfs/dbraw/zinc/93/93/17/667939317.db2.gz ZIZALPMKYYVMMA-INIZCTEOSA-N 2 2 315.421 0.297 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000925614668 668336162 /nfs/dbraw/zinc/33/61/62/668336162.db2.gz ZTCDNBWPVNLGFB-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000932394926 669358912 /nfs/dbraw/zinc/35/89/12/669358912.db2.gz ULLPDWDHOYKDAN-MRXNPFEDSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000932394926 669358917 /nfs/dbraw/zinc/35/89/17/669358917.db2.gz ULLPDWDHOYKDAN-MRXNPFEDSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000932394926 669358922 /nfs/dbraw/zinc/35/89/22/669358922.db2.gz ULLPDWDHOYKDAN-MRXNPFEDSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000932394926 669358926 /nfs/dbraw/zinc/35/89/26/669358926.db2.gz ULLPDWDHOYKDAN-MRXNPFEDSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000884009880 669810664 /nfs/dbraw/zinc/81/06/64/669810664.db2.gz KTYMPDYSVMXOOS-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000884009880 669810669 /nfs/dbraw/zinc/81/06/69/669810669.db2.gz KTYMPDYSVMXOOS-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000794832039 669866095 /nfs/dbraw/zinc/86/60/95/669866095.db2.gz JHKCUEBXUOCXOB-JKSUJKDBSA-N 2 2 316.405 0.863 20 30 DCEDLP N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)nc1 ZINC000794832039 669866099 /nfs/dbraw/zinc/86/60/99/669866099.db2.gz JHKCUEBXUOCXOB-JKSUJKDBSA-N 2 2 316.405 0.863 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539221 694110594 /nfs/dbraw/zinc/11/05/94/694110594.db2.gz ZWSFOABNJREFBX-GWUWNPHMSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539221 694110599 /nfs/dbraw/zinc/11/05/99/694110599.db2.gz ZWSFOABNJREFBX-GWUWNPHMSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539221 694110602 /nfs/dbraw/zinc/11/06/02/694110602.db2.gz ZWSFOABNJREFBX-GWUWNPHMSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539221 694110605 /nfs/dbraw/zinc/11/06/05/694110605.db2.gz ZWSFOABNJREFBX-GWUWNPHMSA-N 2 2 303.406 0.063 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073749043 694776836 /nfs/dbraw/zinc/77/68/36/694776836.db2.gz OFUHYRUDXZERFF-OAHLLOKOSA-N 2 2 319.405 0.795 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073749043 694776837 /nfs/dbraw/zinc/77/68/37/694776837.db2.gz OFUHYRUDXZERFF-OAHLLOKOSA-N 2 2 319.405 0.795 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074327734 694868849 /nfs/dbraw/zinc/86/88/49/694868849.db2.gz YUHCSOAMDBZOMQ-IRXDYDNUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074327734 694868852 /nfs/dbraw/zinc/86/88/52/694868852.db2.gz YUHCSOAMDBZOMQ-IRXDYDNUSA-N 2 2 319.449 0.653 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074385779 694883375 /nfs/dbraw/zinc/88/33/75/694883375.db2.gz WZDIUELQZJSQFA-HZPDHXFCSA-N 2 2 319.449 0.960 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074385779 694883379 /nfs/dbraw/zinc/88/33/79/694883379.db2.gz WZDIUELQZJSQFA-HZPDHXFCSA-N 2 2 319.449 0.960 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001571640657 1162870837 /nfs/dbraw/zinc/87/08/37/1162870837.db2.gz BUYXLFREOPJIQG-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001571640657 1162870841 /nfs/dbraw/zinc/87/08/41/1162870841.db2.gz BUYXLFREOPJIQG-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001753870107 1158079837 /nfs/dbraw/zinc/07/98/37/1158079837.db2.gz QCUYGKFPQSBXBV-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001753870107 1158079839 /nfs/dbraw/zinc/07/98/39/1158079839.db2.gz QCUYGKFPQSBXBV-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001753870107 1158079843 /nfs/dbraw/zinc/07/98/43/1158079843.db2.gz QCUYGKFPQSBXBV-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001753870107 1158079846 /nfs/dbraw/zinc/07/98/46/1158079846.db2.gz QCUYGKFPQSBXBV-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691506262 1158112599 /nfs/dbraw/zinc/11/25/99/1158112599.db2.gz KXOWFKUEJUWZDO-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001565819483 1159892609 /nfs/dbraw/zinc/89/26/09/1159892609.db2.gz HJPCEBARWGKUSR-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001565819483 1159892633 /nfs/dbraw/zinc/89/26/33/1159892633.db2.gz HJPCEBARWGKUSR-OAHLLOKOSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001566854373 1160168197 /nfs/dbraw/zinc/16/81/97/1160168197.db2.gz KAYXBGMJXVPEMU-SOUVJXGZSA-N 2 2 304.394 0.721 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566964973 1160195710 /nfs/dbraw/zinc/19/57/10/1160195710.db2.gz COKAPPNVKAFUOR-LSDHHAIUSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566964973 1160195715 /nfs/dbraw/zinc/19/57/15/1160195715.db2.gz COKAPPNVKAFUOR-LSDHHAIUSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCCC[NH+]1CCN(CCN(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001567721161 1160464236 /nfs/dbraw/zinc/46/42/36/1160464236.db2.gz YUFZMVJLVROHPZ-UHFFFAOYSA-N 2 2 319.453 0.994 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nncs1 ZINC001568277992 1160619381 /nfs/dbraw/zinc/61/93/81/1160619381.db2.gz KZFSLJMVELDEQH-OLZOCXBDSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nncs1 ZINC001568277992 1160619383 /nfs/dbraw/zinc/61/93/83/1160619383.db2.gz KZFSLJMVELDEQH-OLZOCXBDSA-N 2 2 321.450 0.572 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753318 1161224997 /nfs/dbraw/zinc/22/49/97/1161224997.db2.gz WVDCREUXXOUXMB-CZUORRHYSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753318 1161225001 /nfs/dbraw/zinc/22/50/01/1161225001.db2.gz WVDCREUXXOUXMB-CZUORRHYSA-N 2 2 304.394 0.185 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)C1 ZINC001574673508 1163738594 /nfs/dbraw/zinc/73/85/94/1163738594.db2.gz MNWGKAPAWTWOHT-HOCLYGCPSA-N 2 2 301.390 0.909 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)C1 ZINC001574673508 1163738598 /nfs/dbraw/zinc/73/85/98/1163738598.db2.gz MNWGKAPAWTWOHT-HOCLYGCPSA-N 2 2 301.390 0.909 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2C2CC2)CC1 ZINC001574707366 1163741221 /nfs/dbraw/zinc/74/12/21/1163741221.db2.gz QSTBOYBBZHQOLU-CQSZACIVSA-N 2 2 314.437 0.835 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(CC)n2C[C@@H](C)C[NH2+]C)CC1 ZINC001574706859 1163741232 /nfs/dbraw/zinc/74/12/32/1163741232.db2.gz ITBQLFIRFOOHKL-AWEZNQCLSA-N 2 2 304.442 0.451 20 30 DCEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001576813634 1164479952 /nfs/dbraw/zinc/47/99/52/1164479952.db2.gz CJEJHEDSRVDVNA-RDBSUJKOSA-N 2 2 300.410 0.714 20 30 DCEDLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001576813634 1164479955 /nfs/dbraw/zinc/47/99/55/1164479955.db2.gz CJEJHEDSRVDVNA-RDBSUJKOSA-N 2 2 300.410 0.714 20 30 DCEDLP COCC[C@@H]([NH3+])C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC001579000934 1165185304 /nfs/dbraw/zinc/18/53/04/1165185304.db2.gz DBHVZFDTRDOLNN-HZPDHXFCSA-N 2 2 316.405 0.613 20 30 DCEDLP C=CC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)c(N)[nH+]2)CC1 ZINC001602862170 1169194044 /nfs/dbraw/zinc/19/40/44/1169194044.db2.gz FKVNKVGOGHAURM-UHFFFAOYSA-N 2 2 300.370 0.906 20 30 DCEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC001650164454 1173492128 /nfs/dbraw/zinc/49/21/28/1173492128.db2.gz OFJAQOLORHIPMW-CYBMUJFWSA-N 2 2 316.386 0.743 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001667759394 1174708238 /nfs/dbraw/zinc/70/82/38/1174708238.db2.gz YDRVJTABOXQRHE-KBPBESRZSA-N 2 2 304.394 0.477 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001676781521 1175488607 /nfs/dbraw/zinc/48/86/07/1175488607.db2.gz BSBMOSVVVKHAFG-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001677414987 1175563462 /nfs/dbraw/zinc/56/34/62/1175563462.db2.gz ODKODKYELAFYFK-UHFFFAOYSA-N 2 2 304.394 0.502 20 30 DCEDLP C=C(C)CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001690063339 1177157570 /nfs/dbraw/zinc/15/75/70/1177157570.db2.gz ZAHVEOSRXGUAOF-MRXNPFEDSA-N 2 2 308.470 0.781 20 30 DCEDLP C=C(C)CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001690063339 1177157583 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ZINC001132025252 764185515 /nfs/dbraw/zinc/18/55/15/764185515.db2.gz NBGYYXSICKBPFB-LSDHHAIUSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025252 764185520 /nfs/dbraw/zinc/18/55/20/764185520.db2.gz NBGYYXSICKBPFB-LSDHHAIUSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132178979 764293950 /nfs/dbraw/zinc/29/39/50/764293950.db2.gz ZGNURRJXFVVQPZ-GDBMZVCRSA-N 2 2 318.421 0.810 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132178979 764293955 /nfs/dbraw/zinc/29/39/55/764293955.db2.gz ZGNURRJXFVVQPZ-GDBMZVCRSA-N 2 2 318.421 0.810 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488062 765824492 /nfs/dbraw/zinc/82/44/92/765824492.db2.gz CURQTGVSESKXEC-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488062 765824499 /nfs/dbraw/zinc/82/44/99/765824499.db2.gz CURQTGVSESKXEC-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522631 768329944 /nfs/dbraw/zinc/32/99/44/768329944.db2.gz RSNDRRMOASMPFP-BNOWGMLFSA-N 2 2 315.845 0.754 20 30 DCEDLP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001092522631 768329953 /nfs/dbraw/zinc/32/99/53/768329953.db2.gz RSNDRRMOASMPFP-BNOWGMLFSA-N 2 2 315.845 0.754 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001092522631 768329958 /nfs/dbraw/zinc/32/99/58/768329958.db2.gz RSNDRRMOASMPFP-BNOWGMLFSA-N 2 2 315.845 0.754 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001092522631 768329966 /nfs/dbraw/zinc/32/99/66/768329966.db2.gz RSNDRRMOASMPFP-BNOWGMLFSA-N 2 2 315.845 0.754 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136055069 766225823 /nfs/dbraw/zinc/22/58/23/766225823.db2.gz MMQVXXKNMQWYEP-HUUCEWRRSA-N 2 2 320.437 0.875 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595509 769134535 /nfs/dbraw/zinc/13/45/35/769134535.db2.gz APPRGQASSAWHHS-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595509 769134539 /nfs/dbraw/zinc/13/45/39/769134539.db2.gz APPRGQASSAWHHS-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824238 769198236 /nfs/dbraw/zinc/19/82/36/769198236.db2.gz JAHHTUZAFDNKMU-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824238 769198246 /nfs/dbraw/zinc/19/82/46/769198246.db2.gz JAHHTUZAFDNKMU-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587060 769901654 /nfs/dbraw/zinc/90/16/54/769901654.db2.gz BSOQCKPKKVXDGG-HOCLYGCPSA-N 2 2 324.469 0.408 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587060 769901665 /nfs/dbraw/zinc/90/16/65/769901665.db2.gz BSOQCKPKKVXDGG-HOCLYGCPSA-N 2 2 324.469 0.408 20 30 DCEDLP N#Cc1ccccc1C[NH+]1CCC(NS(=O)(=O)CC[NH3+])CC1 ZINC001238808704 770131844 /nfs/dbraw/zinc/13/18/44/770131844.db2.gz ROQVPEGYILKJSM-UHFFFAOYSA-N 2 2 322.434 0.401 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853875 770884988 /nfs/dbraw/zinc/88/49/88/770884988.db2.gz XEAWIFZHDWUHCA-JSGCOSHPSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853875 770885001 /nfs/dbraw/zinc/88/50/01/770885001.db2.gz XEAWIFZHDWUHCA-JSGCOSHPSA-N 2 2 319.409 0.224 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179258867 770976210 /nfs/dbraw/zinc/97/62/10/770976210.db2.gz VFIZDYJLDFDUSE-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)no1 ZINC001160191497 772005787 /nfs/dbraw/zinc/00/57/87/772005787.db2.gz DSNIMZBFBKAOLP-ZDUSSCGKSA-N 2 2 305.382 0.072 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)no1 ZINC001160191497 772005793 /nfs/dbraw/zinc/00/57/93/772005793.db2.gz DSNIMZBFBKAOLP-ZDUSSCGKSA-N 2 2 305.382 0.072 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ncc(C)o1 ZINC001160197885 772006907 /nfs/dbraw/zinc/00/69/07/772006907.db2.gz MJWXXZJAGIHKKU-AWEZNQCLSA-N 2 2 304.394 0.677 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ncc(C)o1 ZINC001160197885 772006914 /nfs/dbraw/zinc/00/69/14/772006914.db2.gz MJWXXZJAGIHKKU-AWEZNQCLSA-N 2 2 304.394 0.677 20 30 DCEDLP C#CC[C@]1(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]1 ZINC001161378251 772213350 /nfs/dbraw/zinc/21/33/50/772213350.db2.gz LAKQESWQJRQPMT-DOTOQJQBSA-N 3 2 304.438 0.156 20 30 DCEDLP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001161534552 772240254 /nfs/dbraw/zinc/24/02/54/772240254.db2.gz NYQPUHPVQBSXHG-AAEUAGOBSA-N 2 2 321.381 0.183 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187989388 772254694 /nfs/dbraw/zinc/25/46/94/772254694.db2.gz XGKKTSXPIASGDU-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188715040 772350297 /nfs/dbraw/zinc/35/02/97/772350297.db2.gz MSMXYZLXXIPXJF-JKSUJKDBSA-N 2 2 316.405 0.456 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001188715040 772350304 /nfs/dbraw/zinc/35/03/04/772350304.db2.gz MSMXYZLXXIPXJF-JKSUJKDBSA-N 2 2 316.405 0.456 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176863 772602137 /nfs/dbraw/zinc/60/21/37/772602137.db2.gz IQGGYPJVNXMZMK-JKSUJKDBSA-N 2 2 316.405 0.374 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176863 772602140 /nfs/dbraw/zinc/60/21/40/772602140.db2.gz IQGGYPJVNXMZMK-JKSUJKDBSA-N 2 2 316.405 0.374 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165384014 772730494 /nfs/dbraw/zinc/73/04/94/772730494.db2.gz ZTIRNVVRTVKDKK-UHFFFAOYSA-N 2 2 318.421 0.868 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165384014 772730497 /nfs/dbraw/zinc/73/04/97/772730497.db2.gz ZTIRNVVRTVKDKK-UHFFFAOYSA-N 2 2 318.421 0.868 20 30 DCEDLP C=CCC[NH2+]CCCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001165731650 772758463 /nfs/dbraw/zinc/75/84/63/772758463.db2.gz LUUWXDBESIJEGA-AWEZNQCLSA-N 2 2 307.398 0.129 20 30 DCEDLP C=CCC[NH2+]CCCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001165731650 772758466 /nfs/dbraw/zinc/75/84/66/772758466.db2.gz LUUWXDBESIJEGA-AWEZNQCLSA-N 2 2 307.398 0.129 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001196275925 773573191 /nfs/dbraw/zinc/57/31/91/773573191.db2.gz OYZZIPLCIVBDEN-CQSZACIVSA-N 2 2 310.442 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001196275925 773573195 /nfs/dbraw/zinc/57/31/95/773573195.db2.gz OYZZIPLCIVBDEN-CQSZACIVSA-N 2 2 310.442 0.163 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nnc(C)s2)CC1 ZINC001152330309 773730932 /nfs/dbraw/zinc/73/09/32/773730932.db2.gz LNDXELGIVAASJE-UHFFFAOYSA-N 2 2 321.450 0.398 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210847905 773743816 /nfs/dbraw/zinc/74/38/16/773743816.db2.gz VWNLMMUBEODWBT-CQSZACIVSA-N 2 2 304.394 0.491 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197689570 773783362 /nfs/dbraw/zinc/78/33/62/773783362.db2.gz KOIBIWQPRBXFLR-NUJGCVRESA-N 2 2 317.433 0.811 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197689570 773783368 /nfs/dbraw/zinc/78/33/68/773783368.db2.gz KOIBIWQPRBXFLR-NUJGCVRESA-N 2 2 317.433 0.811 20 30 DCEDLP C=CCOCC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197951516 773827024 /nfs/dbraw/zinc/82/70/24/773827024.db2.gz XTROCZZKOGHWBB-UHFFFAOYSA-N 2 2 306.410 0.998 20 30 DCEDLP C=CCOCC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197951516 773827028 /nfs/dbraw/zinc/82/70/28/773827028.db2.gz XTROCZZKOGHWBB-UHFFFAOYSA-N 2 2 306.410 0.998 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001216803148 774138574 /nfs/dbraw/zinc/13/85/74/774138574.db2.gz QVMZQHDFSIULQL-DJIMGWMZSA-N 2 2 319.449 0.557 20 30 DCEDLP N#Cc1cnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(Br)c1 ZINC001218551277 774244984 /nfs/dbraw/zinc/24/49/84/774244984.db2.gz ATXCDTHYBSQKAN-APPZFPTMSA-N 2 2 310.155 0.343 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049495 774352833 /nfs/dbraw/zinc/35/28/33/774352833.db2.gz QFQNQSHWMDTFIF-JKSUJKDBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219049495 774352839 /nfs/dbraw/zinc/35/28/39/774352839.db2.gz QFQNQSHWMDTFIF-JKSUJKDBSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC001200843105 774415149 /nfs/dbraw/zinc/41/51/49/774415149.db2.gz XNRRAZMGOOVHOR-LSDHHAIUSA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908666 774642825 /nfs/dbraw/zinc/64/28/25/774642825.db2.gz OFOPZRQPKYQJQP-KFWWJZLASA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001219908666 774642830 /nfs/dbraw/zinc/64/28/30/774642830.db2.gz OFOPZRQPKYQJQP-KFWWJZLASA-N 2 2 318.421 0.573 20 30 DCEDLP C=CC[C@@](C)(NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(=O)OC ZINC001221382648 775081239 /nfs/dbraw/zinc/08/12/39/775081239.db2.gz WKAFHRFGMJENHJ-CZUORRHYSA-N 2 2 305.378 0.883 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611317 775261647 /nfs/dbraw/zinc/26/16/47/775261647.db2.gz PFNYUKCGJCRWKT-RBGFHDKUSA-N 2 2 305.422 0.450 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611317 775261653 /nfs/dbraw/zinc/26/16/53/775261653.db2.gz PFNYUKCGJCRWKT-RBGFHDKUSA-N 2 2 305.422 0.450 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611317 775261659 /nfs/dbraw/zinc/26/16/59/775261659.db2.gz PFNYUKCGJCRWKT-RBGFHDKUSA-N 2 2 305.422 0.450 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611317 775261667 /nfs/dbraw/zinc/26/16/67/775261667.db2.gz PFNYUKCGJCRWKT-RBGFHDKUSA-N 2 2 305.422 0.450 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266332780 939078855 /nfs/dbraw/zinc/07/88/55/939078855.db2.gz YZKHGSWPCQNXSO-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001266332780 939078859 /nfs/dbraw/zinc/07/88/59/939078859.db2.gz YZKHGSWPCQNXSO-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266332780 939078862 /nfs/dbraw/zinc/07/88/62/939078862.db2.gz YZKHGSWPCQNXSO-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001266332780 939078864 /nfs/dbraw/zinc/07/88/64/939078864.db2.gz YZKHGSWPCQNXSO-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP CC#CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001480904794 939287631 /nfs/dbraw/zinc/28/76/31/939287631.db2.gz LMMHSKXPDTZLPP-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001480904794 939287634 /nfs/dbraw/zinc/28/76/34/939287634.db2.gz LMMHSKXPDTZLPP-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001480904794 939287637 /nfs/dbraw/zinc/28/76/37/939287637.db2.gz LMMHSKXPDTZLPP-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001480904794 939287641 /nfs/dbraw/zinc/28/76/41/939287641.db2.gz LMMHSKXPDTZLPP-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267084862 939335275 /nfs/dbraw/zinc/33/52/75/939335275.db2.gz DWCOQLZIKHXAFW-JKSUJKDBSA-N 2 2 318.421 0.940 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1 ZINC001481242861 939663956 /nfs/dbraw/zinc/66/39/56/939663956.db2.gz YDKNFFVEAPWVFD-OCCSQVGLSA-N 2 2 319.409 0.585 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1 ZINC001481242861 939663957 /nfs/dbraw/zinc/66/39/57/939663957.db2.gz YDKNFFVEAPWVFD-OCCSQVGLSA-N 2 2 319.409 0.585 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481526285 939917460 /nfs/dbraw/zinc/91/74/60/939917460.db2.gz LFVRQDSKDXYGOY-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481526285 939917464 /nfs/dbraw/zinc/91/74/64/939917464.db2.gz LFVRQDSKDXYGOY-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481526285 939917465 /nfs/dbraw/zinc/91/74/65/939917465.db2.gz LFVRQDSKDXYGOY-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481526285 939917469 /nfs/dbraw/zinc/91/74/69/939917469.db2.gz LFVRQDSKDXYGOY-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268085627 939931895 /nfs/dbraw/zinc/93/18/95/939931895.db2.gz HUHRARCGTSIUQV-GJZGRUSLSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[NH2+]CCCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001268800131 940365096 /nfs/dbraw/zinc/36/50/96/940365096.db2.gz KLIGOFPEXSVJQZ-UHFFFAOYSA-N 2 2 319.405 0.721 20 30 DCEDLP C#CCC[N@@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001269644950 940749251 /nfs/dbraw/zinc/74/92/51/940749251.db2.gz VCRUIXXTDJSYDX-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CCC[N@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001269644950 940749252 /nfs/dbraw/zinc/74/92/52/940749252.db2.gz VCRUIXXTDJSYDX-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001482439077 941221229 /nfs/dbraw/zinc/22/12/29/941221229.db2.gz KRQFNZGADPWLFR-HUUCEWRRSA-N 2 2 306.410 0.912 20 30 DCEDLP C=CCCC[NH+]1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001271361797 941358805 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DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c[nH+]cn2C)c1C#N ZINC001321323976 946277550 /nfs/dbraw/zinc/27/75/50/946277550.db2.gz CXJSUEARHNFANW-UHFFFAOYSA-N 2 2 315.381 0.738 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC001324097189 947313452 /nfs/dbraw/zinc/31/34/52/947313452.db2.gz IDOLYXVCTSLQGF-DZGCQCFKSA-N 2 2 318.421 0.880 20 30 DCEDLP COCC#CC[N@H+](C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001273540927 947947239 /nfs/dbraw/zinc/94/72/39/947947239.db2.gz HXDUPFDYXGVXSB-UHFFFAOYSA-N 2 2 320.437 0.783 20 30 DCEDLP COCC#CC[N@@H+](C)CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001273540927 947947249 /nfs/dbraw/zinc/94/72/49/947947249.db2.gz HXDUPFDYXGVXSB-UHFFFAOYSA-N 2 2 320.437 0.783 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001327037427 948374520 /nfs/dbraw/zinc/37/45/20/948374520.db2.gz ZEYOFCPRTHJATD-MGPQQGTHSA-N 2 2 304.394 0.527 20 30 DCEDLP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)CC1 ZINC001327093171 948394947 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1020010510 /nfs/dbraw/zinc/01/05/10/1020010510.db2.gz OTNNCOVVKINPGI-OAHLLOKOSA-N 2 2 318.421 0.772 20 30 DCEDLP CNC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000264562528 529864930 /nfs/dbraw/zinc/86/49/30/529864930.db2.gz PPCPWYIKHGBBPF-UHFFFAOYSA-N 2 2 320.393 0.026 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173641456 198235298 /nfs/dbraw/zinc/23/52/98/198235298.db2.gz LZHNMHTZIUQNGP-LBPRGKRZSA-N 2 2 312.414 0.087 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154626 236892868 /nfs/dbraw/zinc/89/28/68/236892868.db2.gz MEEXWMLDVAZPCU-ZBFHGGJFSA-N 2 2 320.437 0.827 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154626 236892874 /nfs/dbraw/zinc/89/28/74/236892874.db2.gz MEEXWMLDVAZPCU-ZBFHGGJFSA-N 2 2 320.437 0.827 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491724179 533104202 /nfs/dbraw/zinc/10/42/02/533104202.db2.gz DWDNKHQKABUKPP-UHFFFAOYSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491724179 533104206 /nfs/dbraw/zinc/10/42/06/533104206.db2.gz DWDNKHQKABUKPP-UHFFFAOYSA-N 3 2 323.485 0.267 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716967 396650765 /nfs/dbraw/zinc/65/07/65/396650765.db2.gz NQDMCTUTMMBWJT-HZPDHXFCSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716967 396650768 /nfs/dbraw/zinc/65/07/68/396650768.db2.gz NQDMCTUTMMBWJT-HZPDHXFCSA-N 2 2 322.453 0.934 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590599373 396808742 /nfs/dbraw/zinc/80/87/42/396808742.db2.gz BXDUTWJIBJYIAJ-INIZCTEOSA-N 2 2 322.453 0.935 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000590599373 396808749 /nfs/dbraw/zinc/80/87/49/396808749.db2.gz BXDUTWJIBJYIAJ-INIZCTEOSA-N 2 2 322.453 0.935 20 30 DCEDLP CN(c1cncc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000591458858 396923913 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DCEDLP C#CC[NH+](C)CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000491440309 416599347 /nfs/dbraw/zinc/59/93/47/416599347.db2.gz OKZRDODOMJXZLS-HOTGVXAUSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000491440309 416599350 /nfs/dbraw/zinc/59/93/50/416599350.db2.gz OKZRDODOMJXZLS-HOTGVXAUSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000491440309 416599351 /nfs/dbraw/zinc/59/93/51/416599351.db2.gz OKZRDODOMJXZLS-HOTGVXAUSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000491440309 416599356 /nfs/dbraw/zinc/59/93/56/416599356.db2.gz OKZRDODOMJXZLS-HOTGVXAUSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C23CCCC3)CC1 ZINC000491629473 416606903 /nfs/dbraw/zinc/60/69/03/416606903.db2.gz MAMLNOVMGKOEOZ-OAHLLOKOSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)CC1 ZINC000491629473 416606907 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WROIKXIAPOCAHM-AWEZNQCLSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001733341012 1186233353 /nfs/dbraw/zinc/23/33/53/1186233353.db2.gz WROIKXIAPOCAHM-AWEZNQCLSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001733541101 1186326648 /nfs/dbraw/zinc/32/66/48/1186326648.db2.gz WYRKSLXBLQJDOO-LSDHHAIUSA-N 2 2 306.410 0.912 20 30 DCEDLP C=CC[NH2+]C1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001733582571 1186341777 /nfs/dbraw/zinc/34/17/77/1186341777.db2.gz HDNJNGPDOYTRMU-UHFFFAOYSA-N 2 2 305.426 0.629 20 30 DCEDLP CC#CC[NH2+]CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001733616763 1186369809 /nfs/dbraw/zinc/36/98/09/1186369809.db2.gz BJBDRIXSJGOXQC-UHFFFAOYSA-N 2 2 300.362 0.382 20 30 DCEDLP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001733709093 1186410417 /nfs/dbraw/zinc/41/04/17/1186410417.db2.gz MSSQPOZHCSFOGF-OAHLLOKOSA-N 2 2 306.410 0.975 20 30 DCEDLP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001733709093 1186410421 /nfs/dbraw/zinc/41/04/21/1186410421.db2.gz MSSQPOZHCSFOGF-OAHLLOKOSA-N 2 2 306.410 0.975 20 30 DCEDLP COCC#CC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001734587939 1186696315 /nfs/dbraw/zinc/69/63/15/1186696315.db2.gz YZCXTYPXICZNRA-AWEZNQCLSA-N 2 2 318.421 0.819 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001752370121 1188418470 /nfs/dbraw/zinc/41/84/70/1188418470.db2.gz GUQUMNGKAPCUQL-UHFFFAOYSA-N 2 2 305.426 0.583 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001753341856 1188567414 /nfs/dbraw/zinc/56/74/14/1188567414.db2.gz FASFIFDZNWXASE-UHFFFAOYSA-N 2 2 306.454 0.180 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753556064 1188617820 /nfs/dbraw/zinc/61/78/20/1188617820.db2.gz ILPFOIBWVUBSAF-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001753583834 1188620263 /nfs/dbraw/zinc/62/02/63/1188620263.db2.gz UGOVOAZNBJJDGP-WKILWMFISA-N 2 2 318.421 0.940 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753633110 1188627465 /nfs/dbraw/zinc/62/74/65/1188627465.db2.gz BONKQZZJTNZJGQ-HUUCEWRRSA-N 2 2 306.410 0.826 20 30 DCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001754161619 1188764500 /nfs/dbraw/zinc/76/45/00/1188764500.db2.gz HAWIHBHFSJGWRV-TUYSUELWSA-N 2 2 319.449 0.915 20 30 DCEDLP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001754161619 1188764503 /nfs/dbraw/zinc/76/45/03/1188764503.db2.gz HAWIHBHFSJGWRV-TUYSUELWSA-N 2 2 319.449 0.915 20 30 DCEDLP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001754161616 1188765069 /nfs/dbraw/zinc/76/50/69/1188765069.db2.gz HAWIHBHFSJGWRV-DKRLNXSXSA-N 2 2 319.449 0.915 20 30 DCEDLP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001754161616 1188765072 /nfs/dbraw/zinc/76/50/72/1188765072.db2.gz HAWIHBHFSJGWRV-DKRLNXSXSA-N 2 2 319.449 0.915 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nc(C)no2)CC1 ZINC001754254902 1188799976 /nfs/dbraw/zinc/79/99/76/1188799976.db2.gz SFQFHHXVJFEMGQ-GFCCVEGCSA-N 2 2 319.409 0.318 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nnc(C)[nH]1 ZINC001754376585 1188836612 /nfs/dbraw/zinc/83/66/12/1188836612.db2.gz KTPQVNWDHIFTDR-AWEZNQCLSA-N 2 2 318.425 0.149 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nnc(C)[nH]1 ZINC001754376585 1188836615 /nfs/dbraw/zinc/83/66/15/1188836615.db2.gz KTPQVNWDHIFTDR-AWEZNQCLSA-N 2 2 318.425 0.149 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001754492823 1188866831 /nfs/dbraw/zinc/86/68/31/1188866831.db2.gz LKHABYYBSBCBPH-UKRRQHHQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001754492823 1188866834 /nfs/dbraw/zinc/86/68/34/1188866834.db2.gz LKHABYYBSBCBPH-UKRRQHHQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752793 1188922228 /nfs/dbraw/zinc/92/22/28/1188922228.db2.gz QDUBPFATRJMGEW-CZUORRHYSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752793 1188922232 /nfs/dbraw/zinc/92/22/32/1188922232.db2.gz QDUBPFATRJMGEW-CZUORRHYSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001754754760 1188922555 /nfs/dbraw/zinc/92/25/55/1188922555.db2.gz QVSCXBBHUIEDLK-MRXNPFEDSA-N 2 2 306.410 0.666 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001754754760 1188922559 /nfs/dbraw/zinc/92/25/59/1188922559.db2.gz QVSCXBBHUIEDLK-MRXNPFEDSA-N 2 2 306.410 0.666 20 30 DCEDLP C#CC[NH2+]C1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001754849272 1188947725 /nfs/dbraw/zinc/94/77/25/1188947725.db2.gz NHBYKAIWHILFRX-UHFFFAOYSA-N 2 2 303.410 0.077 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1c[nH+]cc1C)O2 ZINC001755054744 1189007203 /nfs/dbraw/zinc/00/72/03/1189007203.db2.gz UJZQJKFGVKPDGG-OAHLLOKOSA-N 2 2 316.405 0.564 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001755150488 1189037095 /nfs/dbraw/zinc/03/70/95/1189037095.db2.gz RAUSZAMCTPJFMA-CQSZACIVSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cnn(C)c1 ZINC001755303314 1189074627 /nfs/dbraw/zinc/07/46/27/1189074627.db2.gz KTLLEZVIZIPEMI-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cnn(C)c1 ZINC001755303314 1189074629 /nfs/dbraw/zinc/07/46/29/1189074629.db2.gz KTLLEZVIZIPEMI-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC001755303314 1189074632 /nfs/dbraw/zinc/07/46/32/1189074632.db2.gz KTLLEZVIZIPEMI-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC001755303314 1189074635 /nfs/dbraw/zinc/07/46/35/1189074635.db2.gz KTLLEZVIZIPEMI-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001755662281 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ZINC001098550535 747240617 /nfs/dbraw/zinc/24/06/17/747240617.db2.gz SDBWRENUFFRYRO-UHFFFAOYSA-N 2 2 320.437 0.824 20 30 DCEDLP C=CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001098550535 747240624 /nfs/dbraw/zinc/24/06/24/747240624.db2.gz SDBWRENUFFRYRO-UHFFFAOYSA-N 2 2 320.437 0.824 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167992567 748861205 /nfs/dbraw/zinc/86/12/05/748861205.db2.gz ZNYUJQVRNYQIFD-OLZOCXBDSA-N 2 2 321.425 0.375 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167992567 748861207 /nfs/dbraw/zinc/86/12/07/748861207.db2.gz ZNYUJQVRNYQIFD-OLZOCXBDSA-N 2 2 321.425 0.375 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088751958 749971787 /nfs/dbraw/zinc/97/17/87/749971787.db2.gz OGSUWDDQGVJLKJ-KGLIPLIRSA-N 2 2 300.406 0.974 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088751958 749971793 /nfs/dbraw/zinc/97/17/93/749971793.db2.gz OGSUWDDQGVJLKJ-KGLIPLIRSA-N 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ZINC001047415503 754262286 /nfs/dbraw/zinc/26/22/86/754262286.db2.gz CLELLDMGACZDNC-UXOAXIEHSA-N 2 2 304.394 0.593 20 30 DCEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047415503 754262293 /nfs/dbraw/zinc/26/22/93/754262293.db2.gz CLELLDMGACZDNC-UXOAXIEHSA-N 2 2 304.394 0.593 20 30 DCEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001047415503 754262298 /nfs/dbraw/zinc/26/22/98/754262298.db2.gz CLELLDMGACZDNC-UXOAXIEHSA-N 2 2 304.394 0.593 20 30 DCEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001047415503 754262300 /nfs/dbraw/zinc/26/23/00/754262300.db2.gz CLELLDMGACZDNC-UXOAXIEHSA-N 2 2 304.394 0.593 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047505800 754343706 /nfs/dbraw/zinc/34/37/06/754343706.db2.gz XGYHKJHDBJLYNW-KBPBESRZSA-N 2 2 307.394 0.644 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047505800 754343711 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/nfs/dbraw/zinc/81/80/67/756818067.db2.gz MUPKGODBGMICKZ-IXDOHACOSA-N 2 2 319.449 0.866 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082149965 756937957 /nfs/dbraw/zinc/93/79/57/756937957.db2.gz YFVWMCGYRHIGCH-IXYNUQLISA-N 2 2 318.421 0.915 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082149965 756937960 /nfs/dbraw/zinc/93/79/60/756937960.db2.gz YFVWMCGYRHIGCH-IXYNUQLISA-N 2 2 318.421 0.915 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2OC)CC1 ZINC001082384208 757090479 /nfs/dbraw/zinc/09/04/79/757090479.db2.gz IZMQUBABLJMIAY-HUUCEWRRSA-N 2 2 311.401 0.117 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2OC)CC1 ZINC001082384208 757090488 /nfs/dbraw/zinc/09/04/88/757090488.db2.gz IZMQUBABLJMIAY-HUUCEWRRSA-N 2 2 311.401 0.117 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001082934622 757334868 /nfs/dbraw/zinc/33/48/68/757334868.db2.gz RQRFTGXMOQCFNF-BMFZPTHFSA-N 2 2 305.422 0.167 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001052051535 759143708 /nfs/dbraw/zinc/14/37/08/759143708.db2.gz AGULWPDBQKDVBU-INIZCTEOSA-N 2 2 315.421 0.043 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260774 760003075 /nfs/dbraw/zinc/00/30/75/760003075.db2.gz WGBHHWMVFLJIPX-SFHVURJKSA-N 2 2 321.465 0.949 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260774 760003083 /nfs/dbraw/zinc/00/30/83/760003083.db2.gz WGBHHWMVFLJIPX-SFHVURJKSA-N 2 2 321.465 0.949 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109067365 761223713 /nfs/dbraw/zinc/22/37/13/761223713.db2.gz CMYGHNOIMBFWPM-QPSCCSFWSA-N 2 2 320.437 0.104 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109067365 761223717 /nfs/dbraw/zinc/22/37/17/761223717.db2.gz CMYGHNOIMBFWPM-QPSCCSFWSA-N 2 2 320.437 0.104 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109067365 761223722 /nfs/dbraw/zinc/22/37/22/761223722.db2.gz CMYGHNOIMBFWPM-QPSCCSFWSA-N 2 2 320.437 0.104 20 30 DCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109067365 761223726 /nfs/dbraw/zinc/22/37/26/761223726.db2.gz CMYGHNOIMBFWPM-QPSCCSFWSA-N 2 2 320.437 0.104 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245447 761734738 /nfs/dbraw/zinc/73/47/38/761734738.db2.gz CSVBLXNQHVTGJA-GOEBONIOSA-N 2 2 302.378 0.208 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245447 761734739 /nfs/dbraw/zinc/73/47/39/761734739.db2.gz CSVBLXNQHVTGJA-GOEBONIOSA-N 2 2 302.378 0.208 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404614 762937381 /nfs/dbraw/zinc/93/73/81/762937381.db2.gz YWAVOXLWROLHPB-KGLIPLIRSA-N 2 2 306.414 0.147 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404614 762937384 /nfs/dbraw/zinc/93/73/84/762937384.db2.gz YWAVOXLWROLHPB-KGLIPLIRSA-N 2 2 306.414 0.147 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404614 762937392 /nfs/dbraw/zinc/93/73/92/762937392.db2.gz YWAVOXLWROLHPB-KGLIPLIRSA-N 2 2 306.414 0.147 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129404614 762937399 /nfs/dbraw/zinc/93/73/99/762937399.db2.gz YWAVOXLWROLHPB-KGLIPLIRSA-N 2 2 306.414 0.147 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929367 763134840 /nfs/dbraw/zinc/13/48/40/763134840.db2.gz XQRIYYIUMOQENL-HUUCEWRRSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929367 763134845 /nfs/dbraw/zinc/13/48/45/763134845.db2.gz XQRIYYIUMOQENL-HUUCEWRRSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCOCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871529 763835709 /nfs/dbraw/zinc/83/57/09/763835709.db2.gz VRAYLUNMWCQDEQ-UHFFFAOYSA-N 2 2 306.410 0.650 20 30 DCEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001133255236 764899266 /nfs/dbraw/zinc/89/92/66/764899266.db2.gz LHYAFZGSOBNBMS-WFASDCNBSA-N 2 2 321.425 0.517 20 30 DCEDLP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001133255236 764899272 /nfs/dbraw/zinc/89/92/72/764899272.db2.gz LHYAFZGSOBNBMS-WFASDCNBSA-N 2 2 321.425 0.517 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115120718 765597191 /nfs/dbraw/zinc/59/71/91/765597191.db2.gz DISCVBKZURBZLE-FOLVSLTJSA-N 2 2 304.394 0.212 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115120718 765597199 /nfs/dbraw/zinc/59/71/99/765597199.db2.gz DISCVBKZURBZLE-FOLVSLTJSA-N 2 2 304.394 0.212 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190330 765633267 /nfs/dbraw/zinc/63/32/67/765633267.db2.gz NOIFUBAXVIPADR-QLPKVWCKSA-N 2 2 318.421 0.602 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190330 765633275 /nfs/dbraw/zinc/63/32/75/765633275.db2.gz NOIFUBAXVIPADR-QLPKVWCKSA-N 2 2 318.421 0.602 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135137624 765812656 /nfs/dbraw/zinc/81/26/56/765812656.db2.gz SFDDLXHCFIHAFL-GJZGRUSLSA-N 2 2 306.410 0.796 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086737490 765949946 /nfs/dbraw/zinc/94/99/46/765949946.db2.gz MALIYZIIYRPKLW-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001091106707 766933034 /nfs/dbraw/zinc/93/30/34/766933034.db2.gz SRXSNZRRZCIMKV-ROKHWSDSSA-N 2 2 300.406 0.941 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001091106707 766933044 /nfs/dbraw/zinc/93/30/44/766933044.db2.gz SRXSNZRRZCIMKV-ROKHWSDSSA-N 2 2 300.406 0.941 20 30 DCEDLP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596991 769136234 /nfs/dbraw/zinc/13/62/34/769136234.db2.gz RUBCSHKWDTZOAK-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596991 769136239 /nfs/dbraw/zinc/13/62/39/769136239.db2.gz RUBCSHKWDTZOAK-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150664115 769154502 /nfs/dbraw/zinc/15/45/02/769154502.db2.gz QWTDUJXUCFNQAV-AWEZNQCLSA-N 2 2 304.394 0.491 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150664115 769154503 /nfs/dbraw/zinc/15/45/03/769154503.db2.gz QWTDUJXUCFNQAV-AWEZNQCLSA-N 2 2 304.394 0.491 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235300451 769799484 /nfs/dbraw/zinc/79/94/84/769799484.db2.gz AGAMJMYGNXHYLT-JKSUJKDBSA-N 2 2 317.437 0.369 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235300451 769799491 /nfs/dbraw/zinc/79/94/91/769799491.db2.gz AGAMJMYGNXHYLT-JKSUJKDBSA-N 2 2 317.437 0.369 20 30 DCEDLP N#CCOc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001153487516 769826381 /nfs/dbraw/zinc/82/63/81/769826381.db2.gz BAGWPXWSAUPQQC-UHFFFAOYSA-N 2 2 313.361 0.691 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586510 771932844 /nfs/dbraw/zinc/93/28/44/771932844.db2.gz PQPFPQIXMCJAII-KGLIPLIRSA-N 2 2 316.405 0.670 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189899042 772563556 /nfs/dbraw/zinc/56/35/56/772563556.db2.gz VXLHHMBYXJUSJA-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189899042 772563559 /nfs/dbraw/zinc/56/35/59/772563559.db2.gz VXLHHMBYXJUSJA-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189899042 772563562 /nfs/dbraw/zinc/56/35/62/772563562.db2.gz VXLHHMBYXJUSJA-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189899042 772563564 /nfs/dbraw/zinc/56/35/64/772563564.db2.gz VXLHHMBYXJUSJA-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206404251 773074122 /nfs/dbraw/zinc/07/41/22/773074122.db2.gz XGPJUGLJWCFGAV-UHFFFAOYSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001197181175 773701124 /nfs/dbraw/zinc/70/11/24/773701124.db2.gz SQVBEIVZLMALHQ-GJZGRUSLSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001197181175 773701128 /nfs/dbraw/zinc/70/11/28/773701128.db2.gz SQVBEIVZLMALHQ-GJZGRUSLSA-N 2 2 324.469 0.552 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCCO1 ZINC001200858537 774418329 /nfs/dbraw/zinc/41/83/29/774418329.db2.gz HDCNUUSHNDREIE-AWEZNQCLSA-N 2 2 320.393 0.190 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201105058 774447976 /nfs/dbraw/zinc/44/79/76/774447976.db2.gz XTEATUJDFFCLIH-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001201944074 774584983 /nfs/dbraw/zinc/58/49/83/774584983.db2.gz DSFZECJBZONMMZ-CQSZACIVSA-N 2 2 304.394 0.491 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202218404 774617933 /nfs/dbraw/zinc/61/79/33/774617933.db2.gz ZBNYAFVRAQOWSR-CYBMUJFWSA-N 2 2 312.801 0.843 20 30 DCEDLP C=CC[NH2+]C1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC001202301123 774632762 /nfs/dbraw/zinc/63/27/62/774632762.db2.gz ALXLJWRWTQHBGV-HNNXBMFYSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CC[NH2+]C1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC001202301123 774632764 /nfs/dbraw/zinc/63/27/64/774632764.db2.gz ALXLJWRWTQHBGV-HNNXBMFYSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328822 774773069 /nfs/dbraw/zinc/77/30/69/774773069.db2.gz RBHOXCNRHCOIMK-CFVMTHIKSA-N 2 2 318.421 0.957 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001220328822 774773073 /nfs/dbraw/zinc/77/30/73/774773073.db2.gz RBHOXCNRHCOIMK-CFVMTHIKSA-N 2 2 318.421 0.957 20 30 DCEDLP N#Cc1ccccc1OCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220685139 774888620 /nfs/dbraw/zinc/88/86/20/774888620.db2.gz PQBZWZYHGPZNBG-RHSMWYFYSA-N 2 2 314.389 0.395 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095228 774994074 /nfs/dbraw/zinc/99/40/74/774994074.db2.gz BCGBANSYXYEAKL-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095228 774994079 /nfs/dbraw/zinc/99/40/79/774994079.db2.gz BCGBANSYXYEAKL-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCOCC)C[C@H]21 ZINC001221626213 775159828 /nfs/dbraw/zinc/15/98/28/775159828.db2.gz VYRHJLPPYBREOE-IXDOHACOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCOCC)C[C@H]21 ZINC001221626213 775159832 /nfs/dbraw/zinc/15/98/32/775159832.db2.gz VYRHJLPPYBREOE-IXDOHACOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCC)C[C@H]21 ZINC001221626213 775159835 /nfs/dbraw/zinc/15/98/35/775159835.db2.gz VYRHJLPPYBREOE-IXDOHACOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCOCC)C[C@H]21 ZINC001221626213 775159838 /nfs/dbraw/zinc/15/98/38/775159838.db2.gz VYRHJLPPYBREOE-IXDOHACOSA-N 2 2 319.449 0.653 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001266488942 939133455 /nfs/dbraw/zinc/13/34/55/939133455.db2.gz SQOQFGUROMYHFW-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001266488942 939133459 /nfs/dbraw/zinc/13/34/59/939133459.db2.gz SQOQFGUROMYHFW-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001266602384 939175839 /nfs/dbraw/zinc/17/58/39/939175839.db2.gz DRXDNLIDXTWJKN-UHFFFAOYSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001266602384 939175842 /nfs/dbraw/zinc/17/58/42/939175842.db2.gz DRXDNLIDXTWJKN-UHFFFAOYSA-N 2 2 304.394 0.422 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267246443 939401890 /nfs/dbraw/zinc/40/18/90/939401890.db2.gz ZWWDVZLSFNCXMX-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP CC[N@H+](CC#CCOC)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267246443 939401893 /nfs/dbraw/zinc/40/18/93/939401893.db2.gz ZWWDVZLSFNCXMX-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267386798 939444945 /nfs/dbraw/zinc/44/49/45/939444945.db2.gz VNLHAWHXIQQWKM-ZDUSSCGKSA-N 2 2 307.423 0.184 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267386798 939444947 /nfs/dbraw/zinc/44/49/47/939444947.db2.gz VNLHAWHXIQQWKM-ZDUSSCGKSA-N 2 2 307.423 0.184 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001481304214 939734106 /nfs/dbraw/zinc/73/41/06/939734106.db2.gz MMCROACWMQTGHP-LBPRGKRZSA-N 2 2 321.425 0.426 20 30 DCEDLP COCC#CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001481357309 939759210 /nfs/dbraw/zinc/75/92/10/939759210.db2.gz ZZCWQKYGPDQVOR-UHFFFAOYSA-N 2 2 320.437 0.829 20 30 DCEDLP COCC#CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001481357309 939759213 /nfs/dbraw/zinc/75/92/13/939759213.db2.gz ZZCWQKYGPDQVOR-UHFFFAOYSA-N 2 2 320.437 0.829 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481693237 940045575 /nfs/dbraw/zinc/04/55/75/940045575.db2.gz HFJWUSQXIRSMOE-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481693237 940045577 /nfs/dbraw/zinc/04/55/77/940045577.db2.gz HFJWUSQXIRSMOE-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001481734747 940098172 /nfs/dbraw/zinc/09/81/72/940098172.db2.gz VYWDQGRKLBFBTI-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001481734747 940098176 /nfs/dbraw/zinc/09/81/76/940098176.db2.gz VYWDQGRKLBFBTI-CQSZACIVSA-N 2 2 319.409 0.026 20 30 DCEDLP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268694119 940333695 /nfs/dbraw/zinc/33/36/95/940333695.db2.gz VKHDNEGRRQSENG-KBPBESRZSA-N 2 2 306.410 0.742 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268964525 940419892 /nfs/dbraw/zinc/41/98/92/940419892.db2.gz CKBCVBIEOSSWNY-QAETUUGQSA-N 2 2 319.449 0.652 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268964525 940419894 /nfs/dbraw/zinc/41/98/94/940419894.db2.gz CKBCVBIEOSSWNY-QAETUUGQSA-N 2 2 319.449 0.652 20 30 DCEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268964525 940419896 /nfs/dbraw/zinc/41/98/96/940419896.db2.gz CKBCVBIEOSSWNY-QAETUUGQSA-N 2 2 319.449 0.652 20 30 DCEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268964525 940419898 /nfs/dbraw/zinc/41/98/98/940419898.db2.gz CKBCVBIEOSSWNY-QAETUUGQSA-N 2 2 319.449 0.652 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccon1 ZINC001482296165 940921123 /nfs/dbraw/zinc/92/11/23/940921123.db2.gz IAOZEIZCMNPPJD-ZFWWWQNUSA-N 2 2 304.394 0.709 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccon1 ZINC001482296165 940921125 /nfs/dbraw/zinc/92/11/25/940921125.db2.gz IAOZEIZCMNPPJD-ZFWWWQNUSA-N 2 2 304.394 0.709 20 30 DCEDLP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483118324 941858730 /nfs/dbraw/zinc/85/87/30/941858730.db2.gz UGHYCXLCPJFXOK-WBVHZDCISA-N 2 2 315.417 0.463 20 30 DCEDLP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483118324 941858733 /nfs/dbraw/zinc/85/87/33/941858733.db2.gz UGHYCXLCPJFXOK-WBVHZDCISA-N 2 2 315.417 0.463 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083630640 942280690 /nfs/dbraw/zinc/28/06/90/942280690.db2.gz GVBXCWSVGACETA-CABCVRRESA-N 2 2 313.361 0.228 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083630640 942280695 /nfs/dbraw/zinc/28/06/95/942280695.db2.gz GVBXCWSVGACETA-CABCVRRESA-N 2 2 313.361 0.228 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647265 942381837 /nfs/dbraw/zinc/38/18/37/942381837.db2.gz UEKQBVOJJWKAGS-HIFRSBDPSA-N 2 2 304.394 0.109 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](O)C1 ZINC001083647265 942381844 /nfs/dbraw/zinc/38/18/44/942381844.db2.gz UEKQBVOJJWKAGS-HIFRSBDPSA-N 2 2 304.394 0.109 20 30 DCEDLP C#CCN(C(=O)CC[NH+]1CCOCC1)C1CC[NH+](CC#C)CC1 ZINC001483987894 943073817 /nfs/dbraw/zinc/07/38/17/943073817.db2.gz HXMPVMAWZWZKRT-UHFFFAOYSA-N 2 2 317.433 0.268 20 30 DCEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484446109 943401383 /nfs/dbraw/zinc/40/13/83/943401383.db2.gz HDCKUIUTJFYYOL-WMZOPIPTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484446109 943401386 /nfs/dbraw/zinc/40/13/86/943401386.db2.gz HDCKUIUTJFYYOL-WMZOPIPTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484852265 943597502 /nfs/dbraw/zinc/59/75/02/943597502.db2.gz VDHGVCSSQWNCJL-YOEHRIQHSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484852265 943597508 /nfs/dbraw/zinc/59/75/08/943597508.db2.gz VDHGVCSSQWNCJL-YOEHRIQHSA-N 2 2 318.421 0.555 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001484872541 943608783 /nfs/dbraw/zinc/60/87/83/943608783.db2.gz JMDNMHBUXGVZQM-UHFFFAOYSA-N 2 2 318.421 0.942 20 30 DCEDLP C=CCCC[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001485424876 943927748 /nfs/dbraw/zinc/92/77/48/943927748.db2.gz XQQHUESGFHSPKK-UHFFFAOYSA-N 2 2 306.410 0.711 20 30 DCEDLP C=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001485648231 944051906 /nfs/dbraw/zinc/05/19/06/944051906.db2.gz GZTZGSGZKRKTRC-ZFWWWQNUSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001276549251 944206405 /nfs/dbraw/zinc/20/64/05/944206405.db2.gz RJPLRKZIKOWLFO-KRWDZBQOSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001276549251 944206409 /nfs/dbraw/zinc/20/64/09/944206409.db2.gz RJPLRKZIKOWLFO-KRWDZBQOSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317018519 944742138 /nfs/dbraw/zinc/74/21/38/944742138.db2.gz JSSQDXOXSSFWJR-HOCLYGCPSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319485908 945599418 /nfs/dbraw/zinc/59/94/18/945599418.db2.gz JOQPFFSSFDISLP-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001319935839 945698422 /nfs/dbraw/zinc/69/84/22/945698422.db2.gz LZTRNSNIIHFSLS-IAGOWNOFSA-N 2 2 321.465 0.993 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001319935839 945698433 /nfs/dbraw/zinc/69/84/33/945698433.db2.gz LZTRNSNIIHFSLS-IAGOWNOFSA-N 2 2 321.465 0.993 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320233505 945778430 /nfs/dbraw/zinc/77/84/30/945778430.db2.gz RCXVMCHVBTWONX-AWEZNQCLSA-N 2 2 306.410 0.405 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001320237759 945783271 /nfs/dbraw/zinc/78/32/71/945783271.db2.gz KUNZGLBFRSVKFG-CABCVRRESA-N 2 2 306.410 0.560 20 30 DCEDLP C=C[C@](C)(O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001252543905 945958649 /nfs/dbraw/zinc/95/86/49/945958649.db2.gz VBZAFDNQUAXQJN-INIZCTEOSA-N 2 2 321.425 0.248 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322307913 946646247 /nfs/dbraw/zinc/64/62/47/946646247.db2.gz SPXPGDSFUPEMKM-QWHCGFSZSA-N 2 2 307.398 0.010 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322307913 946646252 /nfs/dbraw/zinc/64/62/52/946646252.db2.gz SPXPGDSFUPEMKM-QWHCGFSZSA-N 2 2 307.398 0.010 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001279029436 946750726 /nfs/dbraw/zinc/75/07/26/946750726.db2.gz CYSJYUZTMFJATR-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001322854917 946836970 /nfs/dbraw/zinc/83/69/70/946836970.db2.gz VOEFFZUBQBQERU-AWEZNQCLSA-N 2 2 319.409 0.108 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001273374574 946906730 /nfs/dbraw/zinc/90/67/30/946906730.db2.gz LRLCLBWRKLYNFP-MRXNPFEDSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)CC1CC1 ZINC001324382155 947411075 /nfs/dbraw/zinc/41/10/75/947411075.db2.gz BYQGGIYUZDLQQR-KRWDZBQOSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)CC1CC1 ZINC001324382155 947411086 /nfs/dbraw/zinc/41/10/86/947411086.db2.gz BYQGGIYUZDLQQR-KRWDZBQOSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC1CC1 ZINC001324382155 947411097 /nfs/dbraw/zinc/41/10/97/947411097.db2.gz BYQGGIYUZDLQQR-KRWDZBQOSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC1CC1 ZINC001324382155 947411103 /nfs/dbraw/zinc/41/11/03/947411103.db2.gz BYQGGIYUZDLQQR-KRWDZBQOSA-N 2 2 321.465 0.805 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CCCO)CC1 ZINC001324438926 947426416 /nfs/dbraw/zinc/42/64/16/947426416.db2.gz BSGXVQNGSLOBQM-UHFFFAOYSA-N 2 2 318.421 0.569 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617466 947877115 /nfs/dbraw/zinc/87/71/15/947877115.db2.gz HIZJCOJRVUHZKU-DYEKYZERSA-N 2 2 319.409 0.222 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001326326479 948131832 /nfs/dbraw/zinc/13/18/32/948131832.db2.gz RGLBJGYNTFTNMB-MRXNPFEDSA-N 2 2 318.421 0.751 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001327034189 948373073 /nfs/dbraw/zinc/37/30/73/948373073.db2.gz JRJSQPCTCOGAQF-DZGCQCFKSA-N 2 2 304.394 0.429 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001327034189 948373078 /nfs/dbraw/zinc/37/30/78/948373078.db2.gz JRJSQPCTCOGAQF-DZGCQCFKSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001327602600 948567006 /nfs/dbraw/zinc/56/70/06/948567006.db2.gz GPIQJFNHFLIMCK-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273886425 948656235 /nfs/dbraw/zinc/65/62/35/948656235.db2.gz YKSGBXHMBTZIJR-GDBMZVCRSA-N 2 2 304.394 0.391 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273886425 948656242 /nfs/dbraw/zinc/65/62/42/948656242.db2.gz YKSGBXHMBTZIJR-GDBMZVCRSA-N 2 2 304.394 0.391 20 30 DCEDLP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001273929237 948685375 /nfs/dbraw/zinc/68/53/75/948685375.db2.gz IRWUEFLKTRIZKY-MRXNPFEDSA-N 2 2 306.410 0.780 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264181029 948919581 /nfs/dbraw/zinc/91/95/81/948919581.db2.gz ZCCMQRLXZZLZHL-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264181029 948919592 /nfs/dbraw/zinc/91/95/92/948919592.db2.gz ZCCMQRLXZZLZHL-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264181029 948919597 /nfs/dbraw/zinc/91/95/97/948919597.db2.gz ZCCMQRLXZZLZHL-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264181029 948919606 /nfs/dbraw/zinc/91/96/06/948919606.db2.gz ZCCMQRLXZZLZHL-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001264364857 948933993 /nfs/dbraw/zinc/93/39/93/948933993.db2.gz LQVSZFBNNAAMLZ-HNNXBMFYSA-N 2 2 306.410 0.927 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001264364857 948934007 /nfs/dbraw/zinc/93/40/07/948934007.db2.gz LQVSZFBNNAAMLZ-HNNXBMFYSA-N 2 2 306.410 0.927 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001264534822 948997275 /nfs/dbraw/zinc/99/72/75/948997275.db2.gz JAKMJNSWUCOETG-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001488688841 949065425 /nfs/dbraw/zinc/06/54/25/949065425.db2.gz YKXXWHAUYXXBKS-CQSZACIVSA-N 2 2 306.410 0.996 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001488688841 949065443 /nfs/dbraw/zinc/06/54/43/949065443.db2.gz YKXXWHAUYXXBKS-CQSZACIVSA-N 2 2 306.410 0.996 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001265660370 949862861 /nfs/dbraw/zinc/86/28/61/949862861.db2.gz VCZLLRIVMMZYIB-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001265660370 949862880 /nfs/dbraw/zinc/86/28/80/949862880.db2.gz VCZLLRIVMMZYIB-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266152108 950424161 /nfs/dbraw/zinc/42/41/61/950424161.db2.gz KOUPRQUSWQMPJV-MGPQQGTHSA-N 2 2 304.394 0.647 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266152108 950424174 /nfs/dbraw/zinc/42/41/74/950424174.db2.gz KOUPRQUSWQMPJV-MGPQQGTHSA-N 2 2 304.394 0.647 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001280969986 951193579 /nfs/dbraw/zinc/19/35/79/951193579.db2.gz WHCZAXVJTCRNRP-HUUCEWRRSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001274566047 951703917 /nfs/dbraw/zinc/70/39/17/951703917.db2.gz PNSRUUDGKSITDZ-HNNXBMFYSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001274566499 951704411 /nfs/dbraw/zinc/70/44/11/951704411.db2.gz STUHDPFSLHTRFH-OAHLLOKOSA-N 2 2 318.421 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/nfs/dbraw/zinc/00/07/94/527000794.db2.gz NBBGYGQRWUVNSP-UHFFFAOYSA-N 2 2 315.421 0.663 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000378158490 527000798 /nfs/dbraw/zinc/00/07/98/527000798.db2.gz NBBGYGQRWUVNSP-UHFFFAOYSA-N 2 2 315.421 0.663 20 30 DCEDLP CC(C)(CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329300136 546046684 /nfs/dbraw/zinc/04/66/84/546046684.db2.gz MINWREDRSCTIPT-CYBMUJFWSA-N 2 2 310.442 0.838 20 30 DCEDLP CC(C)(CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000329300136 546046687 /nfs/dbraw/zinc/04/66/87/546046687.db2.gz MINWREDRSCTIPT-CYBMUJFWSA-N 2 2 310.442 0.838 20 30 DCEDLP C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785928 548734540 /nfs/dbraw/zinc/73/45/40/548734540.db2.gz LHADWGCVTYNZKT-NVXWUHKLSA-N 2 2 309.454 0.940 20 30 DCEDLP C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785928 548734542 /nfs/dbraw/zinc/73/45/42/548734542.db2.gz LHADWGCVTYNZKT-NVXWUHKLSA-N 2 2 309.454 0.940 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC001665549662 1174531686 /nfs/dbraw/zinc/53/16/86/1174531686.db2.gz KVBJZLNLYLNHOO-OAGGEKHMSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC[C@@H](C)O)C1 ZINC001665549662 1174531689 /nfs/dbraw/zinc/53/16/89/1174531689.db2.gz KVBJZLNLYLNHOO-OAGGEKHMSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978407887 660534284 /nfs/dbraw/zinc/53/42/84/660534284.db2.gz HNXFDGNCQCXTSP-ZSOGYDGISA-N 2 2 302.378 0.277 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978407887 660534286 /nfs/dbraw/zinc/53/42/86/660534286.db2.gz HNXFDGNCQCXTSP-ZSOGYDGISA-N 2 2 302.378 0.277 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001022220469 657566073 /nfs/dbraw/zinc/56/60/73/657566073.db2.gz FURABDSNUIVTIG-ZNMIVQPWSA-N 2 2 313.405 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001022220469 657566080 /nfs/dbraw/zinc/56/60/80/657566080.db2.gz FURABDSNUIVTIG-ZNMIVQPWSA-N 2 2 313.405 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC001022220474 657566121 /nfs/dbraw/zinc/56/61/21/657566121.db2.gz FXRAADQEHJRVNR-LZWOXQAQSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2coc(C)n2)C1 ZINC001022220474 657566125 /nfs/dbraw/zinc/56/61/25/657566125.db2.gz FXRAADQEHJRVNR-LZWOXQAQSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023448910 657874683 /nfs/dbraw/zinc/87/46/83/657874683.db2.gz BEIZIOPLGNONCS-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000949472448 658291986 /nfs/dbraw/zinc/29/19/86/658291986.db2.gz FYFJILFAHRSQES-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000949472448 658291992 /nfs/dbraw/zinc/29/19/92/658291992.db2.gz FYFJILFAHRSQES-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000949472448 658291995 /nfs/dbraw/zinc/29/19/95/658291995.db2.gz FYFJILFAHRSQES-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295199 658533876 /nfs/dbraw/zinc/53/38/76/658533876.db2.gz ROLJHNMRZNUSQC-WBVHZDCISA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972295199 658533878 /nfs/dbraw/zinc/53/38/78/658533878.db2.gz ROLJHNMRZNUSQC-WBVHZDCISA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295199 658533884 /nfs/dbraw/zinc/53/38/84/658533884.db2.gz ROLJHNMRZNUSQC-WBVHZDCISA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000972295199 658533887 /nfs/dbraw/zinc/53/38/87/658533887.db2.gz ROLJHNMRZNUSQC-WBVHZDCISA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCOC ZINC001024488491 658656722 /nfs/dbraw/zinc/65/67/22/658656722.db2.gz ZJHZOGSHCBVCON-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCOC ZINC001024488491 658656725 /nfs/dbraw/zinc/65/67/25/658656725.db2.gz ZJHZOGSHCBVCON-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCOC ZINC001024488491 658656727 /nfs/dbraw/zinc/65/67/27/658656727.db2.gz ZJHZOGSHCBVCON-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCOC ZINC001024488491 658656730 /nfs/dbraw/zinc/65/67/30/658656730.db2.gz ZJHZOGSHCBVCON-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999798878 665684922 /nfs/dbraw/zinc/68/49/22/665684922.db2.gz KJMKYGMTJJVPNZ-DLBZAZTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999798878 665684923 /nfs/dbraw/zinc/68/49/23/665684923.db2.gz KJMKYGMTJJVPNZ-DLBZAZTESA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977617745 659793189 /nfs/dbraw/zinc/79/31/89/659793189.db2.gz QFYWJRSMWAZUSK-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977617745 659793192 /nfs/dbraw/zinc/79/31/92/659793192.db2.gz QFYWJRSMWAZUSK-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977617745 659793195 /nfs/dbraw/zinc/79/31/95/659793195.db2.gz QFYWJRSMWAZUSK-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977617745 659793199 /nfs/dbraw/zinc/79/31/99/659793199.db2.gz QFYWJRSMWAZUSK-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCC[NH+]1CCC(NC(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900798526 663281286 /nfs/dbraw/zinc/28/12/86/663281286.db2.gz OOXRWHNSMYXMML-PEZBUJJGSA-N 2 2 319.449 0.869 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903506528 663458029 /nfs/dbraw/zinc/45/80/29/663458029.db2.gz AJTKOJBBUCLMBJ-IXDOHACOSA-N 2 2 318.465 0.674 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903506528 663458031 /nfs/dbraw/zinc/45/80/31/663458031.db2.gz AJTKOJBBUCLMBJ-IXDOHACOSA-N 2 2 318.465 0.674 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCOCCOC)CC1 ZINC000911922673 664122068 /nfs/dbraw/zinc/12/20/68/664122068.db2.gz UEOMLZPTOSTQKH-UHFFFAOYSA-N 2 2 313.442 0.302 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000941512450 666012716 /nfs/dbraw/zinc/01/27/16/666012716.db2.gz IGZLXZPJJLWDRX-UHFFFAOYSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941638498 666033554 /nfs/dbraw/zinc/03/35/54/666033554.db2.gz FZQABZFWOOFVDI-MRXNPFEDSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941638498 666033556 /nfs/dbraw/zinc/03/35/56/666033556.db2.gz FZQABZFWOOFVDI-MRXNPFEDSA-N 2 2 318.465 0.180 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668022 666041257 /nfs/dbraw/zinc/04/12/57/666041257.db2.gz BUWIBMPLTOGKKH-UHFFFAOYSA-N 2 2 303.410 0.206 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001001539831 666070023 /nfs/dbraw/zinc/07/00/23/666070023.db2.gz UMHXNGZKUSTIRD-OAHLLOKOSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000884189765 667494369 /nfs/dbraw/zinc/49/43/69/667494369.db2.gz MJUVHEUTNQNAKT-AWEZNQCLSA-N 2 2 311.426 0.814 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000884189765 667494371 /nfs/dbraw/zinc/49/43/71/667494371.db2.gz MJUVHEUTNQNAKT-AWEZNQCLSA-N 2 2 311.426 0.814 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000884204590 667497631 /nfs/dbraw/zinc/49/76/31/667497631.db2.gz ZACDBNVBMIPJKN-KBPBESRZSA-N 2 2 311.426 0.670 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000884204590 667497633 /nfs/dbraw/zinc/49/76/33/667497633.db2.gz ZACDBNVBMIPJKN-KBPBESRZSA-N 2 2 311.426 0.670 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885951884 667721907 /nfs/dbraw/zinc/72/19/07/667721907.db2.gz QTQAGBQPIMLTFZ-CQSZACIVSA-N 2 2 308.426 0.137 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCOC[C@H]2CC)C1 ZINC000890361446 668118783 /nfs/dbraw/zinc/11/87/83/668118783.db2.gz RGDWQQPUOJCHEO-HZPDHXFCSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2CC)C1 ZINC000890361446 668118785 /nfs/dbraw/zinc/11/87/85/668118785.db2.gz RGDWQQPUOJCHEO-HZPDHXFCSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000890361446 668118787 /nfs/dbraw/zinc/11/87/87/668118787.db2.gz RGDWQQPUOJCHEO-HZPDHXFCSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOC[C@H]2CC)C1 ZINC000890361446 668118789 /nfs/dbraw/zinc/11/87/89/668118789.db2.gz RGDWQQPUOJCHEO-HZPDHXFCSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000890370513 668123993 /nfs/dbraw/zinc/12/39/93/668123993.db2.gz AHYPQLBYYUMMDM-HNNXBMFYSA-N 2 2 304.438 0.964 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000890370513 668123997 /nfs/dbraw/zinc/12/39/97/668123997.db2.gz AHYPQLBYYUMMDM-HNNXBMFYSA-N 2 2 304.438 0.964 20 30 DCEDLP C#CC[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000927414928 668465854 /nfs/dbraw/zinc/46/58/54/668465854.db2.gz PVVOZRKFPOWNFX-HNNXBMFYSA-N 2 2 318.421 0.489 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000771655517 668747677 /nfs/dbraw/zinc/74/76/77/668747677.db2.gz ASBXGZZDXZWLNS-CVEARBPZSA-N 2 2 306.454 0.226 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000771655517 668747682 /nfs/dbraw/zinc/74/76/82/668747682.db2.gz ASBXGZZDXZWLNS-CVEARBPZSA-N 2 2 306.454 0.226 20 30 DCEDLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc(C#N)c1 ZINC000879433592 669034874 /nfs/dbraw/zinc/03/48/74/669034874.db2.gz XVZBDTKWVLQGLL-KRWDZBQOSA-N 2 2 305.422 0.972 20 30 DCEDLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc(C#N)c1 ZINC000879433592 669034880 /nfs/dbraw/zinc/03/48/80/669034880.db2.gz XVZBDTKWVLQGLL-KRWDZBQOSA-N 2 2 305.422 0.972 20 30 DCEDLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433592 669034886 /nfs/dbraw/zinc/03/48/86/669034886.db2.gz XVZBDTKWVLQGLL-KRWDZBQOSA-N 2 2 305.422 0.972 20 30 DCEDLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433592 669034892 /nfs/dbraw/zinc/03/48/92/669034892.db2.gz XVZBDTKWVLQGLL-KRWDZBQOSA-N 2 2 305.422 0.972 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000781859411 669066168 /nfs/dbraw/zinc/06/61/68/669066168.db2.gz FJKGICQVGUVHDF-GJZGRUSLSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000781859411 669066174 /nfs/dbraw/zinc/06/61/74/669066174.db2.gz FJKGICQVGUVHDF-GJZGRUSLSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000781859411 669066178 /nfs/dbraw/zinc/06/61/78/669066178.db2.gz FJKGICQVGUVHDF-GJZGRUSLSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000781859411 669066181 /nfs/dbraw/zinc/06/61/81/669066181.db2.gz FJKGICQVGUVHDF-GJZGRUSLSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949471259 670349678 /nfs/dbraw/zinc/34/96/78/670349678.db2.gz VLJCDQOZVYVRCV-CVEARBPZSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949471259 670349680 /nfs/dbraw/zinc/34/96/80/670349680.db2.gz VLJCDQOZVYVRCV-CVEARBPZSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 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CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304715489 685210353 /nfs/dbraw/zinc/21/03/53/685210353.db2.gz NCJLGIYRBDKBFN-LLVKDONJSA-N 2 2 304.460 0.198 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000968952977 690433414 /nfs/dbraw/zinc/43/34/14/690433414.db2.gz XNZVKRWJYYNYKN-CABCVRRESA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC000968952977 690433417 /nfs/dbraw/zinc/43/34/17/690433417.db2.gz XNZVKRWJYYNYKN-CABCVRRESA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000968954186 690433990 /nfs/dbraw/zinc/43/39/90/690433990.db2.gz BWMYYDPBGMXXFJ-CVEARBPZSA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000968954186 690433994 /nfs/dbraw/zinc/43/39/94/690433994.db2.gz BWMYYDPBGMXXFJ-CVEARBPZSA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@@H](C)O 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C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018281090 693077782 /nfs/dbraw/zinc/07/77/82/693077782.db2.gz VQIZIOHOLOVIEX-HRCADAONSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859112 694793402 /nfs/dbraw/zinc/79/34/02/694793402.db2.gz ANDABMKSDXQNON-AWEZNQCLSA-N 2 2 316.405 0.602 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859112 694793403 /nfs/dbraw/zinc/79/34/03/694793403.db2.gz ANDABMKSDXQNON-AWEZNQCLSA-N 2 2 316.405 0.602 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@@H]3C2)CC1 ZINC001074414641 694891779 /nfs/dbraw/zinc/89/17/79/694891779.db2.gz CALVYWHQBFEMJT-IAGOWNOFSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@H+](CC)[C@@H]3C2)CC1 ZINC001074414641 694891782 /nfs/dbraw/zinc/89/17/82/694891782.db2.gz CALVYWHQBFEMJT-IAGOWNOFSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3OCC[N@@H+](CC)[C@H]3C2)CC1 ZINC001074414640 694891963 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COCC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001571504668 1162787047 /nfs/dbraw/zinc/78/70/47/1162787047.db2.gz HIVIKWMBDJRKLD-DOTOQJQBSA-N 2 2 316.405 0.646 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001571602881 1162850179 /nfs/dbraw/zinc/85/01/79/1162850179.db2.gz OVHKEQUORYUIHT-LBPRGKRZSA-N 2 2 310.398 0.287 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001571602881 1162850186 /nfs/dbraw/zinc/85/01/86/1162850186.db2.gz OVHKEQUORYUIHT-LBPRGKRZSA-N 2 2 310.398 0.287 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001565819482 1159894050 /nfs/dbraw/zinc/89/40/50/1159894050.db2.gz HJPCEBARWGKUSR-HNNXBMFYSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001565819482 1159894067 /nfs/dbraw/zinc/89/40/67/1159894067.db2.gz HJPCEBARWGKUSR-HNNXBMFYSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001565866210 1159916048 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322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001713454544 1180835254 /nfs/dbraw/zinc/83/52/54/1180835254.db2.gz PWJIUONVKXOIQJ-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001713562458 1180925093 /nfs/dbraw/zinc/92/50/93/1180925093.db2.gz ZKFAOVURJOFMBB-CQSZACIVSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001713562458 1180925099 /nfs/dbraw/zinc/92/50/99/1180925099.db2.gz ZKFAOVURJOFMBB-CQSZACIVSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1conc1C ZINC001714244313 1181292951 /nfs/dbraw/zinc/29/29/51/1181292951.db2.gz RYIAVYXFPGFDCD-DOMZBBRYSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1conc1C ZINC001714244313 1181292955 /nfs/dbraw/zinc/29/29/55/1181292955.db2.gz RYIAVYXFPGFDCD-DOMZBBRYSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O 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C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716970401 1182606736 /nfs/dbraw/zinc/60/67/36/1182606736.db2.gz WQRQFNPDDBUIET-KGLIPLIRSA-N 2 2 306.410 0.981 20 30 DCEDLP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001717458980 1182839470 /nfs/dbraw/zinc/83/94/70/1182839470.db2.gz LVNQSDMESMIZNE-UHFFFAOYSA-N 2 2 306.410 0.676 20 30 DCEDLP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717939898 1183077917 /nfs/dbraw/zinc/07/79/17/1183077917.db2.gz PZWSXESWEZFIRX-AWEZNQCLSA-N 2 2 308.426 0.864 20 30 DCEDLP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001717939898 1183077925 /nfs/dbraw/zinc/07/79/25/1183077925.db2.gz PZWSXESWEZFIRX-AWEZNQCLSA-N 2 2 308.426 0.864 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001724551240 1184462307 /nfs/dbraw/zinc/46/23/07/1184462307.db2.gz ADTKEWSECSASKN-GJZGRUSLSA-N 2 2 318.421 0.439 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001731523367 1185372956 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318.421 0.833 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](CC#C)CC1 ZINC001733374828 1186246341 /nfs/dbraw/zinc/24/63/41/1186246341.db2.gz BRSXDLBIMPKYNP-QGZVFWFLSA-N 2 2 317.433 0.267 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CC#C)CC1 ZINC001733374828 1186246348 /nfs/dbraw/zinc/24/63/48/1186246348.db2.gz BRSXDLBIMPKYNP-QGZVFWFLSA-N 2 2 317.433 0.267 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001733856765 1186477921 /nfs/dbraw/zinc/47/79/21/1186477921.db2.gz FNXOZYNKTBQBOS-DOMZBBRYSA-N 2 2 306.410 0.900 20 30 DCEDLP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001734128360 1186555984 /nfs/dbraw/zinc/55/59/84/1186555984.db2.gz LVMMXIHDUMFFLA-CYBMUJFWSA-N 2 2 306.410 0.602 20 30 DCEDLP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001734212648 1186580576 /nfs/dbraw/zinc/58/05/76/1186580576.db2.gz GFBYEHBYDGFHMT-ZOBUZTSGSA-N 2 2 319.449 0.747 20 30 DCEDLP 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C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCC[C@@H](C)O)C2)CC1 ZINC001481604249 939965982 /nfs/dbraw/zinc/96/59/82/939965982.db2.gz CIXXKGNWPPRHPB-CQSZACIVSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nocc1C ZINC001268690712 940332320 /nfs/dbraw/zinc/33/23/20/940332320.db2.gz UGLKAMJLPIFOQB-ZFWWWQNUSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nocc1C ZINC001268690712 940332323 /nfs/dbraw/zinc/33/23/23/940332323.db2.gz UGLKAMJLPIFOQB-ZFWWWQNUSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228592 941328830 /nfs/dbraw/zinc/32/88/30/941328830.db2.gz NITUXNIASZFOCZ-HOCLYGCPSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001271228592 941328832 /nfs/dbraw/zinc/32/88/32/941328832.db2.gz NITUXNIASZFOCZ-HOCLYGCPSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001271988238 941501442 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C=CCN1CC[C@H]([NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001483495260 942385835 /nfs/dbraw/zinc/38/58/35/942385835.db2.gz UXJSEFFGNLAQBC-AWEZNQCLSA-N 2 2 319.409 0.177 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484226365 943221373 /nfs/dbraw/zinc/22/13/73/943221373.db2.gz YSLABYIJKQGOKR-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484226365 943221376 /nfs/dbraw/zinc/22/13/76/943221376.db2.gz YSLABYIJKQGOKR-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001484681445 943503150 /nfs/dbraw/zinc/50/31/50/943503150.db2.gz XEJPXQHPPKDJSD-GOEBONIOSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001484805666 943583240 /nfs/dbraw/zinc/58/32/40/943583240.db2.gz UHLBZFLVPGEFTI-CABCVRRESA-N 2 2 323.437 0.100 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)CO2 ZINC001484805666 943583243 /nfs/dbraw/zinc/58/32/43/943583243.db2.gz UHLBZFLVPGEFTI-CABCVRRESA-N 2 2 323.437 0.100 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484852261 943597015 /nfs/dbraw/zinc/59/70/15/943597015.db2.gz VDHGVCSSQWNCJL-PBHICJAKSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484852261 943597017 /nfs/dbraw/zinc/59/70/17/943597017.db2.gz VDHGVCSSQWNCJL-PBHICJAKSA-N 2 2 318.421 0.555 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485559226 943992788 /nfs/dbraw/zinc/99/27/88/943992788.db2.gz WICSINZSXOIYHS-QGZVFWFLSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001485559226 943992791 /nfs/dbraw/zinc/99/27/91/943992791.db2.gz WICSINZSXOIYHS-QGZVFWFLSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001485559226 943992794 /nfs/dbraw/zinc/99/27/94/943992794.db2.gz WICSINZSXOIYHS-QGZVFWFLSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001485559226 943992796 /nfs/dbraw/zinc/99/27/96/943992796.db2.gz WICSINZSXOIYHS-QGZVFWFLSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001485587373 944029754 /nfs/dbraw/zinc/02/97/54/944029754.db2.gz UVPHYCFJBWVJLU-CQSZACIVSA-N 2 2 304.394 0.360 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001485587373 944029763 /nfs/dbraw/zinc/02/97/63/944029763.db2.gz UVPHYCFJBWVJLU-CQSZACIVSA-N 2 2 304.394 0.360 20 30 DCEDLP C=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001485648228 944052307 /nfs/dbraw/zinc/05/23/07/944052307.db2.gz GZTZGSGZKRKTRC-DZGCQCFKSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210329337 944261789 /nfs/dbraw/zinc/26/17/89/944261789.db2.gz URKRAMKAWPPTTK-STQMWFEESA-N 2 2 319.409 0.224 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001486009800 944495587 /nfs/dbraw/zinc/49/55/87/944495587.db2.gz CQZPGSIONIYPSV-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001486009801 944496070 /nfs/dbraw/zinc/49/60/70/944496070.db2.gz CQZPGSIONIYPSV-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317118805 944807400 /nfs/dbraw/zinc/80/74/00/944807400.db2.gz XTCVPVOONPIUIV-MCIONIFRSA-N 2 2 319.409 0.201 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nncs2)CC1 ZINC001317293739 944902090 /nfs/dbraw/zinc/90/20/90/944902090.db2.gz HZTISJUTQRMGPW-GFCCVEGCSA-N 2 2 321.450 0.478 20 30 DCEDLP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#CCOC ZINC001318583475 945406045 /nfs/dbraw/zinc/40/60/45/945406045.db2.gz WMDHPCGUSZUEFL-KGLIPLIRSA-N 2 2 306.410 0.723 20 30 DCEDLP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC#CCOC ZINC001318583475 945406050 /nfs/dbraw/zinc/40/60/50/945406050.db2.gz WMDHPCGUSZUEFL-KGLIPLIRSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319321100 945560257 /nfs/dbraw/zinc/56/02/57/945560257.db2.gz AMNLIPLHIWUONM-HNNXBMFYSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001319321100 945560264 /nfs/dbraw/zinc/56/02/64/945560264.db2.gz AMNLIPLHIWUONM-HNNXBMFYSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321100 945560270 /nfs/dbraw/zinc/56/02/70/945560270.db2.gz AMNLIPLHIWUONM-HNNXBMFYSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001319321100 945560276 /nfs/dbraw/zinc/56/02/76/945560276.db2.gz AMNLIPLHIWUONM-HNNXBMFYSA-N 2 2 309.454 0.805 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)O2 ZINC001280938020 945670586 /nfs/dbraw/zinc/67/05/86/945670586.db2.gz ZAYXGELZVLZRPZ-OAHLLOKOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)C(C)C)O2 ZINC001280938020 945670590 /nfs/dbraw/zinc/67/05/90/945670590.db2.gz ZAYXGELZVLZRPZ-OAHLLOKOSA-N 2 2 307.438 0.700 20 30 DCEDLP Cn1c[nH+]cc1C1CCN(C(=O)NCC#CC[NH+](C)C)CC1 ZINC001251712071 945776599 /nfs/dbraw/zinc/77/65/99/945776599.db2.gz VRTZFWLPXDEUJJ-UHFFFAOYSA-N 2 2 303.410 0.874 20 30 DCEDLP C=C[C@@](C)(O)C[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001252551006 945959854 /nfs/dbraw/zinc/95/98/54/945959854.db2.gz ROSVTGSMDPJFQR-SJORKVTESA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@@](C)(O)C[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001252551006 945959863 /nfs/dbraw/zinc/95/98/63/945959863.db2.gz ROSVTGSMDPJFQR-SJORKVTESA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@@](C)(O)C[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001252551006 945959874 /nfs/dbraw/zinc/95/98/74/945959874.db2.gz ROSVTGSMDPJFQR-SJORKVTESA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@@](C)(O)C[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001252551006 945959881 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306.410 0.774 20 30 DCEDLP CN(C)C(=[NH+]C[C@@]1([NH+]2CCOCC2)CCSC1)N(C)C ZINC000261990908 238169850 /nfs/dbraw/zinc/16/98/50/238169850.db2.gz LXQMCCOBAOZHKM-AWEZNQCLSA-N 2 2 300.472 0.674 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccnc2)CC1 ZINC000093226942 395737352 /nfs/dbraw/zinc/73/73/52/395737352.db2.gz HAHVQQUHYNVLRM-OAHLLOKOSA-N 2 2 300.406 0.852 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccnc2)CC1 ZINC000093226942 395737353 /nfs/dbraw/zinc/73/73/53/395737353.db2.gz HAHVQQUHYNVLRM-OAHLLOKOSA-N 2 2 300.406 0.852 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506897 396619617 /nfs/dbraw/zinc/61/96/17/396619617.db2.gz IKNUQLFHKZZPTJ-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506897 396619621 /nfs/dbraw/zinc/61/96/21/396619621.db2.gz IKNUQLFHKZZPTJ-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506897 396619625 /nfs/dbraw/zinc/61/96/25/396619625.db2.gz IKNUQLFHKZZPTJ-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506897 396619628 /nfs/dbraw/zinc/61/96/28/396619628.db2.gz IKNUQLFHKZZPTJ-BBRMVZONSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000596049013 396712086 /nfs/dbraw/zinc/71/20/86/396712086.db2.gz XRXFBKYBDZTVRM-GXTWGEPZSA-N 2 2 324.425 0.230 20 30 DCEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625099619 396771090 /nfs/dbraw/zinc/77/10/90/396771090.db2.gz SFRDWCILNHDCKA-OKILXGFUSA-N 2 2 309.369 0.437 20 30 DCEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000625099619 396771097 /nfs/dbraw/zinc/77/10/97/396771097.db2.gz SFRDWCILNHDCKA-OKILXGFUSA-N 2 2 309.369 0.437 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000601317425 397053332 /nfs/dbraw/zinc/05/33/32/397053332.db2.gz LFOCSXKSZAULJV-HNNXBMFYSA-N 2 2 309.458 0.182 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000601317425 397053336 /nfs/dbraw/zinc/05/33/36/397053336.db2.gz LFOCSXKSZAULJV-HNNXBMFYSA-N 2 2 309.458 0.182 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000390092539 397300249 /nfs/dbraw/zinc/30/02/49/397300249.db2.gz FJWRVOYCQWPAIO-CVEARBPZSA-N 2 2 318.421 0.133 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000390092539 397300252 /nfs/dbraw/zinc/30/02/52/397300252.db2.gz FJWRVOYCQWPAIO-CVEARBPZSA-N 2 2 318.421 0.133 20 30 DCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000390092540 397300382 /nfs/dbraw/zinc/30/03/82/397300382.db2.gz FJWRVOYCQWPAIO-HOTGVXAUSA-N 2 2 318.421 0.133 20 30 DCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000390092540 397300388 /nfs/dbraw/zinc/30/03/88/397300388.db2.gz FJWRVOYCQWPAIO-HOTGVXAUSA-N 2 2 318.421 0.133 20 30 DCEDLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000603018499 397553606 /nfs/dbraw/zinc/55/36/06/397553606.db2.gz SHQZTYPYZYQIAI-UHFFFAOYSA-N 2 2 321.469 0.507 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609672895 397789611 /nfs/dbraw/zinc/78/96/11/397789611.db2.gz XFVKBLQDSFAXPU-CVEARBPZSA-N 2 2 321.469 0.459 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609672895 397789613 /nfs/dbraw/zinc/78/96/13/397789613.db2.gz XFVKBLQDSFAXPU-CVEARBPZSA-N 2 2 321.469 0.459 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129430073 415906936 /nfs/dbraw/zinc/90/69/36/415906936.db2.gz CLLNTKVVPSSRIF-INIZCTEOSA-N 2 2 307.438 0.841 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129430073 415906938 /nfs/dbraw/zinc/90/69/38/415906938.db2.gz CLLNTKVVPSSRIF-INIZCTEOSA-N 2 2 307.438 0.841 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129592415 415910627 /nfs/dbraw/zinc/91/06/27/415910627.db2.gz CKWUSNHKAQUQQW-HUUCEWRRSA-N 2 2 308.426 0.401 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129592415 415910632 /nfs/dbraw/zinc/91/06/32/415910632.db2.gz CKWUSNHKAQUQQW-HUUCEWRRSA-N 2 2 308.426 0.401 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)C1=O ZINC000337141256 415916160 /nfs/dbraw/zinc/91/61/60/415916160.db2.gz RXQWRBNCVFJGTQ-OAHLLOKOSA-N 2 2 322.453 0.259 20 30 DCEDLP CC[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329698941 416185480 /nfs/dbraw/zinc/18/54/80/416185480.db2.gz CXDZTWNIMXNPSM-STQMWFEESA-N 2 2 321.425 0.570 20 30 DCEDLP CC[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329698941 416185486 /nfs/dbraw/zinc/18/54/86/416185486.db2.gz CXDZTWNIMXNPSM-STQMWFEESA-N 2 2 321.425 0.570 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247920216 416333154 /nfs/dbraw/zinc/33/31/54/416333154.db2.gz BBEODCWARAZHOJ-MJBXVCDLSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247920216 416333155 /nfs/dbraw/zinc/33/31/55/416333155.db2.gz BBEODCWARAZHOJ-MJBXVCDLSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247920216 416333156 /nfs/dbraw/zinc/33/31/56/416333156.db2.gz BBEODCWARAZHOJ-MJBXVCDLSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247920216 416333157 /nfs/dbraw/zinc/33/31/57/416333157.db2.gz BBEODCWARAZHOJ-MJBXVCDLSA-N 2 2 308.426 0.803 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360324295 416386203 /nfs/dbraw/zinc/38/62/03/416386203.db2.gz VLODJEXJRNTDJG-ZDUSSCGKSA-N 2 2 308.426 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360324295 416386204 /nfs/dbraw/zinc/38/62/04/416386204.db2.gz VLODJEXJRNTDJG-ZDUSSCGKSA-N 2 2 308.426 0.947 20 30 DCEDLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000361120562 416421968 /nfs/dbraw/zinc/42/19/68/416421968.db2.gz BSMZRQPJMFFSCF-UHFFFAOYSA-N 2 2 320.397 0.157 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491327547 416595518 /nfs/dbraw/zinc/59/55/18/416595518.db2.gz WIKZFGFKUZDVHP-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)CC1 ZINC000491327547 416595522 /nfs/dbraw/zinc/59/55/22/416595522.db2.gz WIKZFGFKUZDVHP-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(C(=O)OC)C2)CC1 ZINC000491475072 416601231 /nfs/dbraw/zinc/60/12/31/416601231.db2.gz SLPOPPCSASIIMB-KRWDZBQOSA-N 2 2 321.421 0.039 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)CC1 ZINC000491475072 416601234 /nfs/dbraw/zinc/60/12/34/416601234.db2.gz SLPOPPCSASIIMB-KRWDZBQOSA-N 2 2 321.421 0.039 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2cccc(O)c2)CC1 ZINC000490780830 416574433 /nfs/dbraw/zinc/57/44/33/416574433.db2.gz RZHQGFKTBPYQTJ-UHFFFAOYSA-N 2 2 301.390 0.601 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2cccc(O)c2)CC1 ZINC000490780830 416574435 /nfs/dbraw/zinc/57/44/35/416574435.db2.gz RZHQGFKTBPYQTJ-UHFFFAOYSA-N 2 2 301.390 0.601 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000490893597 416579149 /nfs/dbraw/zinc/57/91/49/416579149.db2.gz VSODVBLKMQAWNK-QGZVFWFLSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000490893597 416579155 /nfs/dbraw/zinc/57/91/55/416579155.db2.gz VSODVBLKMQAWNK-QGZVFWFLSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCCCC2)CC1 ZINC000490900723 416579320 /nfs/dbraw/zinc/57/93/20/416579320.db2.gz XMGITVQZVBEKIA-UHFFFAOYSA-N 2 2 307.438 0.391 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCCCC2)CC1 ZINC000490900723 416579324 /nfs/dbraw/zinc/57/93/24/416579324.db2.gz XMGITVQZVBEKIA-UHFFFAOYSA-N 2 2 307.438 0.391 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000491728883 416619799 /nfs/dbraw/zinc/61/97/99/416619799.db2.gz JHURWILZVHKWJH-CVEARBPZSA-N 2 2 305.422 0.122 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000491728883 416619803 /nfs/dbraw/zinc/61/98/03/416619803.db2.gz JHURWILZVHKWJH-CVEARBPZSA-N 2 2 305.422 0.122 20 30 DCEDLP C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372752 416764966 /nfs/dbraw/zinc/76/49/66/416764966.db2.gz LPFUUMHVDDZGQC-KGLIPLIRSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372752 416764972 /nfs/dbraw/zinc/76/49/72/416764972.db2.gz LPFUUMHVDDZGQC-KGLIPLIRSA-N 2 2 307.442 0.956 20 30 DCEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000576658682 417628298 /nfs/dbraw/zinc/62/82/98/417628298.db2.gz NJAFGJWABSMNGD-OAHLLOKOSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000576658682 417628302 /nfs/dbraw/zinc/62/83/02/417628302.db2.gz NJAFGJWABSMNGD-OAHLLOKOSA-N 2 2 322.453 0.934 20 30 DCEDLP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3cnn(C)c3)CC2)CCC[NH2+]1 ZINC000662758154 417894990 /nfs/dbraw/zinc/89/49/90/417894990.db2.gz PLRTVELFRLCVFA-KRWDZBQOSA-N 2 2 317.437 0.763 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000491375108 277687464 /nfs/dbraw/zinc/68/74/64/277687464.db2.gz UMWPHLQRWQSYDW-HNNXBMFYSA-N 2 2 307.438 0.511 20 30 DCEDLP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000552333754 288272979 /nfs/dbraw/zinc/27/29/79/288272979.db2.gz NVRMZKMBKXDPMP-UHFFFAOYSA-N 2 2 311.393 0.799 20 30 DCEDLP CC1(C)C[N@H+](CC[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330199648 336123500 /nfs/dbraw/zinc/12/35/00/336123500.db2.gz VRVDGHNMDZJUJD-CYBMUJFWSA-N 2 2 321.425 0.812 20 30 DCEDLP CC1(C)C[N@@H+](CC[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330199648 336123501 /nfs/dbraw/zinc/12/35/01/336123501.db2.gz VRVDGHNMDZJUJD-CYBMUJFWSA-N 2 2 321.425 0.812 20 30 DCEDLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563958290 336388361 /nfs/dbraw/zinc/38/83/61/336388361.db2.gz PMWRBLXWNFPMRQ-HUUCEWRRSA-N 2 2 307.394 0.004 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000490671434 339837201 /nfs/dbraw/zinc/83/72/01/339837201.db2.gz SZBFGAYXQIPTHL-UHFFFAOYSA-N 2 2 315.421 0.399 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000490780649 339840189 /nfs/dbraw/zinc/84/01/89/339840189.db2.gz NNAPKRDOARZSHF-QGZVFWFLSA-N 2 2 318.465 0.324 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H](SC)C2)CC1 ZINC000134572158 341218592 /nfs/dbraw/zinc/21/85/92/341218592.db2.gz ADIPJQHBABKYPQ-OAHLLOKOSA-N 2 2 309.479 0.981 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H](SC)C2)CC1 ZINC000134572158 341218593 /nfs/dbraw/zinc/21/85/93/341218593.db2.gz ADIPJQHBABKYPQ-OAHLLOKOSA-N 2 2 309.479 0.981 20 30 DCEDLP CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567721023 1160464181 /nfs/dbraw/zinc/46/41/81/1160464181.db2.gz SIVIWTTVKSWMKN-MRXNPFEDSA-N 2 2 306.454 0.037 20 30 DCEDLP CC#CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567721023 1160464183 /nfs/dbraw/zinc/46/41/83/1160464183.db2.gz SIVIWTTVKSWMKN-MRXNPFEDSA-N 2 2 306.454 0.037 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N(C)Cc1ccon1 ZINC000261782795 526357781 /nfs/dbraw/zinc/35/77/81/526357781.db2.gz PNRJADLTVUOCAS-UHFFFAOYSA-N 2 2 309.414 0.793 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N(C)Cc1ccon1 ZINC000261782795 526357786 /nfs/dbraw/zinc/35/77/86/526357786.db2.gz PNRJADLTVUOCAS-UHFFFAOYSA-N 2 2 309.414 0.793 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647966 527936588 /nfs/dbraw/zinc/93/65/88/527936588.db2.gz NEALHZHLCKZPOC-YOEHRIQHSA-N 2 2 324.469 0.818 20 30 DCEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647966 527936591 /nfs/dbraw/zinc/93/65/91/527936591.db2.gz NEALHZHLCKZPOC-YOEHRIQHSA-N 2 2 324.469 0.818 20 30 DCEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001665549564 1174532082 /nfs/dbraw/zinc/53/20/82/1174532082.db2.gz AFJCRJXTIJBLQG-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980224454 660894517 /nfs/dbraw/zinc/89/45/17/660894517.db2.gz ZHUVHOLXNIOVSG-ZNMIVQPWSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC000980224454 660894521 /nfs/dbraw/zinc/89/45/21/660894521.db2.gz ZHUVHOLXNIOVSG-ZNMIVQPWSA-N 2 2 300.406 0.813 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535190 657646928 /nfs/dbraw/zinc/64/69/28/657646928.db2.gz RUMTYIDJNOJFHH-QGZVFWFLSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535190 657646930 /nfs/dbraw/zinc/64/69/30/657646930.db2.gz RUMTYIDJNOJFHH-QGZVFWFLSA-N 2 2 307.438 0.818 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023292516 657710376 /nfs/dbraw/zinc/71/03/76/657710376.db2.gz WFNYIZVYRFSYOB-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023292516 657710381 /nfs/dbraw/zinc/71/03/81/657710381.db2.gz WFNYIZVYRFSYOB-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292516 657710384 /nfs/dbraw/zinc/71/03/84/657710384.db2.gz WFNYIZVYRFSYOB-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023292516 657710388 /nfs/dbraw/zinc/71/03/88/657710388.db2.gz WFNYIZVYRFSYOB-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@H](COC)C1 ZINC000262780116 658206682 /nfs/dbraw/zinc/20/66/82/658206682.db2.gz KPYCBRXEBPTQMV-ZDUSSCGKSA-N 2 2 300.472 0.579 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699557 658276818 /nfs/dbraw/zinc/27/68/18/658276818.db2.gz GTWZUZJZOVKYTN-INIZCTEOSA-N 2 2 302.378 0.210 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699557 658276825 /nfs/dbraw/zinc/27/68/25/658276825.db2.gz GTWZUZJZOVKYTN-INIZCTEOSA-N 2 2 302.378 0.210 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996317 658328029 /nfs/dbraw/zinc/32/80/29/658328029.db2.gz IFVUVNIFGUPCTQ-UONOGXRCSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999167514 665590327 /nfs/dbraw/zinc/59/03/27/665590327.db2.gz FXMCBSMGEZRIJN-JCYILVPMSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999167514 665590330 /nfs/dbraw/zinc/59/03/30/665590330.db2.gz FXMCBSMGEZRIJN-JCYILVPMSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999167515 665590463 /nfs/dbraw/zinc/59/04/63/665590463.db2.gz FXMCBSMGEZRIJN-OFLPRAFFSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000999167515 665590465 /nfs/dbraw/zinc/59/04/65/665590465.db2.gz FXMCBSMGEZRIJN-OFLPRAFFSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571713 658817310 /nfs/dbraw/zinc/81/73/10/658817310.db2.gz YZNYYCHRONZIRL-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571713 658817322 /nfs/dbraw/zinc/81/73/22/658817322.db2.gz YZNYYCHRONZIRL-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571713 658817336 /nfs/dbraw/zinc/81/73/36/658817336.db2.gz YZNYYCHRONZIRL-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571713 658817347 /nfs/dbraw/zinc/81/73/47/658817347.db2.gz YZNYYCHRONZIRL-CJNGLKHVSA-N 2 2 315.421 0.956 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999392676 665640254 /nfs/dbraw/zinc/64/02/54/665640254.db2.gz SFRUEIDNPOILSG-ZFWWWQNUSA-N 2 2 317.393 0.248 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnon2)C1 ZINC000999392676 665640256 /nfs/dbraw/zinc/64/02/56/665640256.db2.gz SFRUEIDNPOILSG-ZFWWWQNUSA-N 2 2 317.393 0.248 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876013 665723100 /nfs/dbraw/zinc/72/31/00/665723100.db2.gz IEZFKYBODUEGNF-MRXNPFEDSA-N 2 2 307.438 0.721 20 30 DCEDLP C=CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876013 665723103 /nfs/dbraw/zinc/72/31/03/665723103.db2.gz IEZFKYBODUEGNF-MRXNPFEDSA-N 2 2 307.438 0.721 20 30 DCEDLP C#CCSCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989124 662382678 /nfs/dbraw/zinc/38/26/78/662382678.db2.gz OLPWONUYVNOOBS-OAHLLOKOSA-N 2 2 309.479 0.980 20 30 DCEDLP C#CCSCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989124 662382680 /nfs/dbraw/zinc/38/26/80/662382680.db2.gz OLPWONUYVNOOBS-OAHLLOKOSA-N 2 2 309.479 0.980 20 30 DCEDLP N#CCC[C@H](C#N)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446695 663556101 /nfs/dbraw/zinc/55/61/01/663556101.db2.gz KKJUYHIBOBKTQN-SJORKVTESA-N 2 2 319.453 0.816 20 30 DCEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000941684986 666042204 /nfs/dbraw/zinc/04/22/04/666042204.db2.gz KKHXJOYJFWBCTN-UHFFFAOYSA-N 2 2 317.437 0.678 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031978819 666080214 /nfs/dbraw/zinc/08/02/14/666080214.db2.gz MANUWONXFZMFKS-UHFFFAOYSA-N 2 2 316.405 0.955 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591699 666506093 /nfs/dbraw/zinc/50/60/93/666506093.db2.gz UFCCXUSFRJWRKV-CHWSQXEVSA-N 2 2 315.845 0.896 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001035328092 667299696 /nfs/dbraw/zinc/29/96/96/667299696.db2.gz PKIUBOGHQWLISP-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001035328092 667299697 /nfs/dbraw/zinc/29/96/97/667299697.db2.gz PKIUBOGHQWLISP-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035328092 667299698 /nfs/dbraw/zinc/29/96/98/667299698.db2.gz PKIUBOGHQWLISP-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001035328092 667299699 /nfs/dbraw/zinc/29/96/99/667299699.db2.gz PKIUBOGHQWLISP-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884191964 667494239 /nfs/dbraw/zinc/49/42/39/667494239.db2.gz RYMAGZQCGQAOBG-AWEZNQCLSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000890363347 668119564 /nfs/dbraw/zinc/11/95/64/668119564.db2.gz MYLPZVSGLMKCLD-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000890363347 668119566 /nfs/dbraw/zinc/11/95/66/668119566.db2.gz MYLPZVSGLMKCLD-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000890363347 668119567 /nfs/dbraw/zinc/11/95/67/668119567.db2.gz MYLPZVSGLMKCLD-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000890363347 668119570 /nfs/dbraw/zinc/11/95/70/668119570.db2.gz MYLPZVSGLMKCLD-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000890370514 668124319 /nfs/dbraw/zinc/12/43/19/668124319.db2.gz AHYPQLBYYUMMDM-OAHLLOKOSA-N 2 2 304.438 0.964 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000890370514 668124320 /nfs/dbraw/zinc/12/43/20/668124320.db2.gz AHYPQLBYYUMMDM-OAHLLOKOSA-N 2 2 304.438 0.964 20 30 DCEDLP C[NH+](C)CCOC1CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000758227072 668161125 /nfs/dbraw/zinc/16/11/25/668161125.db2.gz ZIEJZNUFSSWVGJ-UHFFFAOYSA-N 2 2 304.394 0.720 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000876801766 668513556 /nfs/dbraw/zinc/51/35/56/668513556.db2.gz ILXLJIOVTJJFSH-OPRDCNLKSA-N 2 2 301.272 0.604 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036866530 670229681 /nfs/dbraw/zinc/22/96/81/670229681.db2.gz GMVCAGYGANRXBR-ZBFHGGJFSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036866530 670229683 /nfs/dbraw/zinc/22/96/83/670229683.db2.gz GMVCAGYGANRXBR-ZBFHGGJFSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526160 670361853 /nfs/dbraw/zinc/36/18/53/670361853.db2.gz GYXKLIINYMIHSB-UHFFFAOYSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000949526160 670361855 /nfs/dbraw/zinc/36/18/55/670361855.db2.gz GYXKLIINYMIHSB-UHFFFAOYSA-N 2 2 316.405 0.518 20 30 DCEDLP Nc1ncc2c(n1)CCCC2=[NH+]NCCC[NH+]1CCOCC1 ZINC000814923754 670707526 /nfs/dbraw/zinc/70/75/26/670707526.db2.gz NIOWIKDIKSZKDQ-UHFFFAOYSA-N 2 2 304.398 0.411 20 30 DCEDLP C#CCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267239 671382456 /nfs/dbraw/zinc/38/24/56/671382456.db2.gz ROUAZWPQJUVGKG-HOCLYGCPSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267239 671382461 /nfs/dbraw/zinc/38/24/61/671382461.db2.gz ROUAZWPQJUVGKG-HOCLYGCPSA-N 2 2 307.438 0.652 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000834506231 671767221 /nfs/dbraw/zinc/76/72/21/671767221.db2.gz QXOLLPSTVRHCKN-ZBFHGGJFSA-N 2 2 309.373 0.702 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000887581647 685405847 /nfs/dbraw/zinc/40/58/47/685405847.db2.gz BIHLBSBGAIMEIY-OAHLLOKOSA-N 2 2 308.426 0.106 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000887581647 685405851 /nfs/dbraw/zinc/40/58/51/685405851.db2.gz BIHLBSBGAIMEIY-OAHLLOKOSA-N 2 2 308.426 0.106 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001691846338 1158751041 /nfs/dbraw/zinc/75/10/41/1158751041.db2.gz VNLPLTITMXLCQE-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001691846338 1158751047 /nfs/dbraw/zinc/75/10/47/1158751047.db2.gz VNLPLTITMXLCQE-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP CC(C)[C@@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCN(C)CC1 ZINC000303793250 685207239 /nfs/dbraw/zinc/20/72/39/685207239.db2.gz ZFEFQSSROHHFJW-CQSZACIVSA-N 2 2 313.515 0.622 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000958282999 687509250 /nfs/dbraw/zinc/50/92/50/687509250.db2.gz DREMUGYFRIZZBZ-WBVHZDCISA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000958282999 687509255 /nfs/dbraw/zinc/50/92/55/687509255.db2.gz DREMUGYFRIZZBZ-WBVHZDCISA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001039424813 694361696 /nfs/dbraw/zinc/36/16/96/694361696.db2.gz HSAKFMUIQAQKRW-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001039424813 694361698 /nfs/dbraw/zinc/36/16/98/694361698.db2.gz HSAKFMUIQAQKRW-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001039424813 694361699 /nfs/dbraw/zinc/36/16/99/694361699.db2.gz HSAKFMUIQAQKRW-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001039424813 694361700 /nfs/dbraw/zinc/36/17/00/694361700.db2.gz HSAKFMUIQAQKRW-IXDOHACOSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533277 690885829 /nfs/dbraw/zinc/88/58/29/690885829.db2.gz LRDONVSUDTUGOM-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533277 690885830 /nfs/dbraw/zinc/88/58/30/690885830.db2.gz LRDONVSUDTUGOM-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001019815304 693595987 /nfs/dbraw/zinc/59/59/87/693595987.db2.gz DLWBBHMFGWPNCL-AWEZNQCLSA-N 2 2 317.393 0.105 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772100 694780397 /nfs/dbraw/zinc/78/03/97/694780397.db2.gz DFYZMNJAIMFBNU-RBSFLKMASA-N 2 2 316.405 0.364 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772100 694780398 /nfs/dbraw/zinc/78/03/98/694780398.db2.gz DFYZMNJAIMFBNU-RBSFLKMASA-N 2 2 316.405 0.364 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076515471 695026377 /nfs/dbraw/zinc/02/63/77/695026377.db2.gz ACSQKSCZTOVUQX-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076515471 695026378 /nfs/dbraw/zinc/02/63/78/695026378.db2.gz ACSQKSCZTOVUQX-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001571168802 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VNLPLTITMXLCQE-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001565825396 1159854721 /nfs/dbraw/zinc/85/47/21/1159854721.db2.gz UVLGXQDVLDOART-ULQDDVLXSA-N 2 2 321.465 0.899 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001565825396 1159854729 /nfs/dbraw/zinc/85/47/29/1159854729.db2.gz UVLGXQDVLDOART-ULQDDVLXSA-N 2 2 321.465 0.899 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001565825396 1159854738 /nfs/dbraw/zinc/85/47/38/1159854738.db2.gz UVLGXQDVLDOART-ULQDDVLXSA-N 2 2 321.465 0.899 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001565825396 1159854749 /nfs/dbraw/zinc/85/47/49/1159854749.db2.gz UVLGXQDVLDOART-ULQDDVLXSA-N 2 2 321.465 0.899 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566675113 1160126867 /nfs/dbraw/zinc/12/68/67/1160126867.db2.gz MYHPKFUMERJXTJ-OAHLLOKOSA-N 2 2 318.421 0.847 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001566675113 1160126870 /nfs/dbraw/zinc/12/68/70/1160126870.db2.gz MYHPKFUMERJXTJ-OAHLLOKOSA-N 2 2 318.421 0.847 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001567147277 1160256726 /nfs/dbraw/zinc/25/67/26/1160256726.db2.gz IDIQSNHFVDDPAQ-CQSZACIVSA-N 2 2 318.421 0.775 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001567386864 1160339363 /nfs/dbraw/zinc/33/93/63/1160339363.db2.gz OVRMVZPQXHWLIQ-KBPBESRZSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001567386864 1160339370 /nfs/dbraw/zinc/33/93/70/1160339370.db2.gz OVRMVZPQXHWLIQ-KBPBESRZSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295556 1160623205 /nfs/dbraw/zinc/62/32/05/1160623205.db2.gz XXARJTFOLLCNCX-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001568295556 1160623209 /nfs/dbraw/zinc/62/32/09/1160623209.db2.gz XXARJTFOLLCNCX-GDBMZVCRSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[NH2+]C[C@@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568572919 1160688946 /nfs/dbraw/zinc/68/89/46/1160688946.db2.gz HWLRZIWOLYZRSF-OAHLLOKOSA-N 2 2 300.362 0.739 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001568645213 1160721912 /nfs/dbraw/zinc/72/19/12/1160721912.db2.gz CZDIYWNCKZHULJ-CQSZACIVSA-N 2 2 319.405 0.767 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569687932 1161194160 /nfs/dbraw/zinc/19/41/60/1161194160.db2.gz AFFPUGNHIYTZKH-MRXNPFEDSA-N 2 2 304.394 0.430 20 30 DCEDLP C=CCCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001569787834 1161248595 /nfs/dbraw/zinc/24/85/95/1161248595.db2.gz XLAWEIQFBDICFS-UHFFFAOYSA-N 2 2 309.454 0.847 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001570359102 1161580846 /nfs/dbraw/zinc/58/08/46/1161580846.db2.gz PLGQYTFDRRCPTN-DZGCQCFKSA-N 2 2 306.410 0.602 20 30 DCEDLP COCC#CC[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001671423388 1171817359 /nfs/dbraw/zinc/81/73/59/1171817359.db2.gz ORSOLJNTYBMQMW-UHFFFAOYSA-N 2 2 318.421 0.894 20 30 DCEDLP C=C(Br)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001647554891 1172968490 /nfs/dbraw/zinc/96/84/90/1172968490.db2.gz DIURFCIIFDOFGS-UHFFFAOYSA-N 2 2 305.220 0.617 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001661001306 1174084136 /nfs/dbraw/zinc/08/41/36/1174084136.db2.gz SSSZKULUQMKHHC-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001661001306 1174084140 /nfs/dbraw/zinc/08/41/40/1174084140.db2.gz SSSZKULUQMKHHC-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(OC)no1 ZINC001662244650 1174192758 /nfs/dbraw/zinc/19/27/58/1174192758.db2.gz PUOLTKWEZUMJGC-JSGCOSHPSA-N 2 2 320.393 0.375 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cc(OC)no1 ZINC001662244650 1174192761 /nfs/dbraw/zinc/19/27/61/1174192761.db2.gz PUOLTKWEZUMJGC-JSGCOSHPSA-N 2 2 320.393 0.375 20 30 DCEDLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001665549564 1174532072 /nfs/dbraw/zinc/53/20/72/1174532072.db2.gz AFJCRJXTIJBLQG-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001665549564 1174532076 /nfs/dbraw/zinc/53/20/76/1174532076.db2.gz AFJCRJXTIJBLQG-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001665549564 1174532081 /nfs/dbraw/zinc/53/20/81/1174532081.db2.gz AFJCRJXTIJBLQG-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001665834034 1174567211 /nfs/dbraw/zinc/56/72/11/1174567211.db2.gz MZYYISYLRLQQFU-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001665834034 1174567216 /nfs/dbraw/zinc/56/72/16/1174567216.db2.gz MZYYISYLRLQQFU-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001667338947 1174676191 /nfs/dbraw/zinc/67/61/91/1174676191.db2.gz OEROWSTUSQUGMN-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001673193666 1175177943 /nfs/dbraw/zinc/17/79/43/1175177943.db2.gz JSDNFINFHIQRDZ-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001676766298 1175487404 /nfs/dbraw/zinc/48/74/04/1175487404.db2.gz BXSRWXJUJZQENP-UONOGXRCSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001677306253 1175554035 /nfs/dbraw/zinc/55/40/35/1175554035.db2.gz FBPNABNMCZMWPS-CYBMUJFWSA-N 2 2 321.425 0.306 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001688886196 1176645582 /nfs/dbraw/zinc/64/55/82/1176645582.db2.gz JZBSCGHDFAMKQS-HNNXBMFYSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001688886196 1176645587 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KNXWDQHKXWULLK-OOPCZODUSA-N 2 2 317.393 0.001 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)cn1 ZINC001715935161 1182108901 /nfs/dbraw/zinc/10/89/01/1182108901.db2.gz RUTQWSZROQOEBC-CABCVRRESA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)cn1 ZINC001715935161 1182108904 /nfs/dbraw/zinc/10/89/04/1182108904.db2.gz RUTQWSZROQOEBC-CABCVRRESA-N 2 2 315.421 0.477 20 30 DCEDLP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001716337282 1182343402 /nfs/dbraw/zinc/34/34/02/1182343402.db2.gz PDZAENLPDUTUSL-LXXRFIIISA-N 2 2 319.449 0.915 20 30 DCEDLP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001716337282 1182343408 /nfs/dbraw/zinc/34/34/08/1182343408.db2.gz PDZAENLPDUTUSL-LXXRFIIISA-N 2 2 319.449 0.915 20 30 DCEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001716685433 1182496054 /nfs/dbraw/zinc/49/60/54/1182496054.db2.gz AUXWACKCASVBQG-CQSZACIVSA-N 2 2 318.421 0.887 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001716946881 1182600642 /nfs/dbraw/zinc/60/06/42/1182600642.db2.gz RIKFGXSRUIVCSL-MRXNPFEDSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001717618833 1182927502 /nfs/dbraw/zinc/92/75/02/1182927502.db2.gz MGVLADDSQCEWNS-DZGCQCFKSA-N 2 2 304.394 0.489 20 30 DCEDLP COCC#CC[NH2+][C@H](CCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001717721342 1182968853 /nfs/dbraw/zinc/96/88/53/1182968853.db2.gz CFESOWRVSFBDKK-CQSZACIVSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001723639171 1184334349 /nfs/dbraw/zinc/33/43/49/1184334349.db2.gz FEZDACBSGQYYBU-CVEARBPZSA-N 2 2 316.405 0.598 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001723639171 1184334355 /nfs/dbraw/zinc/33/43/55/1184334355.db2.gz FEZDACBSGQYYBU-CVEARBPZSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001724248486 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312.373 0.443 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001754753293 1188921389 /nfs/dbraw/zinc/92/13/89/1188921389.db2.gz CRCASGIZEGNTEC-QGZVFWFLSA-N 2 2 318.421 0.503 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001754753293 1188921392 /nfs/dbraw/zinc/92/13/92/1188921392.db2.gz CRCASGIZEGNTEC-QGZVFWFLSA-N 2 2 318.421 0.503 20 30 DCEDLP C=CCC[NH2+]C1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001754850156 1188948590 /nfs/dbraw/zinc/94/85/90/1188948590.db2.gz VXHLNFARAJCPDW-UHFFFAOYSA-N 2 2 319.453 0.709 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cnn(C)c1 ZINC001755303313 1189074540 /nfs/dbraw/zinc/07/45/40/1189074540.db2.gz KTLLEZVIZIPEMI-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cnn(C)c1 ZINC001755303313 1189074544 /nfs/dbraw/zinc/07/45/44/1189074544.db2.gz KTLLEZVIZIPEMI-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC001755303313 1189074549 /nfs/dbraw/zinc/07/45/49/1189074549.db2.gz KTLLEZVIZIPEMI-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC001755303313 1189074556 /nfs/dbraw/zinc/07/45/56/1189074556.db2.gz KTLLEZVIZIPEMI-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755379967 1189095708 /nfs/dbraw/zinc/09/57/08/1189095708.db2.gz WQAQNFLRKNKEEN-ZDUSSCGKSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083769037 751624111 /nfs/dbraw/zinc/62/41/11/751624111.db2.gz BKLVZUZKJIAMFW-YUTCNCBUSA-N 2 2 302.378 0.014 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083769037 751624113 /nfs/dbraw/zinc/62/41/13/751624113.db2.gz BKLVZUZKJIAMFW-YUTCNCBUSA-N 2 2 302.378 0.014 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107229155 751963575 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PUHJOVQHDPAOGN-CABCVRRESA-N 2 2 318.421 0.499 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001083540604 750122462 /nfs/dbraw/zinc/12/24/62/750122462.db2.gz OKIZRAZSKRDERZ-GBOPCIDUSA-N 2 2 304.394 0.641 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001083540604 750122476 /nfs/dbraw/zinc/12/24/76/750122476.db2.gz OKIZRAZSKRDERZ-GBOPCIDUSA-N 2 2 304.394 0.641 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001083540604 750122479 /nfs/dbraw/zinc/12/24/79/750122479.db2.gz OKIZRAZSKRDERZ-GBOPCIDUSA-N 2 2 304.394 0.641 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O ZINC001077159184 750235857 /nfs/dbraw/zinc/23/58/57/750235857.db2.gz SEMVSJYQJDHKMF-IXDOHACOSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001077159184 750235860 /nfs/dbraw/zinc/23/58/60/750235860.db2.gz SEMVSJYQJDHKMF-IXDOHACOSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1O ZINC001077159184 750235864 /nfs/dbraw/zinc/23/58/64/750235864.db2.gz SEMVSJYQJDHKMF-IXDOHACOSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCCC2)C[C@H]1O ZINC001077159184 750235868 /nfs/dbraw/zinc/23/58/68/750235868.db2.gz SEMVSJYQJDHKMF-IXDOHACOSA-N 2 2 319.449 0.436 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001106340368 751115486 /nfs/dbraw/zinc/11/54/86/751115486.db2.gz UMMLAQNNUUDEJI-QLFBSQMISA-N 2 2 300.406 0.763 20 30 DCEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)C[NH+]3CCCC3)c2C1 ZINC001128581863 754153283 /nfs/dbraw/zinc/15/32/83/754153283.db2.gz WJSCJIGSOIDVJE-UHFFFAOYSA-N 2 2 317.437 0.987 20 30 DCEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)C[NH+]3CCCC3)c2C1 ZINC001128581863 754153288 /nfs/dbraw/zinc/15/32/88/754153288.db2.gz WJSCJIGSOIDVJE-UHFFFAOYSA-N 2 2 317.437 0.987 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 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/nfs/dbraw/zinc/10/20/62/755102062.db2.gz SGFDKVUZDFFQRU-QKPAOTATSA-N 2 2 312.417 0.937 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001053429560 756041806 /nfs/dbraw/zinc/04/18/06/756041806.db2.gz SLTJAKGPQWRPDD-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001053429560 756041811 /nfs/dbraw/zinc/04/18/11/756041811.db2.gz SLTJAKGPQWRPDD-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053872601 756253813 /nfs/dbraw/zinc/25/38/13/756253813.db2.gz YNAGHZHLFXOXNB-CQSZACIVSA-N 2 2 304.394 0.727 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001053891489 756263289 /nfs/dbraw/zinc/26/32/89/756263289.db2.gz SVXRHKPDUBWRQG-OAHLLOKOSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001081870986 756829990 /nfs/dbraw/zinc/82/99/90/756829990.db2.gz SURIWBKGHCESRQ-RRFJBIMHSA-N 2 2 318.421 0.837 20 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C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052076772 759160866 /nfs/dbraw/zinc/16/08/66/759160866.db2.gz LSBQKWUUKIBNHJ-DLBZAZTESA-N 2 2 320.481 0.424 20 30 DCEDLP C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052076772 759160868 /nfs/dbraw/zinc/16/08/68/759160868.db2.gz LSBQKWUUKIBNHJ-DLBZAZTESA-N 2 2 320.481 0.424 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117590 759191568 /nfs/dbraw/zinc/19/15/68/759191568.db2.gz UQHLRAYNTXYEOC-SJORKVTESA-N 2 2 320.481 0.733 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117590 759191571 /nfs/dbraw/zinc/19/15/71/759191571.db2.gz UQHLRAYNTXYEOC-SJORKVTESA-N 2 2 320.481 0.733 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085685393 759195373 /nfs/dbraw/zinc/19/53/73/759195373.db2.gz QCBWLLVZHUHIMB-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085685393 759195377 /nfs/dbraw/zinc/19/53/77/759195377.db2.gz QCBWLLVZHUHIMB-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789016 759317366 /nfs/dbraw/zinc/31/73/66/759317366.db2.gz YVFIJMLWEKIADO-GDBMZVCRSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789016 759317375 /nfs/dbraw/zinc/31/73/75/759317375.db2.gz YVFIJMLWEKIADO-GDBMZVCRSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817225 759349907 /nfs/dbraw/zinc/34/99/07/759349907.db2.gz SORORFUNMAJMCR-GJZGRUSLSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817225 759349918 /nfs/dbraw/zinc/34/99/18/759349918.db2.gz SORORFUNMAJMCR-GJZGRUSLSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001086439136 760188673 /nfs/dbraw/zinc/18/86/73/760188673.db2.gz RSZYKSMUWGGYGQ-BRWVUGGUSA-N 2 2 319.449 0.605 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001086439136 760188677 /nfs/dbraw/zinc/18/86/77/760188677.db2.gz RSZYKSMUWGGYGQ-BRWVUGGUSA-N 2 2 319.449 0.605 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094627 760246152 /nfs/dbraw/zinc/24/61/52/760246152.db2.gz PQQCMKNMQHQHRP-HZPDHXFCSA-N 2 2 320.437 0.870 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094627 760246154 /nfs/dbraw/zinc/24/61/54/760246154.db2.gz PQQCMKNMQHQHRP-HZPDHXFCSA-N 2 2 320.437 0.870 20 30 DCEDLP CCOC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c1 ZINC001169073884 760573302 /nfs/dbraw/zinc/57/33/02/760573302.db2.gz NOBHCKAYNKNBJM-GFCCVEGCSA-N 2 2 315.333 0.178 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O2 ZINC001071234112 761727983 /nfs/dbraw/zinc/72/79/83/761727983.db2.gz UBMZFZRSFQBODR-CXAGYDPISA-N 2 2 316.405 0.586 20 30 DCEDLP 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/nfs/dbraw/zinc/98/11/23/944981123.db2.gz PMPFRLICOVXZFJ-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246312986 945381245 /nfs/dbraw/zinc/38/12/45/945381245.db2.gz QDAUCZHJBJYQMN-OLZOCXBDSA-N 3 2 313.467 0.650 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001273150779 945390367 /nfs/dbraw/zinc/39/03/67/945390367.db2.gz OAQFAIDDAQTPJV-CQSZACIVSA-N 2 2 306.410 0.487 20 30 DCEDLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#CCOC ZINC001318583474 945407748 /nfs/dbraw/zinc/40/77/48/945407748.db2.gz WMDHPCGUSZUEFL-KBPBESRZSA-N 2 2 306.410 0.723 20 30 DCEDLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC#CCOC ZINC001318583474 945407757 /nfs/dbraw/zinc/40/77/57/945407757.db2.gz WMDHPCGUSZUEFL-KBPBESRZSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001318701585 945429494 /nfs/dbraw/zinc/42/94/94/945429494.db2.gz LIQKXBBJJKKNIE-SUMWQHHRSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001278571298 945662289 /nfs/dbraw/zinc/66/22/89/945662289.db2.gz DVJAZOCVMQGLIP-QGZVFWFLSA-N 2 2 318.421 0.441 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278602599 945678126 /nfs/dbraw/zinc/67/81/26/945678126.db2.gz SPHHMXTUIAEYNX-UONOGXRCSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001251839790 945790979 /nfs/dbraw/zinc/79/09/79/945790979.db2.gz KCFDONYDCFLHLF-JFIYKMOQSA-N 2 2 315.417 0.456 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001278860384 946492703 /nfs/dbraw/zinc/49/27/03/946492703.db2.gz VONIMPCTNAQYAH-OAHLLOKOSA-N 2 2 321.421 0.960 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001278860384 946492706 /nfs/dbraw/zinc/49/27/06/946492706.db2.gz VONIMPCTNAQYAH-OAHLLOKOSA-N 2 2 321.421 0.960 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278864404 946496308 /nfs/dbraw/zinc/49/63/08/946496308.db2.gz FOVJJGIGAVOSCU-HUUCEWRRSA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278864404 946496318 /nfs/dbraw/zinc/49/63/18/946496318.db2.gz FOVJJGIGAVOSCU-HUUCEWRRSA-N 2 2 320.437 0.773 20 30 DCEDLP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)CCOC ZINC001279056377 946773609 /nfs/dbraw/zinc/77/36/09/946773609.db2.gz ZVVUSNQBFNDXER-MRXNPFEDSA-N 2 2 309.454 0.949 20 30 DCEDLP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CCOC ZINC001279056377 946773619 /nfs/dbraw/zinc/77/36/19/946773619.db2.gz ZVVUSNQBFNDXER-MRXNPFEDSA-N 2 2 309.454 0.949 20 30 DCEDLP CC#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CCOC ZINC001279056377 946773642 /nfs/dbraw/zinc/77/36/42/946773642.db2.gz ZVVUSNQBFNDXER-MRXNPFEDSA-N 2 2 309.454 0.949 20 30 DCEDLP C=CCN1CC[NH+](CCCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001265251506 949496020 /nfs/dbraw/zinc/49/60/20/949496020.db2.gz IUCOXJDKYMAHSY-UHFFFAOYSA-N 2 2 324.469 0.019 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265436746 949682785 /nfs/dbraw/zinc/68/27/85/949682785.db2.gz NVGRQDFQTPQLBN-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001265660369 949859148 /nfs/dbraw/zinc/85/91/48/949859148.db2.gz VCZLLRIVMMZYIB-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001265660369 949859124 /nfs/dbraw/zinc/85/91/24/949859124.db2.gz VCZLLRIVMMZYIB-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265694415 949879643 /nfs/dbraw/zinc/87/96/43/949879643.db2.gz SJDNOUFDPYJHML-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001265941587 950170573 /nfs/dbraw/zinc/17/05/73/950170573.db2.gz DAOMGUHAMHFFRO-OLZOCXBDSA-N 2 2 319.409 0.142 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001490305592 950517964 /nfs/dbraw/zinc/51/79/64/950517964.db2.gz JHGBJDVTWROFNL-GOEBONIOSA-N 2 2 318.421 0.961 20 30 DCEDLP CC#CCN1CC[NH+](CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001490515578 950842000 /nfs/dbraw/zinc/84/20/00/950842000.db2.gz CRZXJQGPRXYNRO-UHFFFAOYSA-N 2 2 320.481 0.620 20 30 DCEDLP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001274857274 951859876 /nfs/dbraw/zinc/85/98/76/951859876.db2.gz AMPXEHPYWKHYGY-KFWWJZLASA-N 2 2 311.426 0.147 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001345631286 953695192 /nfs/dbraw/zinc/69/51/92/953695192.db2.gz BGFWLBAOSLRBRO-OAHLLOKOSA-N 2 2 323.485 0.572 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001316958745 960327295 /nfs/dbraw/zinc/32/72/95/960327295.db2.gz IHUDSQHDVLGMAD-KRWDZBQOSA-N 2 2 320.481 0.618 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001316958745 960327304 /nfs/dbraw/zinc/32/73/04/960327304.db2.gz IHUDSQHDVLGMAD-KRWDZBQOSA-N 2 2 320.481 0.618 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001374661476 965720024 /nfs/dbraw/zinc/72/00/24/965720024.db2.gz SNVYNDWAMWDPOE-JTQLQIEISA-N 2 2 319.390 0.152 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001394792451 994159460 /nfs/dbraw/zinc/15/94/60/994159460.db2.gz RRAZSVNTFOMMBM-ZDUSSCGKSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001394792451 994159465 /nfs/dbraw/zinc/15/94/65/994159465.db2.gz RRAZSVNTFOMMBM-ZDUSSCGKSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001394792451 994159467 /nfs/dbraw/zinc/15/94/67/994159467.db2.gz RRAZSVNTFOMMBM-ZDUSSCGKSA-N 2 2 305.850 0.830 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+](C)C(C)C ZINC001394792451 994159472 /nfs/dbraw/zinc/15/94/72/994159472.db2.gz RRAZSVNTFOMMBM-ZDUSSCGKSA-N 2 2 305.850 0.830 20 30 DCEDLP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001502593419 1015987121 /nfs/dbraw/zinc/98/71/21/1015987121.db2.gz GWZANOIZGKPHPX-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001507329592 1016257021 /nfs/dbraw/zinc/25/70/21/1016257021.db2.gz WDNNFNVPYHEFPC-HUUCEWRRSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001506859191 1017621661 /nfs/dbraw/zinc/62/16/61/1017621661.db2.gz VRUBLJGVYHGEKI-CABCVRRESA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001494853778 1018107492 /nfs/dbraw/zinc/10/74/92/1018107492.db2.gz HENCAAYLVZFZEV-GJZGRUSLSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494853778 1018107493 /nfs/dbraw/zinc/10/74/93/1018107493.db2.gz HENCAAYLVZFZEV-GJZGRUSLSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494853778 1018107496 /nfs/dbraw/zinc/10/74/96/1018107496.db2.gz HENCAAYLVZFZEV-GJZGRUSLSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494853778 1018107500 /nfs/dbraw/zinc/10/75/00/1018107500.db2.gz HENCAAYLVZFZEV-GJZGRUSLSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001497460637 1018149498 /nfs/dbraw/zinc/14/94/98/1018149498.db2.gz PRDNXVHIGBKPNQ-AWEZNQCLSA-N 2 2 319.409 0.177 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497693835 1018339501 /nfs/dbraw/zinc/33/95/01/1018339501.db2.gz PIAKODZFYLRKHN-ABCZVMIZSA-N 2 2 304.394 0.746 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497693837 1018339981 /nfs/dbraw/zinc/33/99/81/1018339981.db2.gz PIAKODZFYLRKHN-JZIMQPMSSA-N 2 2 304.394 0.746 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001480287805 1018401418 /nfs/dbraw/zinc/40/14/18/1018401418.db2.gz WUCYBELTBKRLST-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001495707561 1018661570 /nfs/dbraw/zinc/66/15/70/1018661570.db2.gz OZLSTUCHBIUHBK-CQSZACIVSA-N 2 2 306.410 0.344 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001480579780 1018678255 /nfs/dbraw/zinc/67/82/55/1018678255.db2.gz ONFYZGBOMJPFOG-JQWIXIFHSA-N 2 2 307.398 0.046 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480664871 1018754889 /nfs/dbraw/zinc/75/48/89/1018754889.db2.gz GGYOWYSYUYWVRU-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001501146249 1018920984 /nfs/dbraw/zinc/92/09/84/1018920984.db2.gz KXLDTTFPEXTTQW-GJZGRUSLSA-N 2 2 320.437 0.849 20 30 DCEDLP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496727755 1019583566 /nfs/dbraw/zinc/58/35/66/1019583566.db2.gz BRGDIXJJXBRFMU-HNNXBMFYSA-N 2 2 318.421 0.486 20 30 DCEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496727755 1019583579 /nfs/dbraw/zinc/58/35/79/1019583579.db2.gz BRGDIXJJXBRFMU-HNNXBMFYSA-N 2 2 318.421 0.486 20 30 DCEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCO)CC1 ZINC000357644241 529836778 /nfs/dbraw/zinc/83/67/78/529836778.db2.gz HDHCKLRFBBEHMA-INIZCTEOSA-N 2 2 308.426 0.183 20 30 DCEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCO)CC1 ZINC000357644241 529836779 /nfs/dbraw/zinc/83/67/79/529836779.db2.gz HDHCKLRFBBEHMA-INIZCTEOSA-N 2 2 308.426 0.183 20 30 DCEDLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC1(C#N)CCC1 ZINC000596046750 396711368 /nfs/dbraw/zinc/71/13/68/396711368.db2.gz LZIXXNBBPSIHEG-DZGCQCFKSA-N 2 2 320.437 0.780 20 30 DCEDLP Cc1cccn2cc(CC[NH2+]C[C@H](O)CN(C)CCC#N)[nH+]c12 ZINC000591748358 396995781 /nfs/dbraw/zinc/99/57/81/396995781.db2.gz WFNJDWOISFWMAS-INIZCTEOSA-N 2 2 315.421 0.981 20 30 DCEDLP N#CCCN1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000601333658 397062879 /nfs/dbraw/zinc/06/28/79/397062879.db2.gz UMVULVHZKRSOJW-IRXDYDNUSA-N 2 2 302.422 0.449 20 30 DCEDLP C[NH+]1CCN(C[C@@H]2C[N@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)CC1 ZINC000598589584 397252558 /nfs/dbraw/zinc/25/25/58/397252558.db2.gz UAVMHJGLRAHPFX-JKSUJKDBSA-N 2 2 324.469 0.235 20 30 DCEDLP C[NH+]1CCN(C[C@@H]2C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCO2)CC1 ZINC000598589584 397252562 /nfs/dbraw/zinc/25/25/62/397252562.db2.gz UAVMHJGLRAHPFX-JKSUJKDBSA-N 2 2 324.469 0.235 20 30 DCEDLP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCC3)=[NH+]C[C@@H]2C1 ZINC000496067199 397572902 /nfs/dbraw/zinc/57/29/02/397572902.db2.gz ORNYGFYQMIHDIB-CYBMUJFWSA-N 2 2 323.441 0.573 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762501 159354907 /nfs/dbraw/zinc/35/49/07/159354907.db2.gz CQXXKLZWSBXJTP-CYBMUJFWSA-N 2 2 301.394 0.785 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762501 159354910 /nfs/dbraw/zinc/35/49/10/159354910.db2.gz CQXXKLZWSBXJTP-CYBMUJFWSA-N 2 2 301.394 0.785 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154619 415623133 /nfs/dbraw/zinc/62/31/33/415623133.db2.gz MEEXWMLDVAZPCU-GDBMZVCRSA-N 2 2 320.437 0.827 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154619 415623141 /nfs/dbraw/zinc/62/31/41/415623141.db2.gz MEEXWMLDVAZPCU-GDBMZVCRSA-N 2 2 320.437 0.827 20 30 DCEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1cc(F)ccc1F ZINC000288752392 415683600 /nfs/dbraw/zinc/68/36/00/415683600.db2.gz RBANONMAZRSEOR-LLVKDONJSA-N 2 2 314.336 0.385 20 30 DCEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000328791664 416133109 /nfs/dbraw/zinc/13/31/09/416133109.db2.gz QXLGAGUDXLRYAV-ZIAGYGMSSA-N 2 2 320.441 0.369 20 30 DCEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000328791664 416133110 /nfs/dbraw/zinc/13/31/10/416133110.db2.gz QXLGAGUDXLRYAV-ZIAGYGMSSA-N 2 2 320.441 0.369 20 30 DCEDLP CN(C)c1nc(N2CC[NH+](CCOCCC#N)CC2)cc[nH+]1 ZINC000339002709 416150640 /nfs/dbraw/zinc/15/06/40/416150640.db2.gz DHDFTUUIWBFIIK-UHFFFAOYSA-N 2 2 304.398 0.595 20 30 DCEDLP CN1CC[N@H+](C)[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329379747 416166920 /nfs/dbraw/zinc/16/69/20/416166920.db2.gz PNEVERAPTOZKIP-HNNXBMFYSA-N 2 2 309.458 0.363 20 30 DCEDLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329379747 416166921 /nfs/dbraw/zinc/16/69/21/416166921.db2.gz PNEVERAPTOZKIP-HNNXBMFYSA-N 2 2 309.458 0.363 20 30 DCEDLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C#N)(COC)CC2)CC1 ZINC000341968874 416259965 /nfs/dbraw/zinc/25/99/65/416259965.db2.gz BAZUTDCGVSLWEO-HNNXBMFYSA-N 2 2 322.453 0.791 20 30 DCEDLP CNC(=O)NC(=O)CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000331097254 416264408 /nfs/dbraw/zinc/26/44/08/416264408.db2.gz MPCRZWUVNOMENH-UHFFFAOYSA-N 2 2 305.382 0.562 20 30 DCEDLP C=CC[N@@H+](CCOC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000191759339 416289078 /nfs/dbraw/zinc/28/90/78/416289078.db2.gz VQRNPXUTZPKJDE-UHFFFAOYSA-N 2 2 305.426 0.863 20 30 DCEDLP C=CC[N@H+](CCOC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000191759339 416289081 /nfs/dbraw/zinc/28/90/81/416289081.db2.gz VQRNPXUTZPKJDE-UHFFFAOYSA-N 2 2 305.426 0.863 20 30 DCEDLP Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593916038 416550559 /nfs/dbraw/zinc/55/05/59/416550559.db2.gz BPTWYWPXEOVLEY-GFCCVEGCSA-N 2 2 300.366 0.961 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000491505239 416603912 /nfs/dbraw/zinc/60/39/12/416603912.db2.gz KTOAUFFBICPUGH-INIZCTEOSA-N 2 2 321.490 0.981 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000491505239 416603915 /nfs/dbraw/zinc/60/39/15/416603915.db2.gz KTOAUFFBICPUGH-INIZCTEOSA-N 2 2 321.490 0.981 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000490937383 416580815 /nfs/dbraw/zinc/58/08/15/416580815.db2.gz UKVNMMYKEKBFRU-MRXNPFEDSA-N 2 2 307.438 0.295 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](COC)CC2)CC1 ZINC000491750677 416624150 /nfs/dbraw/zinc/62/41/50/416624150.db2.gz WXKGRLZDEZOLKO-INIZCTEOSA-N 2 2 307.438 0.512 20 30 DCEDLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313819 416965692 /nfs/dbraw/zinc/96/56/92/416965692.db2.gz SJLKXRPGASQFPQ-CABCVRRESA-N 2 2 304.394 0.719 20 30 DCEDLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313819 416965702 /nfs/dbraw/zinc/96/57/02/416965702.db2.gz SJLKXRPGASQFPQ-CABCVRRESA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313819 416965708 /nfs/dbraw/zinc/96/57/08/416965708.db2.gz SJLKXRPGASQFPQ-CABCVRRESA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313819 416965711 /nfs/dbraw/zinc/96/57/11/416965711.db2.gz SJLKXRPGASQFPQ-CABCVRRESA-N 2 2 304.394 0.719 20 30 DCEDLP C=CC[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580543750 417709486 /nfs/dbraw/zinc/70/94/86/417709486.db2.gz QDICUSGNBQMSAU-UXLLHSPISA-N 2 2 311.470 0.697 20 30 DCEDLP C[C@@H](C[NH+]=C([O-])N1CCn2cc[nH+]c2C1)C[NH+]1CCOCC1 ZINC000329468165 278217986 /nfs/dbraw/zinc/21/79/86/278217986.db2.gz WRPXNXSGTQNPKS-ZDUSSCGKSA-N 2 2 307.398 0.581 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000491326531 333022594 /nfs/dbraw/zinc/02/25/94/333022594.db2.gz NWAQDVMZPGPLPV-INIZCTEOSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000491326531 333022595 /nfs/dbraw/zinc/02/25/95/333022595.db2.gz NWAQDVMZPGPLPV-INIZCTEOSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000491326532 333023102 /nfs/dbraw/zinc/02/31/02/333023102.db2.gz NWAQDVMZPGPLPV-MRXNPFEDSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000491326532 333023103 /nfs/dbraw/zinc/02/31/03/333023103.db2.gz NWAQDVMZPGPLPV-MRXNPFEDSA-N 2 2 318.465 0.180 20 30 DCEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000534580519 334288951 /nfs/dbraw/zinc/28/89/51/334288951.db2.gz CUFIDJGABGHLMK-CQSZACIVSA-N 2 2 314.393 0.865 20 30 DCEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000534580519 334288952 /nfs/dbraw/zinc/28/89/52/334288952.db2.gz CUFIDJGABGHLMK-CQSZACIVSA-N 2 2 314.393 0.865 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000490617212 339835727 /nfs/dbraw/zinc/83/57/27/339835727.db2.gz NXUCAQVDBZTAJS-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP COc1ccc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000264063474 533988118 /nfs/dbraw/zinc/98/81/18/533988118.db2.gz DIPAVWZDKNVNLB-CYBMUJFWSA-N 2 2 308.382 0.115 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN(Cc2cc(C)on2)CC1 ZINC000261863778 526356149 /nfs/dbraw/zinc/35/61/49/526356149.db2.gz NIUYZHLOPYFOOS-UHFFFAOYSA-N 2 2 320.441 0.382 20 30 DCEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1C[N@H+](C)CCO1 ZINC000262861079 526414311 /nfs/dbraw/zinc/41/43/11/526414311.db2.gz ZIXKQOMLICCERO-ZDUSSCGKSA-N 2 2 308.430 0.033 20 30 DCEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262861079 526414314 /nfs/dbraw/zinc/41/43/14/526414314.db2.gz ZIXKQOMLICCERO-ZDUSSCGKSA-N 2 2 308.430 0.033 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000357570855 526422655 /nfs/dbraw/zinc/42/26/55/526422655.db2.gz KDYKGIBEYUPOSE-UHFFFAOYSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000357570855 526422664 /nfs/dbraw/zinc/42/26/64/526422664.db2.gz KDYKGIBEYUPOSE-UHFFFAOYSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246619598 526593124 /nfs/dbraw/zinc/59/31/24/526593124.db2.gz QKGMXHIGZVOCDL-CHWSQXEVSA-N 2 2 305.382 0.778 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246619598 526593126 /nfs/dbraw/zinc/59/31/26/526593126.db2.gz QKGMXHIGZVOCDL-CHWSQXEVSA-N 2 2 305.382 0.778 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372330896 527029660 /nfs/dbraw/zinc/02/96/60/527029660.db2.gz IHGIMLOVRPEYDY-OWCLPIDISA-N 2 2 306.454 0.082 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000372330896 527029662 /nfs/dbraw/zinc/02/96/62/527029662.db2.gz IHGIMLOVRPEYDY-OWCLPIDISA-N 2 2 306.454 0.082 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454772 660945558 /nfs/dbraw/zinc/94/55/58/660945558.db2.gz YVXSJLCINMIURG-CVEARBPZSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970439622 657509644 /nfs/dbraw/zinc/50/96/44/657509644.db2.gz KIAFZKWYJDNSNI-NWANDNLSSA-N 2 2 300.406 0.983 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972638896 658140685 /nfs/dbraw/zinc/14/06/85/658140685.db2.gz OPSZIUYEHOQIKQ-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972638896 658140687 /nfs/dbraw/zinc/14/06/87/658140687.db2.gz OPSZIUYEHOQIKQ-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638896 658140692 /nfs/dbraw/zinc/14/06/92/658140692.db2.gz OPSZIUYEHOQIKQ-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638896 658140695 /nfs/dbraw/zinc/14/06/95/658140695.db2.gz OPSZIUYEHOQIKQ-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000972006623 658152348 /nfs/dbraw/zinc/15/23/48/658152348.db2.gz SMEZVLIVBQXKTD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006623 658152354 /nfs/dbraw/zinc/15/23/54/658152354.db2.gz SMEZVLIVBQXKTD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006623 658152357 /nfs/dbraw/zinc/15/23/57/658152357.db2.gz SMEZVLIVBQXKTD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006623 658152360 /nfs/dbraw/zinc/15/23/60/658152360.db2.gz SMEZVLIVBQXKTD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448634 658788940 /nfs/dbraw/zinc/78/89/40/658788940.db2.gz BHHXMTKEGRUUJP-KRWDZBQOSA-N 2 2 317.433 0.551 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000972448634 658788945 /nfs/dbraw/zinc/78/89/45/658788945.db2.gz BHHXMTKEGRUUJP-KRWDZBQOSA-N 2 2 317.433 0.551 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466305 658825584 /nfs/dbraw/zinc/82/55/84/658825584.db2.gz QGGIASPFIRIPSW-INIZCTEOSA-N 2 2 304.394 0.681 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972466305 658825588 /nfs/dbraw/zinc/82/55/88/658825588.db2.gz QGGIASPFIRIPSW-INIZCTEOSA-N 2 2 304.394 0.681 20 30 DCEDLP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001000115256 665745868 /nfs/dbraw/zinc/74/58/68/665745868.db2.gz BJZXKLNJEFKXFG-MRXNPFEDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001000115256 665745870 /nfs/dbraw/zinc/74/58/70/665745870.db2.gz BJZXKLNJEFKXFG-MRXNPFEDSA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643495 661716322 /nfs/dbraw/zinc/71/63/22/661716322.db2.gz OVLPZKFGUPNOQW-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989670669 662970498 /nfs/dbraw/zinc/97/04/98/662970498.db2.gz DLDVHZOMRWUERH-INIZCTEOSA-N 2 2 307.438 0.512 20 30 DCEDLP N#Cc1ccc([C@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000903823564 663487292 /nfs/dbraw/zinc/48/72/92/663487292.db2.gz HQPFUVWSPWHAGG-QGZVFWFLSA-N 2 2 300.406 0.837 20 30 DCEDLP N#Cc1ccc([C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000903823564 663487294 /nfs/dbraw/zinc/48/72/94/663487294.db2.gz HQPFUVWSPWHAGG-QGZVFWFLSA-N 2 2 300.406 0.837 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567571 666020363 /nfs/dbraw/zinc/02/03/63/666020363.db2.gz XOLKJRQGQCHMJL-INIZCTEOSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567571 666020364 /nfs/dbraw/zinc/02/03/64/666020364.db2.gz XOLKJRQGQCHMJL-INIZCTEOSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001032827154 666207272 /nfs/dbraw/zinc/20/72/72/666207272.db2.gz LKJNVPFNIBMNKC-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001032827154 666207275 /nfs/dbraw/zinc/20/72/75/666207275.db2.gz LKJNVPFNIBMNKC-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC001032827154 666207277 /nfs/dbraw/zinc/20/72/77/666207277.db2.gz LKJNVPFNIBMNKC-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H]2CCCOC2)C1 ZINC001032827154 666207279 /nfs/dbraw/zinc/20/72/79/666207279.db2.gz LKJNVPFNIBMNKC-IKGGRYGDSA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032078280 666276627 /nfs/dbraw/zinc/27/66/27/666276627.db2.gz KILKGQKUGROVLR-UHFFFAOYSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC000995989443 666727896 /nfs/dbraw/zinc/72/78/96/666727896.db2.gz XAKJILSRCTZXSP-AWEZNQCLSA-N 2 2 304.394 0.810 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997347184 667249446 /nfs/dbraw/zinc/24/94/46/667249446.db2.gz XPTXHBPGMQYJAP-MRXNPFEDSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001035432941 667342103 /nfs/dbraw/zinc/34/21/03/667342103.db2.gz SVXIUAKBRLMTHQ-MRXNPFEDSA-N 2 2 312.373 0.788 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001035432941 667342104 /nfs/dbraw/zinc/34/21/04/667342104.db2.gz SVXIUAKBRLMTHQ-MRXNPFEDSA-N 2 2 312.373 0.788 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000884394910 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20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001567837066 1160495624 /nfs/dbraw/zinc/49/56/24/1160495624.db2.gz AOLHBKFKFQXQBS-HIFRSBDPSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001567837066 1160495627 /nfs/dbraw/zinc/49/56/27/1160495627.db2.gz AOLHBKFKFQXQBS-HIFRSBDPSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001568139392 1160582893 /nfs/dbraw/zinc/58/28/93/1160582893.db2.gz WROIKXIAPOCAHM-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001568139392 1160582897 /nfs/dbraw/zinc/58/28/97/1160582897.db2.gz WROIKXIAPOCAHM-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001568369686 1160637261 /nfs/dbraw/zinc/63/72/61/1160637261.db2.gz LZRZHENOXRMBAL-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001569595110 1161162232 /nfs/dbraw/zinc/16/22/32/1161162232.db2.gz CXVVCONLBWWHAI-AWEZNQCLSA-N 2 2 318.421 0.913 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)C1 ZINC001574673509 1163739196 /nfs/dbraw/zinc/73/91/96/1163739196.db2.gz MNWGKAPAWTWOHT-ZBFHGGJFSA-N 2 2 301.390 0.909 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)C1 ZINC001574673509 1163739197 /nfs/dbraw/zinc/73/91/97/1163739197.db2.gz MNWGKAPAWTWOHT-ZBFHGGJFSA-N 2 2 301.390 0.909 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001574902841 1163792588 /nfs/dbraw/zinc/79/25/88/1163792588.db2.gz HRIVXUBYQZBGFV-AWEZNQCLSA-N 2 2 306.414 0.106 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647247358 1172763486 /nfs/dbraw/zinc/76/34/86/1172763486.db2.gz FLOGWPLDPNULHL-PMPSAXMXSA-N 2 2 313.405 0.664 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647247358 1172763492 /nfs/dbraw/zinc/76/34/92/1172763492.db2.gz FLOGWPLDPNULHL-PMPSAXMXSA-N 2 2 313.405 0.664 20 30 DCEDLP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001650162435 1173490670 /nfs/dbraw/zinc/49/06/70/1173490670.db2.gz XLZZBMKRCYSKEB-XHSDSOJGSA-N 2 2 324.469 0.282 20 30 DCEDLP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001650162435 1173490676 /nfs/dbraw/zinc/49/06/76/1173490676.db2.gz XLZZBMKRCYSKEB-XHSDSOJGSA-N 2 2 324.469 0.282 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001660313420 1173976513 /nfs/dbraw/zinc/97/65/13/1173976513.db2.gz LLIMBVKDAAXKQU-CQSZACIVSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)CCCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001660313420 1173976518 /nfs/dbraw/zinc/97/65/18/1173976518.db2.gz LLIMBVKDAAXKQU-CQSZACIVSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001661618493 1174140547 /nfs/dbraw/zinc/14/05/47/1174140547.db2.gz SOQOGSWDGMHTBE-KFWWJZLASA-N 2 2 318.421 0.885 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nncs1 ZINC001666562908 1174610778 /nfs/dbraw/zinc/61/07/78/1174610778.db2.gz CYXPSKDUFQJFPH-STQMWFEESA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nncs1 ZINC001666562908 1174610783 /nfs/dbraw/zinc/61/07/83/1174610783.db2.gz CYXPSKDUFQJFPH-STQMWFEESA-N 2 2 321.450 0.478 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001672210083 1175088770 /nfs/dbraw/zinc/08/87/70/1175088770.db2.gz SEUDPPZIWBWURC-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001672210083 1175088779 /nfs/dbraw/zinc/08/87/79/1175088779.db2.gz SEUDPPZIWBWURC-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001672321727 1175099768 /nfs/dbraw/zinc/09/97/68/1175099768.db2.gz UOAUXRYBWPFXDG-KBPBESRZSA-N 2 2 304.394 0.286 20 30 DCEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001673695840 1175225340 /nfs/dbraw/zinc/22/53/40/1175225340.db2.gz XCNZVWDDOZDCIF-WBVHZDCISA-N 2 2 318.421 0.801 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001674085168 1175251083 /nfs/dbraw/zinc/25/10/83/1175251083.db2.gz LFZHAWIZXZWWIJ-CQSZACIVSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001674080397 1175251778 /nfs/dbraw/zinc/25/17/78/1175251778.db2.gz OKZXBZBIESTXAY-UHFFFAOYSA-N 2 2 304.394 0.309 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001674080397 1175251782 /nfs/dbraw/zinc/25/17/82/1175251782.db2.gz OKZXBZBIESTXAY-UHFFFAOYSA-N 2 2 304.394 0.309 20 30 DCEDLP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001677346292 1175559007 /nfs/dbraw/zinc/55/90/07/1175559007.db2.gz HAPOOOJSLCMLKE-OAHLLOKOSA-N 2 2 318.421 0.750 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001688905120 1176652261 /nfs/dbraw/zinc/65/22/61/1176652261.db2.gz KXOWFKUEJUWZDO-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH+]1CCN(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001690080817 1177164388 /nfs/dbraw/zinc/16/43/88/1177164388.db2.gz KTGIJXCZUPIMMF-UHFFFAOYSA-N 2 2 317.437 0.420 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OCC ZINC001692031536 1177405108 /nfs/dbraw/zinc/40/51/08/1177405108.db2.gz GVCWVKXZKMGKTE-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001692031536 1177405111 /nfs/dbraw/zinc/40/51/11/1177405111.db2.gz GVCWVKXZKMGKTE-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692294732 1177476626 /nfs/dbraw/zinc/47/66/26/1177476626.db2.gz ZGGUDJQNDXNBKZ-CVEARBPZSA-N 2 2 318.421 0.866 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001692294732 1177476629 /nfs/dbraw/zinc/47/66/29/1177476629.db2.gz ZGGUDJQNDXNBKZ-CVEARBPZSA-N 2 2 318.421 0.866 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1conc1C ZINC001699273528 1178017205 /nfs/dbraw/zinc/01/72/05/1178017205.db2.gz XDFCJGLLAQLLAB-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1conc1C ZINC001699273528 1178017213 /nfs/dbraw/zinc/01/72/13/1178017213.db2.gz XDFCJGLLAQLLAB-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001699741433 1178272674 /nfs/dbraw/zinc/27/26/74/1178272674.db2.gz UNMMUKUFJWDHPQ-HUUCEWRRSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001699763262 1178278861 /nfs/dbraw/zinc/27/88/61/1178278861.db2.gz XYGZNWMAWSPDLL-STQMWFEESA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001700156493 1178503611 /nfs/dbraw/zinc/50/36/11/1178503611.db2.gz YGLWIRCTMLTYGC-HOCLYGCPSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC001700576112 1178664633 /nfs/dbraw/zinc/66/46/33/1178664633.db2.gz NMHANRKKNLOBOO-INIZCTEOSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C(C)(C)C1 ZINC001700576112 1178664635 /nfs/dbraw/zinc/66/46/35/1178664635.db2.gz NMHANRKKNLOBOO-INIZCTEOSA-N 2 2 321.465 0.949 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001707059334 1180406134 /nfs/dbraw/zinc/40/61/34/1180406134.db2.gz FKUSUKHWLHWLEU-CQSZACIVSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001707059334 1180406136 /nfs/dbraw/zinc/40/61/36/1180406136.db2.gz FKUSUKHWLHWLEU-CQSZACIVSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001707059334 1180406139 /nfs/dbraw/zinc/40/61/39/1180406139.db2.gz FKUSUKHWLHWLEU-CQSZACIVSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001707059334 1180406141 /nfs/dbraw/zinc/40/61/41/1180406141.db2.gz FKUSUKHWLHWLEU-CQSZACIVSA-N 2 2 310.442 0.162 20 30 DCEDLP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001713097769 1180681017 /nfs/dbraw/zinc/68/10/17/1180681017.db2.gz ZPWXMWXWRAGOBL-OAHLLOKOSA-N 2 2 316.405 0.573 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001713871137 1181122841 /nfs/dbraw/zinc/12/28/41/1181122841.db2.gz DRTREXDBMLJKBB-HNNXBMFYSA-N 2 2 304.394 0.407 20 30 DCEDLP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001714969595 1181620957 /nfs/dbraw/zinc/62/09/57/1181620957.db2.gz OSTBZGNLOTUTRG-HNNXBMFYSA-N 2 2 318.421 0.696 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001715111342 1181691601 /nfs/dbraw/zinc/69/16/01/1181691601.db2.gz FIAYXDOOSPACAA-GUYCJALGSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001715480364 1181823699 /nfs/dbraw/zinc/82/36/99/1181823699.db2.gz UKFFQWUDGUXDAW-GJZGRUSLSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001716003282 1182139156 /nfs/dbraw/zinc/13/91/56/1182139156.db2.gz JFGKSUMQHXGGCX-WCQYABFASA-N 2 2 319.409 0.142 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001716092309 1182185744 /nfs/dbraw/zinc/18/57/44/1182185744.db2.gz DEPQARJLVHNGFO-ZDUSSCGKSA-N 2 2 302.378 0.981 20 30 DCEDLP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659791 1182484824 /nfs/dbraw/zinc/48/48/24/1182484824.db2.gz GYUCPLAPYFGDET-DLBZAZTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659791 1182484830 /nfs/dbraw/zinc/48/48/30/1182484830.db2.gz GYUCPLAPYFGDET-DLBZAZTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC#CCOC)C1 ZINC001716659791 1182484835 /nfs/dbraw/zinc/48/48/35/1182484835.db2.gz GYUCPLAPYFGDET-DLBZAZTESA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[NH+]1CCC[C@H](C(=O)NC[C@H]2CC[N@H+]2CC#CCOC)C1 ZINC001716659791 1182484837 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ZZZJSWWJMOZFPO-KFWWJZLASA-N 2 2 318.425 0.290 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109068011 761224340 /nfs/dbraw/zinc/22/43/40/761224340.db2.gz OFELGFKKGYYGRQ-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109068011 761224341 /nfs/dbraw/zinc/22/43/41/761224341.db2.gz OFELGFKKGYYGRQ-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001109068011 761224345 /nfs/dbraw/zinc/22/43/45/761224345.db2.gz OFELGFKKGYYGRQ-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001109068011 761224348 /nfs/dbraw/zinc/22/43/48/761224348.db2.gz OFELGFKKGYYGRQ-FXUDXRNXSA-N 2 2 305.422 0.452 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1c1cn(C)cn1 ZINC001070540712 761300389 /nfs/dbraw/zinc/30/03/89/761300389.db2.gz FLBZLLDBJGTECX-DZGCQCFKSA-N 2 2 314.393 0.456 20 30 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304.394 0.502 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544900 765563639 /nfs/dbraw/zinc/56/36/39/765563639.db2.gz JXRUBDMKPUYKGE-ZIAGYGMSSA-N 2 2 306.410 0.865 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544900 765563645 /nfs/dbraw/zinc/56/36/45/765563645.db2.gz JXRUBDMKPUYKGE-ZIAGYGMSSA-N 2 2 306.410 0.865 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001086735524 765942859 /nfs/dbraw/zinc/94/28/59/765942859.db2.gz ANXPUGXORFYNGC-RRFJBIMHSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090524174 766052401 /nfs/dbraw/zinc/05/24/01/766052401.db2.gz XBZNSJPGBITJLZ-ZIAGYGMSSA-N 2 2 305.378 0.139 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090524174 766052407 /nfs/dbraw/zinc/05/24/07/766052407.db2.gz XBZNSJPGBITJLZ-ZIAGYGMSSA-N 2 2 305.378 0.139 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090618036 766384017 /nfs/dbraw/zinc/38/40/17/766384017.db2.gz ZMWCRVLHPCRFLZ-KGLIPLIRSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090618036 766384027 /nfs/dbraw/zinc/38/40/27/766384027.db2.gz ZMWCRVLHPCRFLZ-KGLIPLIRSA-N 2 2 304.394 0.191 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107335 766532371 /nfs/dbraw/zinc/53/23/71/766532371.db2.gz DOFLOZDUDRETGJ-YVSFHVDLSA-N 2 2 319.449 0.700 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107335 766532378 /nfs/dbraw/zinc/53/23/78/766532378.db2.gz DOFLOZDUDRETGJ-YVSFHVDLSA-N 2 2 319.449 0.700 20 30 DCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001119301268 766629684 /nfs/dbraw/zinc/62/96/84/766629684.db2.gz WNXXYGRMTNERLO-OAHLLOKOSA-N 2 2 316.409 0.184 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146459132 767461533 /nfs/dbraw/zinc/46/15/33/767461533.db2.gz XVFIUACVRQFZPD-UHFFFAOYSA-N 2 2 312.373 0.842 20 30 DCEDLP COCC#CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835653 767644819 /nfs/dbraw/zinc/64/48/19/767644819.db2.gz RKMLOOXICWHEEV-UHFFFAOYSA-N 2 2 316.405 0.619 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202856323 768432892 /nfs/dbraw/zinc/43/28/92/768432892.db2.gz RTAIORLSASLOEL-CQSZACIVSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202856323 768432898 /nfs/dbraw/zinc/43/28/98/768432898.db2.gz RTAIORLSASLOEL-CQSZACIVSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203058833 768541839 /nfs/dbraw/zinc/54/18/39/768541839.db2.gz MUEIQKMPIHYLEM-LBPRGKRZSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368897 769240420 /nfs/dbraw/zinc/24/04/20/769240420.db2.gz PUKNMOGCCXLOEM-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368897 769240427 /nfs/dbraw/zinc/24/04/27/769240427.db2.gz PUKNMOGCCXLOEM-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231368897 769240435 /nfs/dbraw/zinc/24/04/35/769240435.db2.gz PUKNMOGCCXLOEM-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231368897 769240440 /nfs/dbraw/zinc/24/04/40/769240440.db2.gz PUKNMOGCCXLOEM-HUUCEWRRSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174691139 769780365 /nfs/dbraw/zinc/78/03/65/769780365.db2.gz HXPACCOVHRXRFI-LBPRGKRZSA-N 2 2 307.398 0.047 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235335160 769813824 /nfs/dbraw/zinc/81/38/24/769813824.db2.gz KQFXMIVJADGGFG-GDBMZVCRSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235335160 769813837 /nfs/dbraw/zinc/81/38/37/769813837.db2.gz KQFXMIVJADGGFG-GDBMZVCRSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393906 769832278 /nfs/dbraw/zinc/83/22/78/769832278.db2.gz RKPONSDRKVBKHP-HNNXBMFYSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393906 769832289 /nfs/dbraw/zinc/83/22/89/769832289.db2.gz RKPONSDRKVBKHP-HNNXBMFYSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235393906 769832303 /nfs/dbraw/zinc/83/23/03/769832303.db2.gz RKPONSDRKVBKHP-HNNXBMFYSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235393906 769832314 /nfs/dbraw/zinc/83/23/14/769832314.db2.gz RKPONSDRKVBKHP-HNNXBMFYSA-N 2 2 322.453 0.306 20 30 DCEDLP C[C@H]1CN(O)C(=O)[C@H]1Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001160176410 772004519 /nfs/dbraw/zinc/00/45/19/772004519.db2.gz QEVXHXUHJGMHOY-FZMZJTMJSA-N 2 2 305.382 0.481 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221465 772017242 /nfs/dbraw/zinc/01/72/42/772017242.db2.gz KZXYGFPMSOCLOA-CHWSQXEVSA-N 2 2 319.409 0.081 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001160380145 772029984 /nfs/dbraw/zinc/02/99/84/772029984.db2.gz BSPACOZLPJALEB-INIZCTEOSA-N 2 2 318.425 0.201 20 30 DCEDLP C#C[C@](C)([NH3+])C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001160380145 772029987 /nfs/dbraw/zinc/02/99/87/772029987.db2.gz BSPACOZLPJALEB-INIZCTEOSA-N 2 2 318.425 0.201 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300112 772198949 /nfs/dbraw/zinc/19/89/49/772198949.db2.gz FANARSXRJCRCGU-AWEZNQCLSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161316545 772203232 /nfs/dbraw/zinc/20/32/32/772203232.db2.gz WJWRJVGEXGFVCH-CQSZACIVSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187987654 772254883 /nfs/dbraw/zinc/25/48/83/772254883.db2.gz FHEQGXSMXPQVMU-HZPDHXFCSA-N 2 2 307.438 0.864 20 30 DCEDLP N#CCc1cc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc[nH+]1 ZINC001163120762 772467447 /nfs/dbraw/zinc/46/74/47/772467447.db2.gz VNWCIVKBLWPRJH-UHFFFAOYSA-N 2 2 310.361 0.232 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165836501 772765905 /nfs/dbraw/zinc/76/59/05/772765905.db2.gz PQHBFRNFUTVEOG-CQSZACIVSA-N 2 2 300.406 0.955 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632403 772794993 /nfs/dbraw/zinc/79/49/93/772794993.db2.gz IPOQZVVBTRMYIU-OAHLLOKOSA-N 2 2 304.394 0.456 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632403 772794996 /nfs/dbraw/zinc/79/49/96/772794996.db2.gz IPOQZVVBTRMYIU-OAHLLOKOSA-N 2 2 304.394 0.456 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)C)C[C@H]1O ZINC001193849895 773120116 /nfs/dbraw/zinc/12/01/16/773120116.db2.gz QHUZRAZDUCDMHA-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1O ZINC001193849895 773120119 /nfs/dbraw/zinc/12/01/19/773120119.db2.gz QHUZRAZDUCDMHA-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@H]1O ZINC001193849895 773120121 /nfs/dbraw/zinc/12/01/21/773120121.db2.gz QHUZRAZDUCDMHA-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)C[C@H]1O ZINC001193849895 773120125 /nfs/dbraw/zinc/12/01/25/773120125.db2.gz QHUZRAZDUCDMHA-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCC)C[C@H]1O ZINC001193848830 773120315 /nfs/dbraw/zinc/12/03/15/773120315.db2.gz CSEHEPYCLFOYIU-IXDOHACOSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@H]1O ZINC001193848830 773120317 /nfs/dbraw/zinc/12/03/17/773120317.db2.gz CSEHEPYCLFOYIU-IXDOHACOSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC)C[C@H]1O ZINC001193848830 773120320 /nfs/dbraw/zinc/12/03/20/773120320.db2.gz CSEHEPYCLFOYIU-IXDOHACOSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC)C[C@H]1O ZINC001193848830 773120323 /nfs/dbraw/zinc/12/03/23/773120323.db2.gz CSEHEPYCLFOYIU-IXDOHACOSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982172 773299374 /nfs/dbraw/zinc/29/93/74/773299374.db2.gz BVODJCPMHIGDFS-HUUCEWRRSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982172 773299377 /nfs/dbraw/zinc/29/93/77/773299377.db2.gz BVODJCPMHIGDFS-HUUCEWRRSA-N 2 2 307.438 0.293 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252843 773415024 /nfs/dbraw/zinc/41/50/24/773415024.db2.gz WSIPQNWKRRDOPM-HUUCEWRRSA-N 2 2 306.410 0.912 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252843 773415027 /nfs/dbraw/zinc/41/50/27/773415027.db2.gz 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DCEDLP C=CCN1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001273826302 948302004 /nfs/dbraw/zinc/30/20/04/948302004.db2.gz APNDXHLLICLCHZ-QGZVFWFLSA-N 2 2 307.438 0.818 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001327580849 948559056 /nfs/dbraw/zinc/55/90/56/948559056.db2.gz LNLICIDQVHEAME-MRXNPFEDSA-N 2 2 304.394 0.240 20 30 DCEDLP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001264080207 948873882 /nfs/dbraw/zinc/87/38/82/948873882.db2.gz IREMZNIGGSJUQI-HNNXBMFYSA-N 2 2 320.437 0.824 20 30 DCEDLP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001264080207 948873896 /nfs/dbraw/zinc/87/38/96/948873896.db2.gz IREMZNIGGSJUQI-HNNXBMFYSA-N 2 2 320.437 0.824 20 30 DCEDLP C=C(C)CC[NH+]1CC(CCO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001329681524 949776180 /nfs/dbraw/zinc/77/61/80/949776180.db2.gz KZIUKWDSJWASTH-UHFFFAOYSA-N 2 2 306.410 0.792 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001490440125 950659988 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20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001283618523 954490202 /nfs/dbraw/zinc/49/02/02/954490202.db2.gz VCCITNLSGKRXQG-WFASDCNBSA-N 2 2 319.409 0.412 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001366896726 955014611 /nfs/dbraw/zinc/01/46/11/955014611.db2.gz CVFXZVODFBVWHO-ZIAGYGMSSA-N 2 2 315.845 0.850 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001366896726 955014620 /nfs/dbraw/zinc/01/46/20/955014620.db2.gz CVFXZVODFBVWHO-ZIAGYGMSSA-N 2 2 315.845 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001366896726 955014624 /nfs/dbraw/zinc/01/46/24/955014624.db2.gz CVFXZVODFBVWHO-ZIAGYGMSSA-N 2 2 315.845 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001366896726 955014635 /nfs/dbraw/zinc/01/46/35/955014635.db2.gz CVFXZVODFBVWHO-ZIAGYGMSSA-N 2 2 315.845 0.850 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 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1015972766 /nfs/dbraw/zinc/97/27/66/1015972766.db2.gz AGIBFENOUKNBNG-JSGCOSHPSA-N 2 2 305.382 0.104 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001507089295 1015972780 /nfs/dbraw/zinc/97/27/80/1015972780.db2.gz AGIBFENOUKNBNG-JSGCOSHPSA-N 2 2 305.382 0.104 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001507239982 1016168987 /nfs/dbraw/zinc/16/89/87/1016168987.db2.gz PQYDNQVZXJOJDZ-QJPTWQEYSA-N 2 2 312.801 0.343 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001508025902 1016614121 /nfs/dbraw/zinc/61/41/21/1016614121.db2.gz BWFSULCCROMKBM-LBPRGKRZSA-N 2 2 321.425 0.375 20 30 DCEDLP C=CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001508045030 1016622832 /nfs/dbraw/zinc/62/28/32/1016622832.db2.gz GAGYFXCKBKMOEL-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001508045030 1016622843 /nfs/dbraw/zinc/62/28/43/1016622843.db2.gz GAGYFXCKBKMOEL-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001506845325 1017607218 /nfs/dbraw/zinc/60/72/18/1017607218.db2.gz RQKMQCQSUBNZBS-CABCVRRESA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001479712381 1017669255 /nfs/dbraw/zinc/66/92/55/1017669255.db2.gz UBJHVTRSYMRGIB-KGLIPLIRSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001479712381 1017669264 /nfs/dbraw/zinc/66/92/64/1017669264.db2.gz UBJHVTRSYMRGIB-KGLIPLIRSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001480507169 1018615781 /nfs/dbraw/zinc/61/57/81/1018615781.db2.gz JBSHYJDHUHSHGL-KFWWJZLASA-N 2 2 311.426 0.147 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001480651317 1018744511 /nfs/dbraw/zinc/74/45/11/1018744511.db2.gz JNNHLMAECLUHSU-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696550 239106027 /nfs/dbraw/zinc/10/60/27/239106027.db2.gz DFIUMYCQGBXQEV-LSDHHAIUSA-N 2 2 308.426 0.259 20 30 DCEDLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696550 239106032 /nfs/dbraw/zinc/10/60/32/239106032.db2.gz DFIUMYCQGBXQEV-LSDHHAIUSA-N 2 2 308.426 0.259 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000491616015 241127036 /nfs/dbraw/zinc/12/70/36/241127036.db2.gz HTKUTLJHASZGSS-WMLDXEAASA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@@H+](C)CCN3C)no2)CC1 ZINC000491618748 533150268 /nfs/dbraw/zinc/15/02/68/533150268.db2.gz LORXXEWVXFVBQJ-CQSZACIVSA-N 2 2 303.410 0.801 20 30 DCEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@H+](C)CCN3C)no2)CC1 ZINC000491618748 533150273 /nfs/dbraw/zinc/15/02/73/533150273.db2.gz LORXXEWVXFVBQJ-CQSZACIVSA-N 2 2 303.410 0.801 20 30 DCEDLP COCC[N@H+](C)CCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083034955 396312435 /nfs/dbraw/zinc/31/24/35/396312435.db2.gz HIYWMRSSACJMNA-AWEZNQCLSA-N 2 2 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ZINC000978404248 660534086 /nfs/dbraw/zinc/53/40/86/660534086.db2.gz HRAPACBSKFHXTL-QSPRXWTASA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978404248 660534087 /nfs/dbraw/zinc/53/40/87/660534087.db2.gz HRAPACBSKFHXTL-QSPRXWTASA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978711225 660590465 /nfs/dbraw/zinc/59/04/65/660590465.db2.gz QOMXKKFNCAHVJU-QCODTGAPSA-N 2 2 312.417 0.841 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978711225 660590467 /nfs/dbraw/zinc/59/04/67/660590467.db2.gz QOMXKKFNCAHVJU-QCODTGAPSA-N 2 2 312.417 0.841 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980224453 660894444 /nfs/dbraw/zinc/89/44/44/660894444.db2.gz ZHUVHOLXNIOVSG-SOUVJXGZSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980224453 660894445 /nfs/dbraw/zinc/89/44/45/660894445.db2.gz ZHUVHOLXNIOVSG-SOUVJXGZSA-N 2 2 300.406 0.813 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984901 661016827 /nfs/dbraw/zinc/01/68/27/661016827.db2.gz WEMYZZDWJVRVFX-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001027984901 661016828 /nfs/dbraw/zinc/01/68/28/661016828.db2.gz WEMYZZDWJVRVFX-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998810155 665534218 /nfs/dbraw/zinc/53/42/18/665534218.db2.gz CWBRSWNFWFYFFS-STQMWFEESA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998810155 665534224 /nfs/dbraw/zinc/53/42/24/665534224.db2.gz CWBRSWNFWFYFFS-STQMWFEESA-N 2 2 301.818 0.650 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972159795 658393058 /nfs/dbraw/zinc/39/30/58/658393058.db2.gz YYYNFMRKCFOEBR-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000972159795 658393063 /nfs/dbraw/zinc/39/30/63/658393063.db2.gz YYYNFMRKCFOEBR-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000972159795 658393078 /nfs/dbraw/zinc/39/30/78/658393078.db2.gz YYYNFMRKCFOEBR-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000972159795 658393085 /nfs/dbraw/zinc/39/30/85/658393085.db2.gz YYYNFMRKCFOEBR-SJORKVTESA-N 2 2 319.449 0.796 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295196 658533292 /nfs/dbraw/zinc/53/32/92/658533292.db2.gz ROLJHNMRZNUSQC-RDJZCZTQSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972295196 658533295 /nfs/dbraw/zinc/53/32/95/658533295.db2.gz ROLJHNMRZNUSQC-RDJZCZTQSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972295196 658533300 /nfs/dbraw/zinc/53/33/00/658533300.db2.gz ROLJHNMRZNUSQC-RDJZCZTQSA-N 2 2 305.422 0.407 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000972295196 658533303 /nfs/dbraw/zinc/53/33/03/658533303.db2.gz ROLJHNMRZNUSQC-RDJZCZTQSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374624 658635203 /nfs/dbraw/zinc/63/52/03/658635203.db2.gz QYBFUJPOYPCXCN-SJLPKXTDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374624 658635205 /nfs/dbraw/zinc/63/52/05/658635205.db2.gz QYBFUJPOYPCXCN-SJLPKXTDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374624 658635208 /nfs/dbraw/zinc/63/52/08/658635208.db2.gz QYBFUJPOYPCXCN-SJLPKXTDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374624 658635210 /nfs/dbraw/zinc/63/52/10/658635210.db2.gz QYBFUJPOYPCXCN-SJLPKXTDSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972381337 658644637 /nfs/dbraw/zinc/64/46/37/658644637.db2.gz POMAAKSKPVTAES-FUHWJXTLSA-N 2 2 319.449 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972381337 658644642 /nfs/dbraw/zinc/64/46/42/658644642.db2.gz POMAAKSKPVTAES-FUHWJXTLSA-N 2 2 319.449 0.818 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](CCC)CCO2 ZINC000972416498 658739751 /nfs/dbraw/zinc/73/97/51/658739751.db2.gz IXODOVMMWMDXMY-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](CCC)CCO2 ZINC000972416498 658739755 /nfs/dbraw/zinc/73/97/55/658739755.db2.gz IXODOVMMWMDXMY-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCC)CCO2 ZINC000972416498 658739758 /nfs/dbraw/zinc/73/97/58/658739758.db2.gz IXODOVMMWMDXMY-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](CCC)CCO2 ZINC000972416498 658739761 /nfs/dbraw/zinc/73/97/61/658739761.db2.gz IXODOVMMWMDXMY-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486037 658874897 /nfs/dbraw/zinc/87/48/97/658874897.db2.gz DQZCHCITAOICCV-QGZVFWFLSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972486037 658874903 /nfs/dbraw/zinc/87/49/03/658874903.db2.gz DQZCHCITAOICCV-QGZVFWFLSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)CCN2CC[NH+](CC)CC2)CC1 ZINC000725891478 659157317 /nfs/dbraw/zinc/15/73/17/659157317.db2.gz YEZMOOYCWIBFQO-UHFFFAOYSA-N 2 2 306.454 0.182 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738038 659654300 /nfs/dbraw/zinc/65/43/00/659654300.db2.gz CEQBNQGWDNQYRV-ZFWWWQNUSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738038 659654303 /nfs/dbraw/zinc/65/43/03/659654303.db2.gz CEQBNQGWDNQYRV-ZFWWWQNUSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975037683 659770221 /nfs/dbraw/zinc/77/02/21/659770221.db2.gz BOXRMEXWYJEJBL-UMVBOHGHSA-N 2 2 300.406 0.983 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000975037683 659770222 /nfs/dbraw/zinc/77/02/22/659770222.db2.gz BOXRMEXWYJEJBL-UMVBOHGHSA-N 2 2 300.406 0.983 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000940811782 665856715 /nfs/dbraw/zinc/85/67/15/665856715.db2.gz TYYNFBURVDPUIQ-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000940811782 665856716 /nfs/dbraw/zinc/85/67/16/665856716.db2.gz TYYNFBURVDPUIQ-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000940811782 665856719 /nfs/dbraw/zinc/85/67/19/665856719.db2.gz TYYNFBURVDPUIQ-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000940811782 665856722 /nfs/dbraw/zinc/85/67/22/665856722.db2.gz TYYNFBURVDPUIQ-LSDHHAIUSA-N 2 2 307.438 0.293 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000730125699 663045006 /nfs/dbraw/zinc/04/50/06/663045006.db2.gz QFWYHQXCPABSTE-CQSZACIVSA-N 2 2 310.442 0.657 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000730125699 663045007 /nfs/dbraw/zinc/04/50/07/663045007.db2.gz QFWYHQXCPABSTE-CQSZACIVSA-N 2 2 310.442 0.657 20 30 DCEDLP Cc1nn(CCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(=O)o1 ZINC000902716505 663429647 /nfs/dbraw/zinc/42/96/47/663429647.db2.gz GETFEMHNETVNPV-UHFFFAOYSA-N 2 2 319.365 0.543 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941443996 665995849 /nfs/dbraw/zinc/99/58/49/665995849.db2.gz ZJUPLLXQVNSBBW-MRXNPFEDSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443996 665995850 /nfs/dbraw/zinc/99/58/50/665995850.db2.gz ZJUPLLXQVNSBBW-MRXNPFEDSA-N 2 2 318.465 0.322 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688971 665289636 /nfs/dbraw/zinc/28/96/36/665289636.db2.gz OTKILLMXCIJDMH-KBPBESRZSA-N 2 2 313.829 0.650 20 30 DCEDLP C=C(Cl)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001031688971 665289638 /nfs/dbraw/zinc/28/96/38/665289638.db2.gz OTKILLMXCIJDMH-KBPBESRZSA-N 2 2 313.829 0.650 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997979271 665381954 /nfs/dbraw/zinc/38/19/54/665381954.db2.gz VRRMSISQLWHILN-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000997979271 665381955 /nfs/dbraw/zinc/38/19/55/665381955.db2.gz VRRMSISQLWHILN-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997979271 665381957 /nfs/dbraw/zinc/38/19/57/665381957.db2.gz VRRMSISQLWHILN-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997979271 665381960 /nfs/dbraw/zinc/38/19/60/665381960.db2.gz VRRMSISQLWHILN-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437119 665998526 /nfs/dbraw/zinc/99/85/26/665998526.db2.gz SDOXUONASXKNTN-QGZVFWFLSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032122903 666352421 /nfs/dbraw/zinc/35/24/21/666352421.db2.gz GHNRJCPKLQLHAZ-UHFFFAOYSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416536 666706711 /nfs/dbraw/zinc/70/67/11/666706711.db2.gz QDDORVCVAHDPCQ-CABCVRRESA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416536 666706712 /nfs/dbraw/zinc/70/67/12/666706712.db2.gz QDDORVCVAHDPCQ-CABCVRRESA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281223 666975574 /nfs/dbraw/zinc/97/55/74/666975574.db2.gz HTOXZZJWRCRXCC-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281223 666975577 /nfs/dbraw/zinc/97/55/77/666975577.db2.gz HTOXZZJWRCRXCC-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001035610216 667392014 /nfs/dbraw/zinc/39/20/14/667392014.db2.gz UWQIHQUZZGHNDI-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035610216 667392016 /nfs/dbraw/zinc/39/20/16/667392016.db2.gz UWQIHQUZZGHNDI-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035610216 667392018 /nfs/dbraw/zinc/39/20/18/667392018.db2.gz UWQIHQUZZGHNDI-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035610216 667392020 /nfs/dbraw/zinc/39/20/20/667392020.db2.gz UWQIHQUZZGHNDI-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035676716 667397807 /nfs/dbraw/zinc/39/78/07/667397807.db2.gz DMQAQYNTRTVVLH-HNNXBMFYSA-N 2 2 307.438 0.818 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035676716 667397808 /nfs/dbraw/zinc/39/78/08/667397808.db2.gz DMQAQYNTRTVVLH-HNNXBMFYSA-N 2 2 307.438 0.818 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000884373548 667533450 /nfs/dbraw/zinc/53/34/50/667533450.db2.gz PXNNTOXIFHYGIY-HNNXBMFYSA-N 2 2 308.426 0.106 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000884373548 667533453 /nfs/dbraw/zinc/53/34/53/667533453.db2.gz PXNNTOXIFHYGIY-HNNXBMFYSA-N 2 2 308.426 0.106 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000884373548 667533455 /nfs/dbraw/zinc/53/34/55/667533455.db2.gz PXNNTOXIFHYGIY-HNNXBMFYSA-N 2 2 308.426 0.106 20 30 DCEDLP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cccc(C#N)c1=O ZINC000872632002 667920795 /nfs/dbraw/zinc/92/07/95/667920795.db2.gz QNKLYXBKWLDYQP-UHFFFAOYSA-N 2 2 318.421 0.968 20 30 DCEDLP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1cccc(C#N)c1=O ZINC000872632002 667920797 /nfs/dbraw/zinc/92/07/97/667920797.db2.gz QNKLYXBKWLDYQP-UHFFFAOYSA-N 2 2 318.421 0.968 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876764910 668505943 /nfs/dbraw/zinc/50/59/43/668505943.db2.gz PEAIPHCZCYRZPO-OCCSQVGLSA-N 3 2 314.861 0.741 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876764910 668505945 /nfs/dbraw/zinc/50/59/45/668505945.db2.gz PEAIPHCZCYRZPO-OCCSQVGLSA-N 3 2 314.861 0.741 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000876903134 668531886 /nfs/dbraw/zinc/53/18/86/668531886.db2.gz LICIPXWDJVIOMI-VXGBXAGGSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000876903134 668531890 /nfs/dbraw/zinc/53/18/90/668531890.db2.gz LICIPXWDJVIOMI-VXGBXAGGSA-N 2 2 317.817 0.552 20 30 DCEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]OCC(N)=O)CC1 ZINC000771580691 668743236 /nfs/dbraw/zinc/74/32/36/668743236.db2.gz ZRSMEGMOMBYHFP-UHFFFAOYSA-N 2 2 310.785 0.928 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036866529 670229517 /nfs/dbraw/zinc/22/95/17/670229517.db2.gz GMVCAGYGANRXBR-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036866529 670229521 /nfs/dbraw/zinc/22/95/21/670229521.db2.gz GMVCAGYGANRXBR-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001753716706 1158058687 /nfs/dbraw/zinc/05/86/87/1158058687.db2.gz ZOOPYJBMXGOACL-KGLIPLIRSA-N 2 2 306.410 0.675 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001753716706 1158058690 /nfs/dbraw/zinc/05/86/90/1158058690.db2.gz ZOOPYJBMXGOACL-KGLIPLIRSA-N 2 2 306.410 0.675 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591585 685399462 /nfs/dbraw/zinc/39/94/62/685399462.db2.gz PQHOOKWUCMWLCW-HNNXBMFYSA-N 2 2 321.469 0.459 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001020250524 693746160 /nfs/dbraw/zinc/74/61/60/693746160.db2.gz HKHZLDITLCFGMX-IHRRRGAJSA-N 2 2 317.393 0.212 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001020250524 693746163 /nfs/dbraw/zinc/74/61/63/693746163.db2.gz HKHZLDITLCFGMX-IHRRRGAJSA-N 2 2 317.393 0.212 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001020250859 693746175 /nfs/dbraw/zinc/74/61/75/693746175.db2.gz UWRUJEQDLJBDQN-OBJOEFQTSA-N 2 2 319.434 0.373 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2csnn2)C1 ZINC001020250859 693746176 /nfs/dbraw/zinc/74/61/76/693746176.db2.gz UWRUJEQDLJBDQN-OBJOEFQTSA-N 2 2 319.434 0.373 20 30 DCEDLP CC(C)(C)[S@](=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304751994 685211883 /nfs/dbraw/zinc/21/18/83/685211883.db2.gz 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C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001677497003 1175570068 /nfs/dbraw/zinc/57/00/68/1175570068.db2.gz KZJHMJSGLPLBMN-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001688905429 1176651737 /nfs/dbraw/zinc/65/17/37/1176651737.db2.gz VLIPDRASETXDKG-KFWWJZLASA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001689072730 1176689764 /nfs/dbraw/zinc/68/97/64/1176689764.db2.gz OSFGSGDAUBBWAQ-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001692315212 1177483095 /nfs/dbraw/zinc/48/30/95/1177483095.db2.gz MWVVWDGKCIMMBT-HNNXBMFYSA-N 2 2 318.421 0.696 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001692315399 1177483512 /nfs/dbraw/zinc/48/35/12/1177483512.db2.gz RXXATHKWNGIWKX-GXTWGEPZSA-N 2 2 310.442 0.065 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnns1 ZINC001698603181 1177579596 /nfs/dbraw/zinc/57/95/96/1177579596.db2.gz XDEAXXGGSNCMHF-JSGCOSHPSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnns1 ZINC001698603181 1177579599 /nfs/dbraw/zinc/57/95/99/1177579599.db2.gz XDEAXXGGSNCMHF-JSGCOSHPSA-N 2 2 321.450 0.620 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001698905913 1177716286 /nfs/dbraw/zinc/71/62/86/1177716286.db2.gz OSRDIRCTKUMTQF-UKRRQHHQSA-N 2 2 318.421 0.737 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCC=C)C1 ZINC001699916142 1178374935 /nfs/dbraw/zinc/37/49/35/1178374935.db2.gz NZCJHXXDAJGOOM-HNNXBMFYSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CCCC=C)C1 ZINC001699916142 1178374940 /nfs/dbraw/zinc/37/49/40/1178374940.db2.gz NZCJHXXDAJGOOM-HNNXBMFYSA-N 2 2 305.422 0.213 20 30 DCEDLP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001700065582 1178467423 /nfs/dbraw/zinc/46/74/23/1178467423.db2.gz MQOJEZAZEMLJTN-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001700065582 1178467424 /nfs/dbraw/zinc/46/74/24/1178467424.db2.gz MQOJEZAZEMLJTN-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001700260742 1178558588 /nfs/dbraw/zinc/55/85/88/1178558588.db2.gz QCSOERJAQVMDMF-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001700260742 1178558598 /nfs/dbraw/zinc/55/85/98/1178558598.db2.gz QCSOERJAQVMDMF-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001700260741 1178558913 /nfs/dbraw/zinc/55/89/13/1178558913.db2.gz QCSOERJAQVMDMF-HIFRSBDPSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001700260741 1178558920 /nfs/dbraw/zinc/55/89/20/1178558920.db2.gz QCSOERJAQVMDMF-HIFRSBDPSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001700608782 1178678226 /nfs/dbraw/zinc/67/82/26/1178678226.db2.gz UPVQGTOQANKUJS-HIFRSBDPSA-N 2 2 304.394 0.191 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001700753750 1178731858 /nfs/dbraw/zinc/73/18/58/1178731858.db2.gz HDEYMQBHBORVKL-BFHYXJOUSA-N 2 2 304.394 0.600 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001700753750 1178731861 /nfs/dbraw/zinc/73/18/61/1178731861.db2.gz HDEYMQBHBORVKL-BFHYXJOUSA-N 2 2 304.394 0.600 20 30 DCEDLP C#CC[NH+]1CCN(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001713074771 1180667337 /nfs/dbraw/zinc/66/73/37/1180667337.db2.gz IBEAFRMSFUJOKX-OAHLLOKOSA-N 2 2 312.433 0.033 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001713234345 1180731910 /nfs/dbraw/zinc/73/19/10/1180731910.db2.gz LSQXOWSNFBNAFM-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001713454545 1180832600 /nfs/dbraw/zinc/83/26/00/1180832600.db2.gz PWJIUONVKXOIQJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001713454545 1180832610 /nfs/dbraw/zinc/83/26/10/1180832610.db2.gz PWJIUONVKXOIQJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001713454545 1180832617 /nfs/dbraw/zinc/83/26/17/1180832617.db2.gz PWJIUONVKXOIQJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001713454545 1180832624 /nfs/dbraw/zinc/83/26/24/1180832624.db2.gz PWJIUONVKXOIQJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCc1ccns1 ZINC001713456524 1180837864 /nfs/dbraw/zinc/83/78/64/1180837864.db2.gz SICIQLGYPQPPSP-HNNXBMFYSA-N 2 2 320.462 0.831 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1ccns1 ZINC001713456524 1180837875 /nfs/dbraw/zinc/83/78/75/1180837875.db2.gz SICIQLGYPQPPSP-HNNXBMFYSA-N 2 2 320.462 0.831 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1ccns1 ZINC001713456524 1180837887 /nfs/dbraw/zinc/83/78/87/1180837887.db2.gz SICIQLGYPQPPSP-HNNXBMFYSA-N 2 2 320.462 0.831 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1ccns1 ZINC001713456524 1180837899 /nfs/dbraw/zinc/83/78/99/1180837899.db2.gz SICIQLGYPQPPSP-HNNXBMFYSA-N 2 2 320.462 0.831 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713457872 1180839459 /nfs/dbraw/zinc/83/94/59/1180839459.db2.gz QGQSHBVQJPOHSO-UHFFFAOYSA-N 2 2 300.362 0.874 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713457872 1180839470 /nfs/dbraw/zinc/83/94/70/1180839470.db2.gz QGQSHBVQJPOHSO-UHFFFAOYSA-N 2 2 300.362 0.874 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713473027 1180852292 /nfs/dbraw/zinc/85/22/92/1180852292.db2.gz NTBKRTHMMNXVDE-GJZGRUSLSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713473027 1180852296 /nfs/dbraw/zinc/85/22/96/1180852296.db2.gz NTBKRTHMMNXVDE-GJZGRUSLSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001713800951 1181076924 /nfs/dbraw/zinc/07/69/24/1181076924.db2.gz YMIAYXHKYYIDCX-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001713800951 1181076926 /nfs/dbraw/zinc/07/69/26/1181076926.db2.gz YMIAYXHKYYIDCX-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001713800951 1181076930 /nfs/dbraw/zinc/07/69/30/1181076930.db2.gz YMIAYXHKYYIDCX-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001713800951 1181076935 /nfs/dbraw/zinc/07/69/35/1181076935.db2.gz YMIAYXHKYYIDCX-QLFBSQMISA-N 2 2 322.453 0.352 20 30 DCEDLP CC#CCN1CC[NH+](CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001713800465 1181077062 /nfs/dbraw/zinc/07/70/62/1181077062.db2.gz VGCRUTYSDGJRQI-UHFFFAOYSA-N 2 2 317.437 0.420 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001714024935 1181209444 /nfs/dbraw/zinc/20/94/44/1181209444.db2.gz KCVUQKVXTGYJDJ-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001714024935 1181209452 /nfs/dbraw/zinc/20/94/52/1181209452.db2.gz KCVUQKVXTGYJDJ-HUUCEWRRSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001714557475 1181415238 /nfs/dbraw/zinc/41/52/38/1181415238.db2.gz IKVHVIFMQHYOTO-KBPBESRZSA-N 2 2 310.442 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714557475 1181415239 /nfs/dbraw/zinc/41/52/39/1181415239.db2.gz IKVHVIFMQHYOTO-KBPBESRZSA-N 2 2 310.442 0.067 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714557475 1181415242 /nfs/dbraw/zinc/41/52/42/1181415242.db2.gz IKVHVIFMQHYOTO-KBPBESRZSA-N 2 2 310.442 0.067 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001714557475 1181415243 /nfs/dbraw/zinc/41/52/43/1181415243.db2.gz IKVHVIFMQHYOTO-KBPBESRZSA-N 2 2 310.442 0.067 20 30 DCEDLP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC#CCOC ZINC001715077357 1181683350 /nfs/dbraw/zinc/68/33/50/1181683350.db2.gz RVBSWCBSRGPNOU-GJZGRUSLSA-N 2 2 306.410 0.968 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001715111345 1181691703 /nfs/dbraw/zinc/69/17/03/1181691703.db2.gz FIAYXDOOSPACAA-SUMWQHHRSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001715427012 1181810634 /nfs/dbraw/zinc/81/06/34/1181810634.db2.gz WSZJDSVCCXKOCH-GOEBONIOSA-N 2 2 318.421 0.439 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC2CC2)C1 ZINC001716920507 1182573977 /nfs/dbraw/zinc/57/39/77/1182573977.db2.gz WYJIRUMKZPBNJM-DOTOQJQBSA-N 2 2 305.422 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CC2CC2)C1 ZINC001716920507 1182573980 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CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083169037 757541347 /nfs/dbraw/zinc/54/13/47/757541347.db2.gz ZLZDTMVPXZWSAT-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083169037 757541352 /nfs/dbraw/zinc/54/13/52/757541352.db2.gz ZLZDTMVPXZWSAT-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663687 757957989 /nfs/dbraw/zinc/95/79/89/757957989.db2.gz NWSBTVQZFSCMAX-ZMSDIMECSA-N 2 2 312.417 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663687 757957994 /nfs/dbraw/zinc/95/79/94/757957994.db2.gz NWSBTVQZFSCMAX-ZMSDIMECSA-N 2 2 312.417 0.920 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001085731606 759245680 /nfs/dbraw/zinc/24/56/80/759245680.db2.gz FZYOVMLGDIUNQO-GWUWNPHMSA-N 2 2 303.406 0.016 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 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C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871644 763090397 /nfs/dbraw/zinc/09/03/97/763090397.db2.gz INKZWBWZXNOKFI-CABCVRRESA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871644 763090402 /nfs/dbraw/zinc/09/04/02/763090402.db2.gz INKZWBWZXNOKFI-CABCVRRESA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939450 763145351 /nfs/dbraw/zinc/14/53/51/763145351.db2.gz GAZTWDDAAZZBFH-GJZGRUSLSA-N 2 2 322.409 0.027 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939450 763145355 /nfs/dbraw/zinc/14/53/55/763145355.db2.gz GAZTWDDAAZZBFH-GJZGRUSLSA-N 2 2 322.409 0.027 20 30 DCEDLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)O1 ZINC001130180740 763157059 /nfs/dbraw/zinc/15/70/59/763157059.db2.gz WOPQKTPRUSHCTQ-CZUORRHYSA-N 2 2 316.405 0.483 20 30 DCEDLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)O1 ZINC001130180740 763157065 /nfs/dbraw/zinc/15/70/65/763157065.db2.gz WOPQKTPRUSHCTQ-CZUORRHYSA-N 2 2 316.405 0.483 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528750 763634593 /nfs/dbraw/zinc/63/45/93/763634593.db2.gz QKUJKVVYPNVWEO-UHFFFAOYSA-N 2 2 318.421 0.487 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131388146 763794412 /nfs/dbraw/zinc/79/44/12/763794412.db2.gz GCVQOJJAAAMTGU-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001131388146 763794418 /nfs/dbraw/zinc/79/44/18/763794418.db2.gz GCVQOJJAAAMTGU-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)c1nccn12 ZINC001101639785 764213522 /nfs/dbraw/zinc/21/35/22/764213522.db2.gz NIJIPMBWNKDFPS-AWEZNQCLSA-N 2 2 317.437 0.983 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132178980 764295036 /nfs/dbraw/zinc/29/50/36/764295036.db2.gz ZGNURRJXFVVQPZ-GOEBONIOSA-N 2 2 318.421 0.810 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132178980 764295040 /nfs/dbraw/zinc/29/50/40/764295040.db2.gz ZGNURRJXFVVQPZ-GOEBONIOSA-N 2 2 318.421 0.810 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441089 764462125 /nfs/dbraw/zinc/46/21/25/764462125.db2.gz KJBWHZLTIICJFC-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441089 764462127 /nfs/dbraw/zinc/46/21/27/764462127.db2.gz KJBWHZLTIICJFC-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441089 764462130 /nfs/dbraw/zinc/46/21/30/764462130.db2.gz KJBWHZLTIICJFC-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441089 764462132 /nfs/dbraw/zinc/46/21/32/764462132.db2.gz KJBWHZLTIICJFC-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114974328 765542421 /nfs/dbraw/zinc/54/24/21/765542421.db2.gz CUXIWMGKPGTPBK-NHAGDIPZSA-N 2 2 313.829 0.508 20 30 DCEDLP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114974328 765542427 /nfs/dbraw/zinc/54/24/27/765542427.db2.gz CUXIWMGKPGTPBK-NHAGDIPZSA-N 2 2 313.829 0.508 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1=O ZINC001134499180 765547104 /nfs/dbraw/zinc/54/71/04/765547104.db2.gz XUZKCPAPDOTKMU-ZIAGYGMSSA-N 2 2 319.409 0.327 20 30 DCEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC001116397085 765867818 /nfs/dbraw/zinc/86/78/18/765867818.db2.gz ZWACUDHQPJMWKG-UHFFFAOYSA-N 2 2 307.442 0.117 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC001144935091 767261187 /nfs/dbraw/zinc/26/11/87/767261187.db2.gz AOPLQMJTEVSWBF-MRXNPFEDSA-N 2 2 303.406 0.895 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124567 767764490 /nfs/dbraw/zinc/76/44/90/767764490.db2.gz UYRTWMOLXRXHMB-UHFFFAOYSA-N 2 2 321.425 0.391 20 30 DCEDLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001125213179 768374952 /nfs/dbraw/zinc/37/49/52/768374952.db2.gz CHEHTXOHRZSKQB-HNNXBMFYSA-N 2 2 320.368 0.234 20 30 DCEDLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001125213179 768374960 /nfs/dbraw/zinc/37/49/60/768374960.db2.gz CHEHTXOHRZSKQB-HNNXBMFYSA-N 2 2 320.368 0.234 20 30 DCEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001093517172 768596023 /nfs/dbraw/zinc/59/60/23/768596023.db2.gz XIXKUVLEMVNBKB-QGZVFWFLSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093517172 768596026 /nfs/dbraw/zinc/59/60/26/768596026.db2.gz XIXKUVLEMVNBKB-QGZVFWFLSA-N 2 2 319.449 0.796 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053381 768933265 /nfs/dbraw/zinc/93/32/65/768933265.db2.gz IMJISMHLKOLUMK-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150053381 768933268 /nfs/dbraw/zinc/93/32/68/768933268.db2.gz IMJISMHLKOLUMK-OAHLLOKOSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185382155 771909156 /nfs/dbraw/zinc/90/91/56/771909156.db2.gz WXDYBOGKGHCTHZ-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001160432489 772037206 /nfs/dbraw/zinc/03/72/06/772037206.db2.gz XUKLVUJTPVUWHM-HOTGVXAUSA-N 2 2 306.454 0.391 20 30 DCEDLP N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)cc1 ZINC001161323618 772204795 /nfs/dbraw/zinc/20/47/95/772204795.db2.gz AEBRDZKQNFPQTD-KBMXLJTQSA-N 2 2 314.389 0.617 20 30 DCEDLP N#Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])C2)cc1 ZINC001161324602 772205494 /nfs/dbraw/zinc/20/54/94/772205494.db2.gz QDXVRBWRTUQJHC-PMPSAXMXSA-N 2 2 314.389 0.475 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187989389 772254660 /nfs/dbraw/zinc/25/46/60/772254660.db2.gz XGKKTSXPIASGDU-HZPDHXFCSA-N 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ZINC001340986382 953206210 /nfs/dbraw/zinc/20/62/10/953206210.db2.gz ICPQNXFGJDGJTG-KBPBESRZSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001340986383 953206631 /nfs/dbraw/zinc/20/66/31/953206631.db2.gz ICPQNXFGJDGJTG-KGLIPLIRSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001341304835 953222511 /nfs/dbraw/zinc/22/25/11/953222511.db2.gz OYSWYLVQMPFVPF-UONOGXRCSA-N 2 2 320.437 0.841 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001316617822 953515005 /nfs/dbraw/zinc/51/50/05/953515005.db2.gz CJTXUHSXLKGESL-KFWWJZLASA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001284430091 955088354 /nfs/dbraw/zinc/08/83/54/955088354.db2.gz NYXKVCHHGBJITQ-GDBMZVCRSA-N 2 2 320.437 0.821 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001284516085 955148665 /nfs/dbraw/zinc/14/86/65/955148665.db2.gz HVIRNWVJSCYVDV-HNNXBMFYSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001284516085 955148675 /nfs/dbraw/zinc/14/86/75/955148675.db2.gz HVIRNWVJSCYVDV-HNNXBMFYSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001369482745 965053126 /nfs/dbraw/zinc/05/31/26/965053126.db2.gz WEIMVFIDHNNNKF-LLVKDONJSA-N 2 2 314.817 0.849 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001502756401 1016055875 /nfs/dbraw/zinc/05/58/75/1016055875.db2.gz DEXVOAGDMUCCMP-GOEBONIOSA-N 2 2 320.437 0.992 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402633437 1001452232 /nfs/dbraw/zinc/45/22/32/1001452232.db2.gz CYOIKEBLHLCHPU-CYBMUJFWSA-N 2 2 303.834 0.850 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001402633437 1001452235 /nfs/dbraw/zinc/45/22/35/1001452235.db2.gz CYOIKEBLHLCHPU-CYBMUJFWSA-N 2 2 303.834 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001402633437 1001452236 /nfs/dbraw/zinc/45/22/36/1001452236.db2.gz CYOIKEBLHLCHPU-CYBMUJFWSA-N 2 2 303.834 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001402633437 1001452239 /nfs/dbraw/zinc/45/22/39/1001452239.db2.gz CYOIKEBLHLCHPU-CYBMUJFWSA-N 2 2 303.834 0.850 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001479579067 1017589364 /nfs/dbraw/zinc/58/93/64/1017589364.db2.gz SRJRZPHWSCPXTC-ZBFHGGJFSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[N@@H+](CCCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001479870575 1017914943 /nfs/dbraw/zinc/91/49/43/1017914943.db2.gz ITTHEIVNJOBMOS-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@H+](CCCNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001479870575 1017914951 /nfs/dbraw/zinc/91/49/51/1017914951.db2.gz ITTHEIVNJOBMOS-UHFFFAOYSA-N 2 2 304.394 0.954 20 30 DCEDLP COCC#CC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001479888927 1017938187 /nfs/dbraw/zinc/93/81/87/1017938187.db2.gz OGILRUVCTPPPMI-UHFFFAOYSA-N 2 2 318.421 0.764 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001480062541 1018174070 /nfs/dbraw/zinc/17/40/70/1018174070.db2.gz KKXGWRFVWFNUJU-INIZCTEOSA-N 2 2 318.421 0.487 20 30 DCEDLP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC#CCOC ZINC001495012585 1018236310 /nfs/dbraw/zinc/23/63/10/1018236310.db2.gz NMLBZCWRVTWOSE-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246661509 238159743 /nfs/dbraw/zinc/15/97/43/238159743.db2.gz SFOHEZYMTOLLRC-HOTGVXAUSA-N 2 2 322.453 0.791 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246661509 238159745 /nfs/dbraw/zinc/15/97/45/238159745.db2.gz SFOHEZYMTOLLRC-HOTGVXAUSA-N 2 2 322.453 0.791 20 30 DCEDLP Cc1ccc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)cc1C ZINC000264119954 238191300 /nfs/dbraw/zinc/19/13/00/238191300.db2.gz QTMJYZXZCVHWJY-HNNXBMFYSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cnn(CC)c2)CC1 ZINC000491252853 241112023 /nfs/dbraw/zinc/11/20/23/241112023.db2.gz KCYZWCZYMKWUQD-CQSZACIVSA-N 2 2 303.410 0.331 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093226941 395737284 /nfs/dbraw/zinc/73/72/84/395737284.db2.gz HAHVQQUHYNVLRM-HNNXBMFYSA-N 2 2 300.406 0.852 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093226941 395737286 /nfs/dbraw/zinc/73/72/86/395737286.db2.gz HAHVQQUHYNVLRM-HNNXBMFYSA-N 2 2 300.406 0.852 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716965 396650675 /nfs/dbraw/zinc/65/06/75/396650675.db2.gz NQDMCTUTMMBWJT-CVEARBPZSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716965 396650678 /nfs/dbraw/zinc/65/06/78/396650678.db2.gz NQDMCTUTMMBWJT-CVEARBPZSA-N 2 2 322.453 0.934 20 30 DCEDLP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[NH+]1CCOCC1 ZINC000321095064 396816334 /nfs/dbraw/zinc/81/63/34/396816334.db2.gz VILJQNDBBKHUHU-INIZCTEOSA-N 2 2 319.405 0.610 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442650 397552300 /nfs/dbraw/zinc/55/23/00/397552300.db2.gz HFKFTOIUZKBLHQ-KGLIPLIRSA-N 2 2 324.425 0.493 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594442650 397552304 /nfs/dbraw/zinc/55/23/04/397552304.db2.gz HFKFTOIUZKBLHQ-KGLIPLIRSA-N 2 2 324.425 0.493 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154614 415624227 /nfs/dbraw/zinc/62/42/27/415624227.db2.gz MEEXWMLDVAZPCU-GOEBONIOSA-N 2 2 320.437 0.827 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154614 415624229 /nfs/dbraw/zinc/62/42/29/415624229.db2.gz MEEXWMLDVAZPCU-GOEBONIOSA-N 2 2 320.437 0.827 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104718138 415625594 /nfs/dbraw/zinc/62/55/94/415625594.db2.gz JUBGPIKRROFJDA-CYBMUJFWSA-N 2 2 304.394 0.903 20 30 DCEDLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355408849 415862593 /nfs/dbraw/zinc/86/25/93/415862593.db2.gz KLXSILFSIXWHHX-IYBDPMFKSA-N 2 2 322.453 0.934 20 30 DCEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000355408849 415862598 /nfs/dbraw/zinc/86/25/98/415862598.db2.gz KLXSILFSIXWHHX-IYBDPMFKSA-N 2 2 322.453 0.934 20 30 DCEDLP C[NH+]1CCC(n2ccc(NC(=O)NCc3[nH]cc[nH+]3)n2)CC1 ZINC000330204271 416197161 /nfs/dbraw/zinc/19/71/61/416197161.db2.gz CORSWNVGVYCFOO-UHFFFAOYSA-N 2 2 303.370 1.399 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000491386741 416598190 /nfs/dbraw/zinc/59/81/90/416598190.db2.gz WAVHQXAIYVTKIX-DLBZAZTESA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000491386741 416598193 /nfs/dbraw/zinc/59/81/93/416598193.db2.gz WAVHQXAIYVTKIX-DLBZAZTESA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)CC1 ZINC000491669191 416612732 /nfs/dbraw/zinc/61/27/32/416612732.db2.gz CBGOOWRIAKSNAE-ARFHVFGLSA-N 2 2 307.438 0.245 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)CC1 ZINC000491669191 416612734 /nfs/dbraw/zinc/61/27/34/416612734.db2.gz CBGOOWRIAKSNAE-ARFHVFGLSA-N 2 2 307.438 0.245 20 30 DCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000424154394 416618153 /nfs/dbraw/zinc/61/81/53/416618153.db2.gz LTQCZKXCARQPPR-CABCVRRESA-N 2 2 308.426 0.721 20 30 DCEDLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424172519 416622632 /nfs/dbraw/zinc/62/26/32/416622632.db2.gz NADVGHSVGWFHMS-STQMWFEESA-N 2 2 310.398 0.103 20 30 DCEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000375678171 417006361 /nfs/dbraw/zinc/00/63/61/417006361.db2.gz SHPYWTGJCNKFKQ-HNNXBMFYSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC(C)(C)[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000375678171 417006366 /nfs/dbraw/zinc/00/63/66/417006366.db2.gz SHPYWTGJCNKFKQ-HNNXBMFYSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000375678171 417006372 /nfs/dbraw/zinc/00/63/72/417006372.db2.gz SHPYWTGJCNKFKQ-HNNXBMFYSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000375678171 417006374 /nfs/dbraw/zinc/00/63/74/417006374.db2.gz SHPYWTGJCNKFKQ-HNNXBMFYSA-N 2 2 309.454 0.803 20 30 DCEDLP C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551907 418274855 /nfs/dbraw/zinc/27/48/55/418274855.db2.gz KBDJTDCAWYLNPN-HUUCEWRRSA-N 2 2 324.469 0.781 20 30 DCEDLP C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551907 418274856 /nfs/dbraw/zinc/27/48/56/418274856.db2.gz KBDJTDCAWYLNPN-HUUCEWRRSA-N 2 2 324.469 0.781 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([NH2+]C(C)C)CC2)CC1 ZINC000490853852 332893341 /nfs/dbraw/zinc/89/33/41/332893341.db2.gz VIMZKAWXOGGCRS-UHFFFAOYSA-N 2 2 306.454 0.226 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000491640574 333133359 /nfs/dbraw/zinc/13/33/59/333133359.db2.gz YJZRPPCNKUKRDQ-OAHLLOKOSA-N 2 2 309.479 0.839 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CSC)C2)CC1 ZINC000491640574 333133360 /nfs/dbraw/zinc/13/33/60/333133360.db2.gz YJZRPPCNKUKRDQ-OAHLLOKOSA-N 2 2 309.479 0.839 20 30 DCEDLP C[C@H](C[NH+]1CCOCC1)[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330189412 336122418 /nfs/dbraw/zinc/12/24/18/336122418.db2.gz VGRHIBSJDASQHR-CHWSQXEVSA-N 2 2 307.398 0.422 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000304708557 340367751 /nfs/dbraw/zinc/36/77/51/340367751.db2.gz LIGHCZMHYCIQRU-INIZCTEOSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000304708557 340367752 /nfs/dbraw/zinc/36/77/52/340367752.db2.gz LIGHCZMHYCIQRU-INIZCTEOSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001569791323 1161250244 /nfs/dbraw/zinc/25/02/44/1161250244.db2.gz GWLNBIVNJAHFCF-UHFFFAOYSA-N 2 2 307.438 0.439 20 30 DCEDLP C[NH+]=C(NCc1ccoc1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261994801 526387910 /nfs/dbraw/zinc/38/79/10/526387910.db2.gz SDWZBUJUCGQSGO-UHFFFAOYSA-N 2 2 321.425 0.451 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000171711918 526437071 /nfs/dbraw/zinc/43/70/71/526437071.db2.gz CKJFEMCGIMXXBR-AWEZNQCLSA-N 2 2 310.442 0.657 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001664781564 1174458445 /nfs/dbraw/zinc/45/84/45/1174458445.db2.gz RHDCSDIMEKNJGS-UHFFFAOYSA-N 2 2 323.485 0.564 20 30 DCEDLP CN1CC[N@H+](C)C[C@@H]1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329449346 546049039 /nfs/dbraw/zinc/04/90/39/546049039.db2.gz MPMRPSWGCYZSSF-HNNXBMFYSA-N 2 2 320.441 0.680 20 30 DCEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH+]=C([O-])N1CCC(n2cc[nH+]c2)CC1 ZINC000329449346 546049041 /nfs/dbraw/zinc/04/90/41/546049041.db2.gz MPMRPSWGCYZSSF-HNNXBMFYSA-N 2 2 320.441 0.680 20 30 DCEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329449346 546049046 /nfs/dbraw/zinc/04/90/46/546049046.db2.gz MPMRPSWGCYZSSF-HNNXBMFYSA-N 2 2 320.441 0.680 20 30 DCEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000329449346 546049048 /nfs/dbraw/zinc/04/90/48/546049048.db2.gz MPMRPSWGCYZSSF-HNNXBMFYSA-N 2 2 320.441 0.680 20 30 DCEDLP C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643249 547390034 /nfs/dbraw/zinc/39/00/34/547390034.db2.gz VPNGBKJPPIWTEL-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643249 547390040 /nfs/dbraw/zinc/39/00/40/547390040.db2.gz VPNGBKJPPIWTEL-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978368057 660527497 /nfs/dbraw/zinc/52/74/97/660527497.db2.gz ZQTNVXSTCAEBBO-MIGQKNRLSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978368057 660527498 /nfs/dbraw/zinc/52/74/98/660527498.db2.gz ZQTNVXSTCAEBBO-MIGQKNRLSA-N 2 2 300.406 0.926 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001022220392 657565914 /nfs/dbraw/zinc/56/59/14/657565914.db2.gz AXJCTOKRSQJEJZ-GUTXKFCHSA-N 2 2 317.393 0.212 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001022220392 657565919 /nfs/dbraw/zinc/56/59/19/657565919.db2.gz AXJCTOKRSQJEJZ-GUTXKFCHSA-N 2 2 317.393 0.212 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292514 657709294 /nfs/dbraw/zinc/70/92/94/657709294.db2.gz WFNYIZVYRFSYOB-KGLIPLIRSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292514 657709298 /nfs/dbraw/zinc/70/92/98/657709298.db2.gz WFNYIZVYRFSYOB-KGLIPLIRSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292514 657709304 /nfs/dbraw/zinc/70/93/04/657709304.db2.gz WFNYIZVYRFSYOB-KGLIPLIRSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292514 657709312 /nfs/dbraw/zinc/70/93/12/657709312.db2.gz WFNYIZVYRFSYOB-KGLIPLIRSA-N 2 2 315.845 0.898 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972573003 657911369 /nfs/dbraw/zinc/91/13/69/657911369.db2.gz MXCGKJQAMYRXLE-INIZCTEOSA-N 2 2 304.394 0.832 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972573003 657911373 /nfs/dbraw/zinc/91/13/73/657911373.db2.gz MXCGKJQAMYRXLE-INIZCTEOSA-N 2 2 304.394 0.832 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000969687731 658080107 /nfs/dbraw/zinc/08/01/07/658080107.db2.gz SFGSWIRSOYPHTN-GDBMZVCRSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000969687731 658080113 /nfs/dbraw/zinc/08/01/13/658080113.db2.gz SFGSWIRSOYPHTN-GDBMZVCRSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640019 658140576 /nfs/dbraw/zinc/14/05/76/658140576.db2.gz DGHSYJXKVHYARJ-KRWDZBQOSA-N 2 2 303.406 0.019 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640019 658140578 /nfs/dbraw/zinc/14/05/78/658140578.db2.gz DGHSYJXKVHYARJ-KRWDZBQOSA-N 2 2 303.406 0.019 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389105 658699646 /nfs/dbraw/zinc/69/96/46/658699646.db2.gz DPXLTAWYZZHDAR-BFYDXBDKSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389105 658699650 /nfs/dbraw/zinc/69/96/50/658699650.db2.gz DPXLTAWYZZHDAR-BFYDXBDKSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389105 658699653 /nfs/dbraw/zinc/69/96/53/658699653.db2.gz DPXLTAWYZZHDAR-BFYDXBDKSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389105 658699655 /nfs/dbraw/zinc/69/96/55/658699655.db2.gz DPXLTAWYZZHDAR-BFYDXBDKSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411000 658730963 /nfs/dbraw/zinc/73/09/63/658730963.db2.gz VOROZXDYFGHCCK-WBVHZDCISA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411000 658730965 /nfs/dbraw/zinc/73/09/65/658730965.db2.gz VOROZXDYFGHCCK-WBVHZDCISA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430789 658758472 /nfs/dbraw/zinc/75/84/72/658758472.db2.gz JXTXWWJHKKKVOI-NVXWUHKLSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430789 658758474 /nfs/dbraw/zinc/75/84/74/658758474.db2.gz JXTXWWJHKKKVOI-NVXWUHKLSA-N 2 2 307.438 0.653 20 30 DCEDLP N#Cc1ccc(NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000925892869 661393957 /nfs/dbraw/zinc/39/39/57/661393957.db2.gz GUXSXAOMCLRUOS-ZBFHGGJFSA-N 2 2 301.394 0.722 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643736 661716118 /nfs/dbraw/zinc/71/61/18/661716118.db2.gz RJTNCAZZLPSKNE-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643736 661716119 /nfs/dbraw/zinc/71/61/19/661716119.db2.gz RJTNCAZZLPSKNE-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029342644 662111700 /nfs/dbraw/zinc/11/17/00/662111700.db2.gz YQXPBHQHGUBQQR-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029342644 662111701 /nfs/dbraw/zinc/11/17/01/662111701.db2.gz YQXPBHQHGUBQQR-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC001029342644 662111702 /nfs/dbraw/zinc/11/17/02/662111702.db2.gz YQXPBHQHGUBQQR-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCO ZINC001029342644 662111703 /nfs/dbraw/zinc/11/17/03/662111703.db2.gz YQXPBHQHGUBQQR-XHSDSOJGSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000730105009 663044492 /nfs/dbraw/zinc/04/44/92/663044492.db2.gz YQNQRFZNYBTDTJ-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000730105009 663044493 /nfs/dbraw/zinc/04/44/93/663044493.db2.gz YQNQRFZNYBTDTJ-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000730105009 663044495 /nfs/dbraw/zinc/04/44/95/663044495.db2.gz YQNQRFZNYBTDTJ-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000730105009 663044496 /nfs/dbraw/zinc/04/44/96/663044496.db2.gz YQNQRFZNYBTDTJ-XHSDSOJGSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900474979 663249905 /nfs/dbraw/zinc/24/99/05/663249905.db2.gz WREFXWCOITYFQN-PEZBUJJGSA-N 2 2 305.422 0.432 20 30 DCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@@H]2CCNC2=O)cc1 ZINC000902281020 663402207 /nfs/dbraw/zinc/40/22/07/663402207.db2.gz JCWXWTNMDYJCLK-AWEZNQCLSA-N 2 2 304.394 0.911 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000974754 665969290 /nfs/dbraw/zinc/96/92/90/665969290.db2.gz CNDMSLWFRKJQJD-HZPDHXFCSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000995975077 666724926 /nfs/dbraw/zinc/72/49/26/666724926.db2.gz OAYJKQLNVQSRDP-HIFRSBDPSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H](C)COC ZINC001032453707 667275026 /nfs/dbraw/zinc/27/50/26/667275026.db2.gz KQPQUPOLLZMVIQ-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)COC ZINC001032453707 667275028 /nfs/dbraw/zinc/27/50/28/667275028.db2.gz KQPQUPOLLZMVIQ-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)COC ZINC001032453707 667275031 /nfs/dbraw/zinc/27/50/31/667275031.db2.gz KQPQUPOLLZMVIQ-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@H](C)COC ZINC001032453707 667275033 /nfs/dbraw/zinc/27/50/33/667275033.db2.gz KQPQUPOLLZMVIQ-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC(C)C)CCO1 ZINC001035401790 667325330 /nfs/dbraw/zinc/32/53/30/667325330.db2.gz FQHGJGAWSGSFRW-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC(C)C)CCO1 ZINC001035401790 667325333 /nfs/dbraw/zinc/32/53/33/667325333.db2.gz FQHGJGAWSGSFRW-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC(C)C)CCO1 ZINC001035401790 667325336 /nfs/dbraw/zinc/32/53/36/667325336.db2.gz FQHGJGAWSGSFRW-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCC(C)C)CCO1 ZINC001035401790 667325339 /nfs/dbraw/zinc/32/53/39/667325339.db2.gz FQHGJGAWSGSFRW-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035678858 667397980 /nfs/dbraw/zinc/39/79/80/667397980.db2.gz GWLNETWUDKDAOU-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035678858 667397982 /nfs/dbraw/zinc/39/79/82/667397982.db2.gz GWLNETWUDKDAOU-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559505 667562430 /nfs/dbraw/zinc/56/24/30/667562430.db2.gz GVEACUQGRDCRFR-LSDHHAIUSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559505 667562433 /nfs/dbraw/zinc/56/24/33/667562433.db2.gz GVEACUQGRDCRFR-LSDHHAIUSA-N 2 2 300.406 0.968 20 30 DCEDLP C[NH+]1CCN(c2ncc(C=[NH+]N[C@H]3CCCOC3)cn2)CC1 ZINC000780257074 668976081 /nfs/dbraw/zinc/97/60/81/668976081.db2.gz FXELHWVROWWLQF-AWEZNQCLSA-N 2 2 304.398 0.331 20 30 DCEDLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCc1cccc(C#N)c1 ZINC000879433593 669034635 /nfs/dbraw/zinc/03/46/35/669034635.db2.gz XVZBDTKWVLQGLL-QGZVFWFLSA-N 2 2 305.422 0.972 20 30 DCEDLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cccc(C#N)c1 ZINC000879433593 669034641 /nfs/dbraw/zinc/03/46/41/669034641.db2.gz XVZBDTKWVLQGLL-QGZVFWFLSA-N 2 2 305.422 0.972 20 30 DCEDLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433593 669034648 /nfs/dbraw/zinc/03/46/48/669034648.db2.gz XVZBDTKWVLQGLL-QGZVFWFLSA-N 2 2 305.422 0.972 20 30 DCEDLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433593 669034651 /nfs/dbraw/zinc/03/46/51/669034651.db2.gz XVZBDTKWVLQGLL-QGZVFWFLSA-N 2 2 305.422 0.972 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000781859410 669066553 /nfs/dbraw/zinc/06/65/53/669066553.db2.gz FJKGICQVGUVHDF-CABCVRRESA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000781859410 669066555 /nfs/dbraw/zinc/06/65/55/669066555.db2.gz FJKGICQVGUVHDF-CABCVRRESA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000781859410 669066557 /nfs/dbraw/zinc/06/65/57/669066557.db2.gz FJKGICQVGUVHDF-CABCVRRESA-N 2 2 307.438 0.388 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000781859410 669066559 /nfs/dbraw/zinc/06/65/59/669066559.db2.gz FJKGICQVGUVHDF-CABCVRRESA-N 2 2 307.438 0.388 20 30 DCEDLP C#C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854004106 670514136 /nfs/dbraw/zinc/51/41/36/670514136.db2.gz NQCJJCUDNGEHGN-CABCVRRESA-N 2 2 310.442 0.350 20 30 DCEDLP C#C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000854004106 670514138 /nfs/dbraw/zinc/51/41/38/670514138.db2.gz NQCJJCUDNGEHGN-CABCVRRESA-N 2 2 310.442 0.350 20 30 DCEDLP C#C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000854004109 670514668 /nfs/dbraw/zinc/51/46/68/670514668.db2.gz NQCJJCUDNGEHGN-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000854004109 670514670 /nfs/dbraw/zinc/51/46/70/670514670.db2.gz NQCJJCUDNGEHGN-LSDHHAIUSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819636492 671131129 /nfs/dbraw/zinc/13/11/29/671131129.db2.gz WXLCSXTXAMQREW-HNNXBMFYSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000819636492 671131133 /nfs/dbraw/zinc/13/11/33/671131133.db2.gz WXLCSXTXAMQREW-HNNXBMFYSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001020250710 693745923 /nfs/dbraw/zinc/74/59/23/693745923.db2.gz MHLPEVXOKLANOA-AVGNSLFASA-N 2 2 319.434 0.373 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001020250710 693745926 /nfs/dbraw/zinc/74/59/26/693745926.db2.gz MHLPEVXOKLANOA-AVGNSLFASA-N 2 2 319.434 0.373 20 30 DCEDLP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001024616766 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XZRTZZXDBXDWJG-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001717267711 1182758520 /nfs/dbraw/zinc/75/85/20/1182758520.db2.gz XZRTZZXDBXDWJG-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001717320729 1182780107 /nfs/dbraw/zinc/78/01/07/1182780107.db2.gz DMRWQSSQRBPCFE-UHFFFAOYSA-N 2 2 312.373 0.524 20 30 DCEDLP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001717711640 1182963987 /nfs/dbraw/zinc/96/39/87/1182963987.db2.gz HWKJVNSZHOEUHH-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001717711640 1182963993 /nfs/dbraw/zinc/96/39/93/1182963993.db2.gz HWKJVNSZHOEUHH-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001717975128 1183093215 /nfs/dbraw/zinc/09/32/15/1183093215.db2.gz AAVNOMYDDNMKLS-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001717975128 1183093218 /nfs/dbraw/zinc/09/32/18/1183093218.db2.gz AAVNOMYDDNMKLS-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001723483912 1184317430 /nfs/dbraw/zinc/31/74/30/1184317430.db2.gz LKJAKBBWUSQZCT-UONOGXRCSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001723483912 1184317435 /nfs/dbraw/zinc/31/74/35/1184317435.db2.gz LKJAKBBWUSQZCT-UONOGXRCSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001723483912 1184317441 /nfs/dbraw/zinc/31/74/41/1184317441.db2.gz LKJAKBBWUSQZCT-UONOGXRCSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001723483912 1184317449 /nfs/dbraw/zinc/31/74/49/1184317449.db2.gz LKJAKBBWUSQZCT-UONOGXRCSA-N 2 2 310.442 0.208 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001724251607 1184405134 /nfs/dbraw/zinc/40/51/34/1184405134.db2.gz QGMSVXPGOBTQBW-INIZCTEOSA-N 2 2 319.409 0.083 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001724354033 1184413534 /nfs/dbraw/zinc/41/35/34/1184413534.db2.gz WAKXLBKKWMGQDZ-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001724354033 1184413537 /nfs/dbraw/zinc/41/35/37/1184413537.db2.gz WAKXLBKKWMGQDZ-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001724552293 1184462854 /nfs/dbraw/zinc/46/28/54/1184462854.db2.gz DDUFAIZORDSNCW-CHWSQXEVSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(C)CC[NH+]1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001725201230 1184721014 /nfs/dbraw/zinc/72/10/14/1184721014.db2.gz PFEDFHZLSZSKGR-UHFFFAOYSA-N 2 2 306.410 0.711 20 30 DCEDLP COCC#CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725346210 1184780005 /nfs/dbraw/zinc/78/00/05/1184780005.db2.gz UALWNNHOJPVIAE-UHFFFAOYSA-N 2 2 316.405 0.526 20 30 DCEDLP COCC#CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001725346210 1184780013 /nfs/dbraw/zinc/78/00/13/1184780013.db2.gz UALWNNHOJPVIAE-UHFFFAOYSA-N 2 2 316.405 0.526 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732063137 1185654830 /nfs/dbraw/zinc/65/48/30/1185654830.db2.gz GEPOACJPGGRNCX-UHFFFAOYSA-N 2 2 321.469 0.460 20 30 DCEDLP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001732442130 1185819931 /nfs/dbraw/zinc/81/99/31/1185819931.db2.gz YLDXWSBSXXRMSK-KBPBESRZSA-N 2 2 319.409 0.020 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001732449880 1185823051 /nfs/dbraw/zinc/82/30/51/1185823051.db2.gz UQZIUBIUVZMYDH-QWHCGFSZSA-N 2 2 319.409 0.176 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001732956081 1186079291 /nfs/dbraw/zinc/07/92/91/1186079291.db2.gz NUUFUZCSFWNMSU-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001732956081 1186079293 /nfs/dbraw/zinc/07/92/93/1186079293.db2.gz NUUFUZCSFWNMSU-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001733189887 1186175103 /nfs/dbraw/zinc/17/51/03/1186175103.db2.gz XEQKBIVQGCSFLV-OAHLLOKOSA-N 2 2 304.394 0.395 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001733417361 1186267002 /nfs/dbraw/zinc/26/70/02/1186267002.db2.gz PLDCNSSQEDBOJS-KRWDZBQOSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001733417361 1186267008 /nfs/dbraw/zinc/26/70/08/1186267008.db2.gz PLDCNSSQEDBOJS-KRWDZBQOSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001733933474 1186501746 /nfs/dbraw/zinc/50/17/46/1186501746.db2.gz HOSABRBSWMKLKF-INIZCTEOSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001733933474 1186501750 /nfs/dbraw/zinc/50/17/50/1186501750.db2.gz HOSABRBSWMKLKF-INIZCTEOSA-N 2 2 318.421 0.846 20 30 DCEDLP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001733950165 1186506441 /nfs/dbraw/zinc/50/64/41/1186506441.db2.gz JTPMDOCLJYHUDX-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001734176862 1186569603 /nfs/dbraw/zinc/56/96/03/1186569603.db2.gz IEAGXVBYCVTQBY-DZGCQCFKSA-N 2 2 304.394 0.571 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001734176862 1186569607 /nfs/dbraw/zinc/56/96/07/1186569607.db2.gz IEAGXVBYCVTQBY-DZGCQCFKSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001752577647 1188427944 /nfs/dbraw/zinc/42/79/44/1188427944.db2.gz RISJGPYUQRYKIH-CABCVRRESA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001752792220 1188442633 /nfs/dbraw/zinc/44/26/33/1188442633.db2.gz JUZVUQFPKUNJLF-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001752792220 1188442635 /nfs/dbraw/zinc/44/26/35/1188442635.db2.gz JUZVUQFPKUNJLF-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1csnn1 ZINC001753618575 1188625311 /nfs/dbraw/zinc/62/53/11/1188625311.db2.gz MTCWHSVDTVPYQO-OCCSQVGLSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1csnn1 ZINC001753618575 1188625314 /nfs/dbraw/zinc/62/53/14/1188625314.db2.gz MTCWHSVDTVPYQO-OCCSQVGLSA-N 2 2 321.450 0.478 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001755004454 1188992899 /nfs/dbraw/zinc/99/28/99/1188992899.db2.gz BKBBEEIADAHHQT-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001755005412 1188993614 /nfs/dbraw/zinc/99/36/14/1188993614.db2.gz OVZFINDLXLSXDB-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001755031732 1189002657 /nfs/dbraw/zinc/00/26/57/1189002657.db2.gz YYJSUDPGDVJCGV-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001755031732 1189002662 /nfs/dbraw/zinc/00/26/62/1189002662.db2.gz YYJSUDPGDVJCGV-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001755416295 1189106652 /nfs/dbraw/zinc/10/66/52/1189106652.db2.gz QUUKQQUJBHWDIE-AWEZNQCLSA-N 2 2 306.410 0.912 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001755416295 1189106655 /nfs/dbraw/zinc/10/66/55/1189106655.db2.gz QUUKQQUJBHWDIE-AWEZNQCLSA-N 2 2 306.410 0.912 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001755619888 1189160512 /nfs/dbraw/zinc/16/05/12/1189160512.db2.gz ITLDIPGBJBZJDU-OLZOCXBDSA-N 2 2 307.398 0.010 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106922357 751626047 /nfs/dbraw/zinc/62/60/47/751626047.db2.gz ACWMKVUXPHKFLO-UKRRQHHQSA-N 2 2 318.421 0.595 20 30 DCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192280 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316.405 0.288 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC001083262170 747513536 /nfs/dbraw/zinc/51/35/36/747513536.db2.gz GKIUVLBMSKBEEF-JKSUJKDBSA-N 2 2 316.405 0.288 20 30 DCEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001098721186 749268625 /nfs/dbraw/zinc/26/86/25/749268625.db2.gz CWNNGKMLRRRMHP-OAHLLOKOSA-N 2 2 318.425 0.116 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993538 752834041 /nfs/dbraw/zinc/83/40/41/752834041.db2.gz SHIHLCSMRRSJEQ-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993538 752834049 /nfs/dbraw/zinc/83/40/49/752834049.db2.gz SHIHLCSMRRSJEQ-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996644 752848908 /nfs/dbraw/zinc/84/89/08/752848908.db2.gz DIHDNHVLXWMECL-KRWDZBQOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996644 752848914 /nfs/dbraw/zinc/84/89/14/752848914.db2.gz DIHDNHVLXWMECL-KRWDZBQOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107996644 752848919 /nfs/dbraw/zinc/84/89/19/752848919.db2.gz DIHDNHVLXWMECL-KRWDZBQOSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107996644 752848927 /nfs/dbraw/zinc/84/89/27/752848927.db2.gz DIHDNHVLXWMECL-KRWDZBQOSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046074011 753465590 /nfs/dbraw/zinc/46/55/90/753465590.db2.gz RDQPJLOHBZTBMI-AWEZNQCLSA-N 2 2 303.410 0.357 20 30 DCEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046074011 753465593 /nfs/dbraw/zinc/46/55/93/753465593.db2.gz RDQPJLOHBZTBMI-AWEZNQCLSA-N 2 2 303.410 0.357 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160426 754483476 /nfs/dbraw/zinc/48/34/76/754483476.db2.gz LCMKPCUOASWIHA-XYJFISCASA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160426 754483480 /nfs/dbraw/zinc/48/34/80/754483480.db2.gz LCMKPCUOASWIHA-XYJFISCASA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001108160426 754483482 /nfs/dbraw/zinc/48/34/82/754483482.db2.gz LCMKPCUOASWIHA-XYJFISCASA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160426 754483485 /nfs/dbraw/zinc/48/34/85/754483485.db2.gz LCMKPCUOASWIHA-XYJFISCASA-N 2 2 321.465 0.947 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048901358 755006389 /nfs/dbraw/zinc/00/63/89/755006389.db2.gz XJRQZYUCDZOZKB-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048901358 755006390 /nfs/dbraw/zinc/00/63/90/755006390.db2.gz XJRQZYUCDZOZKB-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP 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C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ocnc1C ZINC001267386354 939444890 /nfs/dbraw/zinc/44/48/90/939444890.db2.gz FFADRXWFZIGFAT-AWEZNQCLSA-N 2 2 304.394 0.629 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267731081 939646145 /nfs/dbraw/zinc/64/61/45/939646145.db2.gz MYHPKFUMERJXTJ-HNNXBMFYSA-N 2 2 318.421 0.847 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267731081 939646147 /nfs/dbraw/zinc/64/61/47/939646147.db2.gz MYHPKFUMERJXTJ-HNNXBMFYSA-N 2 2 318.421 0.847 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267731545 939647097 /nfs/dbraw/zinc/64/70/97/939647097.db2.gz HPPLIMSJBXAZKZ-HNNXBMFYSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267731545 939647098 /nfs/dbraw/zinc/64/70/98/939647098.db2.gz HPPLIMSJBXAZKZ-HNNXBMFYSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001267932019 939707903 /nfs/dbraw/zinc/70/79/03/939707903.db2.gz KVHDUDBMACJTCC-HDJSIYSDSA-N 2 2 319.409 0.202 20 30 DCEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001496389020 939761887 /nfs/dbraw/zinc/76/18/87/939761887.db2.gz INTKVAGRHHXHQH-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001496389020 939761890 /nfs/dbraw/zinc/76/18/90/939761890.db2.gz INTKVAGRHHXHQH-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@@H](C)O ZINC001481672773 940028843 /nfs/dbraw/zinc/02/88/43/940028843.db2.gz GDMSMZSBXYCKJB-QZWWFDLISA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC[C@@H](C)O ZINC001481672773 940028833 /nfs/dbraw/zinc/02/88/33/940028833.db2.gz GDMSMZSBXYCKJB-QZWWFDLISA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H](C)O ZINC001481672773 940028838 /nfs/dbraw/zinc/02/88/38/940028838.db2.gz GDMSMZSBXYCKJB-QZWWFDLISA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@@H](C)O ZINC001481672773 940028846 /nfs/dbraw/zinc/02/88/46/940028846.db2.gz GDMSMZSBXYCKJB-QZWWFDLISA-N 2 2 319.449 0.530 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481693238 940045270 /nfs/dbraw/zinc/04/52/70/940045270.db2.gz HFJWUSQXIRSMOE-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481693238 940045273 /nfs/dbraw/zinc/04/52/73/940045273.db2.gz HFJWUSQXIRSMOE-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481696754 940049552 /nfs/dbraw/zinc/04/95/52/940049552.db2.gz VGAYZZGIRUPYAV-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#CCOC)C1 ZINC001481696754 940049555 /nfs/dbraw/zinc/04/95/55/940049555.db2.gz VGAYZZGIRUPYAV-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001481696754 940049557 /nfs/dbraw/zinc/04/95/57/940049557.db2.gz VGAYZZGIRUPYAV-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001481696754 940049561 /nfs/dbraw/zinc/04/95/61/940049561.db2.gz VGAYZZGIRUPYAV-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ncccn1 ZINC001268690924 940331860 /nfs/dbraw/zinc/33/18/60/940331860.db2.gz VMULNFFWHBZCIQ-KKUMJFAQSA-N 2 2 315.421 0.730 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ncccn1 ZINC001268690924 940331862 /nfs/dbraw/zinc/33/18/62/940331862.db2.gz VMULNFFWHBZCIQ-KKUMJFAQSA-N 2 2 315.421 0.730 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001268759458 940352383 /nfs/dbraw/zinc/35/23/83/940352383.db2.gz LOUJIKLDKJTGQQ-OAHLLOKOSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001268759458 940352385 /nfs/dbraw/zinc/35/23/85/940352385.db2.gz LOUJIKLDKJTGQQ-OAHLLOKOSA-N 2 2 306.410 0.750 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482301347 940938357 /nfs/dbraw/zinc/93/83/57/940938357.db2.gz LDWBZNFDQMSMJP-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001271168158 941308570 /nfs/dbraw/zinc/30/85/70/941308570.db2.gz WKBACPWNKHJLLI-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001271168158 941308571 /nfs/dbraw/zinc/30/85/71/941308571.db2.gz WKBACPWNKHJLLI-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001271356278 941357987 /nfs/dbraw/zinc/35/79/87/941357987.db2.gz CUFXFZLYIZXCBR-CQSZACIVSA-N 2 2 318.421 0.493 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001271435463 941374894 /nfs/dbraw/zinc/37/48/94/941374894.db2.gz GEIFQOXMSACKQQ-KGLIPLIRSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001271615228 941412635 /nfs/dbraw/zinc/41/26/35/941412635.db2.gz GNNXWHFRDOSDSF-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272012852 941517959 /nfs/dbraw/zinc/51/79/59/941517959.db2.gz AATVIELEYHAVPJ-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001272012852 941517960 /nfs/dbraw/zinc/51/79/60/941517960.db2.gz AATVIELEYHAVPJ-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001272012852 941517962 /nfs/dbraw/zinc/51/79/62/941517962.db2.gz AATVIELEYHAVPJ-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001272012852 941517965 /nfs/dbraw/zinc/51/79/65/941517965.db2.gz AATVIELEYHAVPJ-OAHLLOKOSA-N 2 2 324.469 0.552 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001483338005 942279240 /nfs/dbraw/zinc/27/92/40/942279240.db2.gz TVAFTCVYINQXEQ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001483338005 942279244 /nfs/dbraw/zinc/27/92/44/942279244.db2.gz TVAFTCVYINQXEQ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483338005 942279246 /nfs/dbraw/zinc/27/92/46/942279246.db2.gz TVAFTCVYINQXEQ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483338005 942279249 /nfs/dbraw/zinc/27/92/49/942279249.db2.gz TVAFTCVYINQXEQ-HUUCEWRRSA-N 2 2 322.453 0.045 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484444757 943390901 /nfs/dbraw/zinc/39/09/01/943390901.db2.gz WSNAWNKVPCPNCC-CPUCHLNUSA-N 2 2 318.421 0.653 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484444757 943390902 /nfs/dbraw/zinc/39/09/02/943390902.db2.gz WSNAWNKVPCPNCC-CPUCHLNUSA-N 2 2 318.421 0.653 20 30 DCEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484527214 943440628 /nfs/dbraw/zinc/44/06/28/943440628.db2.gz LNTNCVLMKBXLFS-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001494092473 944173693 /nfs/dbraw/zinc/17/36/93/944173693.db2.gz OGFHFBTYPWDVKD-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001494092473 944173694 /nfs/dbraw/zinc/17/36/94/944173694.db2.gz OGFHFBTYPWDVKD-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485828449 944214519 /nfs/dbraw/zinc/21/45/19/944214519.db2.gz VHSIFBCMOZTDMY-KFWWJZLASA-N 2 2 300.406 0.983 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485923988 944406852 /nfs/dbraw/zinc/40/68/52/944406852.db2.gz QIDPQZADVTVDGI-RRFJBIMHSA-N 2 2 318.421 0.610 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316943658 944667393 /nfs/dbraw/zinc/66/73/93/944667393.db2.gz HOQLTATXQHEVFR-CQSZACIVSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316943658 944667398 /nfs/dbraw/zinc/66/73/98/944667398.db2.gz HOQLTATXQHEVFR-CQSZACIVSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316986371 944716576 /nfs/dbraw/zinc/71/65/76/944716576.db2.gz DQLRLIRDXMKRCQ-RBSFLKMASA-N 2 2 318.421 0.917 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001316986371 944716580 /nfs/dbraw/zinc/71/65/80/944716580.db2.gz DQLRLIRDXMKRCQ-RBSFLKMASA-N 2 2 318.421 0.917 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001486429420 944875704 /nfs/dbraw/zinc/87/57/04/944875704.db2.gz OEVRXMYVJIYOLC-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001486429420 944875711 /nfs/dbraw/zinc/87/57/11/944875711.db2.gz OEVRXMYVJIYOLC-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317254391 944879709 /nfs/dbraw/zinc/87/97/09/944879709.db2.gz MYCIFGSRPTVTFH-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317327229 944924814 /nfs/dbraw/zinc/92/48/14/944924814.db2.gz UYLDCCNTMDHVQI-RRFJBIMHSA-N 2 2 316.405 0.601 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317327229 944924818 /nfs/dbraw/zinc/92/48/18/944924818.db2.gz UYLDCCNTMDHVQI-RRFJBIMHSA-N 2 2 316.405 0.601 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001273150773 945390184 /nfs/dbraw/zinc/39/01/84/945390184.db2.gz OAQFAIDDAQTPJV-AWEZNQCLSA-N 2 2 306.410 0.487 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278443552 945395266 /nfs/dbraw/zinc/39/52/66/945395266.db2.gz BXWCXBUVUKHCBP-INIZCTEOSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278443552 945395272 /nfs/dbraw/zinc/39/52/72/945395272.db2.gz BXWCXBUVUKHCBP-INIZCTEOSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001319711804 945650607 /nfs/dbraw/zinc/65/06/07/945650607.db2.gz HWWVNUDMCUIVKI-ZBFHGGJFSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOC[C@@H](O)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001252473420 945945883 /nfs/dbraw/zinc/94/58/83/945945883.db2.gz KUGXKFPWYRAPCM-KRWDZBQOSA-N 2 2 311.470 0.509 20 30 DCEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCOCC1 ZINC001278711138 946107715 /nfs/dbraw/zinc/10/77/15/946107715.db2.gz KUHYJWORNPLOAP-CQSZACIVSA-N 2 2 318.421 0.887 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001324176574 947341554 /nfs/dbraw/zinc/34/15/54/947341554.db2.gz YOKVWXRNZPBLPG-RBSFLKMASA-N 2 2 316.405 0.744 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001324176574 947341565 /nfs/dbraw/zinc/34/15/65/947341565.db2.gz YOKVWXRNZPBLPG-RBSFLKMASA-N 2 2 316.405 0.744 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001325102979 947655010 /nfs/dbraw/zinc/65/50/10/947655010.db2.gz WLWNEILOQKJECD-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001325102979 947655014 /nfs/dbraw/zinc/65/50/14/947655014.db2.gz WLWNEILOQKJECD-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001325102979 947655020 /nfs/dbraw/zinc/65/50/20/947655020.db2.gz WLWNEILOQKJECD-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001325102979 947655030 /nfs/dbraw/zinc/65/50/30/947655030.db2.gz WLWNEILOQKJECD-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273886197 948654896 /nfs/dbraw/zinc/65/48/96/948654896.db2.gz WIHVQCDOOLNCEH-ZBFHGGJFSA-N 2 2 304.394 0.497 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273886197 948654899 /nfs/dbraw/zinc/65/48/99/948654899.db2.gz WIHVQCDOOLNCEH-ZBFHGGJFSA-N 2 2 304.394 0.497 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328784444 949092677 /nfs/dbraw/zinc/09/26/77/949092677.db2.gz CKPOIHXGWOERHO-OAHLLOKOSA-N 2 2 318.421 0.833 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328784444 949092694 /nfs/dbraw/zinc/09/26/94/949092694.db2.gz CKPOIHXGWOERHO-OAHLLOKOSA-N 2 2 318.421 0.833 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001330425785 950386231 /nfs/dbraw/zinc/38/62/31/950386231.db2.gz NHYUQBZMSFPOSW-UONOGXRCSA-N 2 2 318.421 0.916 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001490723394 951035619 /nfs/dbraw/zinc/03/56/19/951035619.db2.gz NRDOYZDLPYIEKK-CJNGLKHVSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001490723394 951035636 /nfs/dbraw/zinc/03/56/36/951035636.db2.gz NRDOYZDLPYIEKK-CJNGLKHVSA-N 2 2 318.421 0.723 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001280691016 951037947 /nfs/dbraw/zinc/03/79/47/951037947.db2.gz HSNIDGZCOFXPEI-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001331977268 951419342 /nfs/dbraw/zinc/41/93/42/951419342.db2.gz VMWWRAXCGPFHNV-KBPBESRZSA-N 2 2 323.437 0.862 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001332308275 951580714 /nfs/dbraw/zinc/58/07/14/951580714.db2.gz HENWQUVESRJLDA-KGLIPLIRSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001281722068 951608232 /nfs/dbraw/zinc/60/82/32/951608232.db2.gz LXFCNMDIAZVEPW-JSGCOSHPSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001281722068 951608243 /nfs/dbraw/zinc/60/82/43/951608243.db2.gz LXFCNMDIAZVEPW-JSGCOSHPSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281782760 951622380 /nfs/dbraw/zinc/62/23/80/951622380.db2.gz RTJCOAQWMYGKHB-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281782760 951622384 /nfs/dbraw/zinc/62/23/84/951622384.db2.gz RTJCOAQWMYGKHB-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001274818949 951849923 /nfs/dbraw/zinc/84/99/23/951849923.db2.gz REEDVPZHYUVIIC-GFCCVEGCSA-N 2 2 308.382 0.094 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275579945 952285081 /nfs/dbraw/zinc/28/50/81/952285081.db2.gz HYTMTHKOAJLITE-CABCVRRESA-N 2 2 306.410 0.796 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001345631282 953694181 /nfs/dbraw/zinc/69/41/81/953694181.db2.gz BGFWLBAOSLRBRO-HNNXBMFYSA-N 2 2 323.485 0.572 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283506668 954407351 /nfs/dbraw/zinc/40/73/51/954407351.db2.gz IJVHIKOHFYWLEP-CABCVRRESA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284501866 955135632 /nfs/dbraw/zinc/13/56/32/955135632.db2.gz JKXVEJCYWIPCCF-CQSZACIVSA-N 2 2 314.389 0.951 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001284501866 955135640 /nfs/dbraw/zinc/13/56/40/955135640.db2.gz JKXVEJCYWIPCCF-CQSZACIVSA-N 2 2 314.389 0.951 20 30 DCEDLP C#C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001356597301 956905520 /nfs/dbraw/zinc/90/55/20/956905520.db2.gz SSXBUBWIJQYTEE-SJORKVTESA-N 2 2 305.397 0.698 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001316780938 960336044 /nfs/dbraw/zinc/33/60/44/960336044.db2.gz UGAYUCYWASBEAH-ILXRZTDVSA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001316780938 960336056 /nfs/dbraw/zinc/33/60/56/960336056.db2.gz UGAYUCYWASBEAH-ILXRZTDVSA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001316780938 960336063 /nfs/dbraw/zinc/33/60/63/960336063.db2.gz UGAYUCYWASBEAH-ILXRZTDVSA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001316780938 960336075 /nfs/dbraw/zinc/33/60/75/960336075.db2.gz UGAYUCYWASBEAH-ILXRZTDVSA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001507210632 1016128117 /nfs/dbraw/zinc/12/81/17/1016128117.db2.gz CZWINGFZTRVVEI-NWDGAFQWSA-N 2 2 312.801 0.265 20 30 DCEDLP N#Cc1cccc(C[NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001401582353 1000518794 /nfs/dbraw/zinc/51/87/94/1000518794.db2.gz YGTTWGWLEUBBQX-AWEZNQCLSA-N 2 2 313.361 0.091 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507506021 1016430834 /nfs/dbraw/zinc/43/08/34/1016430834.db2.gz DHUPRAXAOKHFHA-STQMWFEESA-N 2 2 314.817 0.996 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001403396762 1001922920 /nfs/dbraw/zinc/92/29/20/1001922920.db2.gz CZOGTBJXCDJLPR-NWDGAFQWSA-N 2 2 312.801 0.910 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)CCOC ZINC001508049696 1016630590 /nfs/dbraw/zinc/63/05/90/1016630590.db2.gz JLBWQGOHVJSPIK-OAHLLOKOSA-N 2 2 318.421 0.452 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)CCOC ZINC001508049696 1016630599 /nfs/dbraw/zinc/63/05/99/1016630599.db2.gz JLBWQGOHVJSPIK-OAHLLOKOSA-N 2 2 318.421 0.452 20 30 DCEDLP COCC#CC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001508064083 1016639205 /nfs/dbraw/zinc/63/92/05/1016639205.db2.gz IKVJRZSWEFFPMK-CQSZACIVSA-N 2 2 318.421 0.819 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407646746 1004784248 /nfs/dbraw/zinc/78/42/48/1004784248.db2.gz WJZUJDUTJLVBGS-ZFWWWQNUSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001407646746 1004784256 /nfs/dbraw/zinc/78/42/56/1004784256.db2.gz WJZUJDUTJLVBGS-ZFWWWQNUSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001407646746 1004784259 /nfs/dbraw/zinc/78/42/59/1004784259.db2.gz WJZUJDUTJLVBGS-ZFWWWQNUSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001407646746 1004784268 /nfs/dbraw/zinc/78/42/68/1004784268.db2.gz WJZUJDUTJLVBGS-ZFWWWQNUSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001439011555 1006356823 /nfs/dbraw/zinc/35/68/23/1006356823.db2.gz FPJNFAIVUUGQLP-NSHDSACASA-N 2 2 300.790 0.172 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001423785114 1011541909 /nfs/dbraw/zinc/54/19/09/1011541909.db2.gz JPADLYVQFAQTHO-DOMZBBRYSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001423785114 1011541915 /nfs/dbraw/zinc/54/19/15/1011541915.db2.gz JPADLYVQFAQTHO-DOMZBBRYSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001423785114 1011541925 /nfs/dbraw/zinc/54/19/25/1011541925.db2.gz JPADLYVQFAQTHO-DOMZBBRYSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001423785114 1011541937 /nfs/dbraw/zinc/54/19/37/1011541937.db2.gz JPADLYVQFAQTHO-DOMZBBRYSA-N 2 2 315.845 0.634 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001499884506 1018119358 /nfs/dbraw/zinc/11/93/58/1018119358.db2.gz YONVWGGODUCDMQ-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001499884506 1018119364 /nfs/dbraw/zinc/11/93/64/1018119364.db2.gz YONVWGGODUCDMQ-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001499958348 1018152400 /nfs/dbraw/zinc/15/24/00/1018152400.db2.gz RLHUFPVDLXVHBN-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480332569 1018435795 /nfs/dbraw/zinc/43/57/95/1018435795.db2.gz MIYJDTMGTKPCOG-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480332569 1018435801 /nfs/dbraw/zinc/43/58/01/1018435801.db2.gz MIYJDTMGTKPCOG-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001480412263 1018507009 /nfs/dbraw/zinc/50/70/09/1018507009.db2.gz DPDJAUNKBRTUKN-UHFFFAOYSA-N 2 2 304.394 0.550 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C(C)C ZINC001496585625 1019432103 /nfs/dbraw/zinc/43/21/03/1019432103.db2.gz DLHKIWROKQLANI-HNNXBMFYSA-N 2 2 320.437 0.733 20 30 DCEDLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243655 291286958 /nfs/dbraw/zinc/28/69/58/291286958.db2.gz XEGZDZZNYSVPTL-GZBFAFLISA-N 2 2 300.410 0.822 20 30 DCEDLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243655 291286960 /nfs/dbraw/zinc/28/69/60/291286960.db2.gz XEGZDZZNYSVPTL-GZBFAFLISA-N 2 2 300.410 0.822 20 30 DCEDLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243655 291286961 /nfs/dbraw/zinc/28/69/61/291286961.db2.gz XEGZDZZNYSVPTL-GZBFAFLISA-N 2 2 300.410 0.822 20 30 DCEDLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CNc4c(C#N)cnn4C3)[C@@H]2C1 ZINC000566243655 291286965 /nfs/dbraw/zinc/28/69/65/291286965.db2.gz XEGZDZZNYSVPTL-GZBFAFLISA-N 2 2 300.410 0.822 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000074254964 396161671 /nfs/dbraw/zinc/16/16/71/396161671.db2.gz IMKPZJRZGCKDPI-UHFFFAOYSA-N 2 2 303.410 0.448 20 30 DCEDLP C[C@@H]1C[NH+](CCN(CCC#N)CC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000595333117 396590012 /nfs/dbraw/zinc/59/00/12/396590012.db2.gz MWMLCAUCKBKGFR-IAGOWNOFSA-N 2 2 324.469 0.643 20 30 DCEDLP N#Cc1cccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000602545708 397436516 /nfs/dbraw/zinc/43/65/16/397436516.db2.gz NYWMUUCZQQISMB-QGZVFWFLSA-N 2 2 315.421 0.449 20 30 DCEDLP Cn1c[nH+]cc1CCC[N@H+](CCC#N)CCN1CCOCC1 ZINC000593960402 397487352 /nfs/dbraw/zinc/48/73/52/397487352.db2.gz YRFPRFLTZSDNFN-UHFFFAOYSA-N 2 2 305.426 0.901 20 30 DCEDLP Cn1c[nH+]cc1CCC[N@@H+](CCC#N)CCN1CCOCC1 ZINC000593960402 397487353 /nfs/dbraw/zinc/48/73/53/397487353.db2.gz YRFPRFLTZSDNFN-UHFFFAOYSA-N 2 2 305.426 0.901 20 30 DCEDLP Cn1c[nH+]cc1CCCN(CCC#N)CC[NH+]1CCOCC1 ZINC000593960402 397487355 /nfs/dbraw/zinc/48/73/55/397487355.db2.gz YRFPRFLTZSDNFN-UHFFFAOYSA-N 2 2 305.426 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CC1 ZINC000490935289 397498986 /nfs/dbraw/zinc/49/89/86/397498986.db2.gz MDMTZYGLZXKTMP-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303773987 685207272 /nfs/dbraw/zinc/20/72/72/685207272.db2.gz FQOQLJTZVGSTJF-UPJWGTAASA-N 2 2 300.447 0.813 20 30 DCEDLP COc1ccc(N2CC[NH+](CCNC3=[NH+]CCN3C)CC2)cc1 ZINC000284962434 415607182 /nfs/dbraw/zinc/60/71/82/415607182.db2.gz FOJCPHOYHBVZTG-UHFFFAOYSA-N 2 2 317.437 0.708 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000337170794 415921964 /nfs/dbraw/zinc/92/19/64/415921964.db2.gz DFQPIMOCNKRYQY-BBWFWOEESA-N 2 2 320.481 0.731 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000337170794 415921967 /nfs/dbraw/zinc/92/19/67/415921967.db2.gz DFQPIMOCNKRYQY-BBWFWOEESA-N 2 2 320.481 0.731 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000296562857 415932386 /nfs/dbraw/zinc/93/23/86/415932386.db2.gz KYOBDYKUIUNTNO-UHFFFAOYSA-N 2 2 303.410 0.902 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000296562857 415932390 /nfs/dbraw/zinc/93/23/90/415932390.db2.gz KYOBDYKUIUNTNO-UHFFFAOYSA-N 2 2 303.410 0.902 20 30 DCEDLP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000329218855 416155801 /nfs/dbraw/zinc/15/58/01/416155801.db2.gz AKTIJFKADSINDN-ZDUSSCGKSA-N 2 2 319.409 0.566 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328610020 416123586 /nfs/dbraw/zinc/12/35/86/416123586.db2.gz NICOZYYNOCJXHK-ZIAGYGMSSA-N 2 2 320.441 0.510 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328610020 416123591 /nfs/dbraw/zinc/12/35/91/416123591.db2.gz NICOZYYNOCJXHK-ZIAGYGMSSA-N 2 2 320.441 0.510 20 30 DCEDLP C[N@@H+]1CCO[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC000329632175 416181783 /nfs/dbraw/zinc/18/17/83/416181783.db2.gz WFFKSANWQRAZPD-FRRDWIJNSA-N 2 2 305.382 0.127 20 30 DCEDLP C[N@H+]1CCO[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC000329632175 416181785 /nfs/dbraw/zinc/18/17/85/416181785.db2.gz WFFKSANWQRAZPD-FRRDWIJNSA-N 2 2 305.382 0.127 20 30 DCEDLP C=CC[C@@H](CO)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341874660 416246291 /nfs/dbraw/zinc/24/62/91/416246291.db2.gz HEHWOOVCLRFQRZ-MRXNPFEDSA-N 2 2 311.470 0.557 20 30 DCEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341874660 416246293 /nfs/dbraw/zinc/24/62/93/416246293.db2.gz HEHWOOVCLRFQRZ-MRXNPFEDSA-N 2 2 311.470 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C23CCCC3)CC1 ZINC000491629471 416607104 /nfs/dbraw/zinc/60/71/04/416607104.db2.gz MAMLNOVMGKOEOZ-HNNXBMFYSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C23CCCC3)CC1 ZINC000491629471 416607106 /nfs/dbraw/zinc/60/71/06/416607106.db2.gz MAMLNOVMGKOEOZ-HNNXBMFYSA-N 2 2 305.422 0.143 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](COCC)C2)CC1 ZINC000490839169 416577025 /nfs/dbraw/zinc/57/70/25/416577025.db2.gz GYNAXQHYOJQRLL-MRXNPFEDSA-N 2 2 307.438 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](COCC)C2)CC1 ZINC000490839169 416577029 /nfs/dbraw/zinc/57/70/29/416577029.db2.gz GYNAXQHYOJQRLL-MRXNPFEDSA-N 2 2 307.438 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H](C)c2nccs2)CC1 ZINC000490949758 416581005 /nfs/dbraw/zinc/58/10/05/416581005.db2.gz MEXRMLZYWGAMTF-CQSZACIVSA-N 2 2 320.462 0.956 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H](C)c2nccs2)CC1 ZINC000490949758 416581009 /nfs/dbraw/zinc/58/10/09/416581009.db2.gz MEXRMLZYWGAMTF-CQSZACIVSA-N 2 2 320.462 0.956 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccsc2)CC1 ZINC000490976619 416581163 /nfs/dbraw/zinc/58/11/63/416581163.db2.gz ZKWCBIJFOKRACP-CQSZACIVSA-N 2 2 307.419 0.149 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491164480 416588580 /nfs/dbraw/zinc/58/85/80/416588580.db2.gz CBSGHNFJXQPHGL-CVEARBPZSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000491164480 416588582 /nfs/dbraw/zinc/58/85/82/416588582.db2.gz CBSGHNFJXQPHGL-CVEARBPZSA-N 2 2 305.422 0.407 20 30 DCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000424154712 416617997 /nfs/dbraw/zinc/61/79/97/416617997.db2.gz LTQCZKXCARQPPR-LSDHHAIUSA-N 2 2 308.426 0.721 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000491728889 416620817 /nfs/dbraw/zinc/62/08/17/416620817.db2.gz JHURWILZVHKWJH-HZPDHXFCSA-N 2 2 305.422 0.122 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000491728889 416620821 /nfs/dbraw/zinc/62/08/21/416620821.db2.gz JHURWILZVHKWJH-HZPDHXFCSA-N 2 2 305.422 0.122 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000491747094 416622426 /nfs/dbraw/zinc/62/24/26/416622426.db2.gz MMWMPFOQYYWXNU-HZPDHXFCSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000491747094 416622429 /nfs/dbraw/zinc/62/24/29/416622429.db2.gz MMWMPFOQYYWXNU-HZPDHXFCSA-N 2 2 307.438 0.389 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCC#Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000570548960 417364587 /nfs/dbraw/zinc/36/45/87/417364587.db2.gz HJNKBFGUECZODA-OAHLLOKOSA-N 2 2 304.369 0.462 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCC#Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000570548960 417364593 /nfs/dbraw/zinc/36/45/93/417364593.db2.gz HJNKBFGUECZODA-OAHLLOKOSA-N 2 2 304.369 0.462 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659809374 418182050 /nfs/dbraw/zinc/18/20/50/418182050.db2.gz DBQQQOIHIQOZFL-IRXDYDNUSA-N 2 2 322.497 0.884 20 30 DCEDLP CC(C)(CNC(=O)C[NH2+][C@H]1CCC[C@H]1C#N)[NH+]1CCOCC1 ZINC000332547361 336174039 /nfs/dbraw/zinc/17/40/39/336174039.db2.gz CSACJWJQMXJSIB-KBPBESRZSA-N 2 2 308.426 0.495 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000491451939 339862606 /nfs/dbraw/zinc/86/26/06/339862606.db2.gz IJMFCYDFOMZGSD-UAGQMJEPSA-N 2 2 319.449 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000491715671 339875967 /nfs/dbraw/zinc/87/59/67/339875967.db2.gz KZOJHXIAZARYHJ-AEFFLSMTSA-N 2 2 323.481 0.643 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000491764537 339879312 /nfs/dbraw/zinc/87/93/12/339879312.db2.gz ANXXTXYCGHQCPJ-JKSUJKDBSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001567721022 1160464934 /nfs/dbraw/zinc/46/49/34/1160464934.db2.gz SIVIWTTVKSWMKN-INIZCTEOSA-N 2 2 306.454 0.037 20 30 DCEDLP CC#CCN1CC[NH+](CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567721022 1160464939 /nfs/dbraw/zinc/46/49/39/1160464939.db2.gz SIVIWTTVKSWMKN-INIZCTEOSA-N 2 2 306.454 0.037 20 30 DCEDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cc1C#N ZINC000266214451 524070462 /nfs/dbraw/zinc/07/04/62/524070462.db2.gz PEFVVCWQLWVLFZ-OAHLLOKOSA-N 2 2 316.405 0.996 20 30 DCEDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cc1C#N ZINC000266214451 524070465 /nfs/dbraw/zinc/07/04/65/524070465.db2.gz PEFVVCWQLWVLFZ-OAHLLOKOSA-N 2 2 316.405 0.996 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOC(C)(C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000179198230 526357890 /nfs/dbraw/zinc/35/78/90/526357890.db2.gz YZUAEFXKNSHEPA-QGZVFWFLSA-N 2 2 324.469 0.785 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOC(C)(C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000179198230 526357895 /nfs/dbraw/zinc/35/78/95/526357895.db2.gz YZUAEFXKNSHEPA-QGZVFWFLSA-N 2 2 324.469 0.785 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000153276376 526367654 /nfs/dbraw/zinc/36/76/54/526367654.db2.gz XHKJHNCEDUGCCB-CQSZACIVSA-N 2 2 317.397 0.266 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266751193 526606965 /nfs/dbraw/zinc/60/69/65/526606965.db2.gz NYUUWDPPCSUBSL-NSHDSACASA-N 2 2 305.382 0.989 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)CC1 ZINC000374382619 526921324 /nfs/dbraw/zinc/92/13/24/526921324.db2.gz AUKVAXAGWNVEGP-QGZVFWFLSA-N 2 2 312.417 0.900 20 30 DCEDLP C=CCOCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000679629512 548075041 /nfs/dbraw/zinc/07/50/41/548075041.db2.gz GDHPBZHEQMOESD-UHFFFAOYSA-N 2 2 312.458 0.856 20 30 DCEDLP C=CCOCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000679629512 548075045 /nfs/dbraw/zinc/07/50/45/548075045.db2.gz GDHPBZHEQMOESD-UHFFFAOYSA-N 2 2 312.458 0.856 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691995 660620953 /nfs/dbraw/zinc/62/09/53/660620953.db2.gz YEYFTBIUJOHQDN-DLBZAZTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027691995 660620954 /nfs/dbraw/zinc/62/09/54/660620954.db2.gz YEYFTBIUJOHQDN-DLBZAZTESA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000981327702 661133364 /nfs/dbraw/zinc/13/33/64/661133364.db2.gz WXTQRIWHIHVLOU-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000981327702 661133365 /nfs/dbraw/zinc/13/33/65/661133365.db2.gz WXTQRIWHIHVLOU-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327702 661133367 /nfs/dbraw/zinc/13/33/67/661133367.db2.gz WXTQRIWHIHVLOU-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327702 661133369 /nfs/dbraw/zinc/13/33/69/661133369.db2.gz WXTQRIWHIHVLOU-KRWDZBQOSA-N 2 2 319.449 0.797 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972552900 657762647 /nfs/dbraw/zinc/76/26/47/657762647.db2.gz VGSGDYRQNUUSLM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972552900 657762650 /nfs/dbraw/zinc/76/26/50/657762650.db2.gz VGSGDYRQNUUSLM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972552900 657762655 /nfs/dbraw/zinc/76/26/55/657762655.db2.gz VGSGDYRQNUUSLM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972552900 657762659 /nfs/dbraw/zinc/76/26/59/657762659.db2.gz VGSGDYRQNUUSLM-WBVHZDCISA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001023447343 657874784 /nfs/dbraw/zinc/87/47/84/657874784.db2.gz LMSLBWAANCUEGI-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000972006627 658152978 /nfs/dbraw/zinc/15/29/78/658152978.db2.gz SMEZVLIVBQXKTD-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000972006627 658152986 /nfs/dbraw/zinc/15/29/86/658152986.db2.gz SMEZVLIVBQXKTD-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006627 658152992 /nfs/dbraw/zinc/15/29/92/658152992.db2.gz SMEZVLIVBQXKTD-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CCCC)C1 ZINC000972006627 658152997 /nfs/dbraw/zinc/15/29/97/658152997.db2.gz SMEZVLIVBQXKTD-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972411017 658735317 /nfs/dbraw/zinc/73/53/17/658735317.db2.gz VTKNHKDVPSLWBZ-NVXWUHKLSA-N 2 2 307.438 0.816 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437379 658768232 /nfs/dbraw/zinc/76/82/32/658768232.db2.gz IWOFHLKGYBSCRB-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437379 658768236 /nfs/dbraw/zinc/76/82/36/658768236.db2.gz IWOFHLKGYBSCRB-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437379 658768241 /nfs/dbraw/zinc/76/82/41/658768241.db2.gz IWOFHLKGYBSCRB-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437379 658768243 /nfs/dbraw/zinc/76/82/43/658768243.db2.gz IWOFHLKGYBSCRB-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000999793484 665684462 /nfs/dbraw/zinc/68/44/62/665684462.db2.gz QNSZCSASTJLGTF-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000999793484 665684463 /nfs/dbraw/zinc/68/44/63/665684463.db2.gz QNSZCSASTJLGTF-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969338 659743749 /nfs/dbraw/zinc/74/37/49/659743749.db2.gz IWGZOQSXWOPHFD-HZPDHXFCSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969338 659743755 /nfs/dbraw/zinc/74/37/55/659743755.db2.gz IWGZOQSXWOPHFD-HZPDHXFCSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969338 659743758 /nfs/dbraw/zinc/74/37/58/659743758.db2.gz IWGZOQSXWOPHFD-HZPDHXFCSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974969338 659743760 /nfs/dbraw/zinc/74/37/60/659743760.db2.gz IWGZOQSXWOPHFD-HZPDHXFCSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638971 661711939 /nfs/dbraw/zinc/71/19/39/661711939.db2.gz PWWOYWVRTUPZOW-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638971 661711940 /nfs/dbraw/zinc/71/19/40/661711940.db2.gz PWWOYWVRTUPZOW-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990109137 663004949 /nfs/dbraw/zinc/00/49/49/663004949.db2.gz QJTIFAAEMYETJS-YQQAZPJKSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990109137 663004950 /nfs/dbraw/zinc/00/49/50/663004950.db2.gz QJTIFAAEMYETJS-YQQAZPJKSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990109137 663004951 /nfs/dbraw/zinc/00/49/51/663004951.db2.gz QJTIFAAEMYETJS-YQQAZPJKSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990109137 663004952 /nfs/dbraw/zinc/00/49/52/663004952.db2.gz QJTIFAAEMYETJS-YQQAZPJKSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000733977262 666830117 /nfs/dbraw/zinc/83/01/17/666830117.db2.gz XSTCOFOYBACDMQ-KRWDZBQOSA-N 2 2 320.481 0.474 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000733977262 666830118 /nfs/dbraw/zinc/83/01/18/666830118.db2.gz XSTCOFOYBACDMQ-KRWDZBQOSA-N 2 2 320.481 0.474 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048699 666908243 /nfs/dbraw/zinc/90/82/43/666908243.db2.gz SNQSGXFEKCHGLV-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048699 666908247 /nfs/dbraw/zinc/90/82/47/666908247.db2.gz SNQSGXFEKCHGLV-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048699 666908249 /nfs/dbraw/zinc/90/82/49/666908249.db2.gz SNQSGXFEKCHGLV-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048699 666908251 /nfs/dbraw/zinc/90/82/51/666908251.db2.gz SNQSGXFEKCHGLV-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362839 667003541 /nfs/dbraw/zinc/00/35/41/667003541.db2.gz IZITTWNUFRBIQW-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362839 667003543 /nfs/dbraw/zinc/00/35/43/667003543.db2.gz IZITTWNUFRBIQW-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362839 667003547 /nfs/dbraw/zinc/00/35/47/667003547.db2.gz IZITTWNUFRBIQW-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362839 667003551 /nfs/dbraw/zinc/00/35/51/667003551.db2.gz IZITTWNUFRBIQW-JKSUJKDBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035389874 667319314 /nfs/dbraw/zinc/31/93/14/667319314.db2.gz RWGOJEHWXKWJNQ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035389874 667319317 /nfs/dbraw/zinc/31/93/17/667319317.db2.gz RWGOJEHWXKWJNQ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389874 667319320 /nfs/dbraw/zinc/31/93/20/667319320.db2.gz RWGOJEHWXKWJNQ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389874 667319323 /nfs/dbraw/zinc/31/93/23/667319323.db2.gz RWGOJEHWXKWJNQ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CCC2)CCO1 ZINC001035401226 667325078 /nfs/dbraw/zinc/32/50/78/667325078.db2.gz WZLYDKIYSJNBRQ-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC2CCC2)CCO1 ZINC001035401226 667325080 /nfs/dbraw/zinc/32/50/80/667325080.db2.gz WZLYDKIYSJNBRQ-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC2CCC2)CCO1 ZINC001035401226 667325084 /nfs/dbraw/zinc/32/50/84/667325084.db2.gz WZLYDKIYSJNBRQ-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC2CCC2)CCO1 ZINC001035401226 667325087 /nfs/dbraw/zinc/32/50/87/667325087.db2.gz WZLYDKIYSJNBRQ-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205732 667498265 /nfs/dbraw/zinc/49/82/65/667498265.db2.gz DRGGVALEEZIEDK-CVEARBPZSA-N 2 2 321.469 0.019 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000884205732 667498268 /nfs/dbraw/zinc/49/82/68/667498268.db2.gz DRGGVALEEZIEDK-CVEARBPZSA-N 2 2 321.469 0.019 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000884225934 667504131 /nfs/dbraw/zinc/50/41/31/667504131.db2.gz HAFCFUGMQVYSLV-RDBSUJKOSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000884225934 667504133 /nfs/dbraw/zinc/50/41/33/667504133.db2.gz HAFCFUGMQVYSLV-RDBSUJKOSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300605 667518891 /nfs/dbraw/zinc/51/88/91/667518891.db2.gz CXONDSATFOWBOM-MJBXVCDLSA-N 2 2 309.410 0.281 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000884433073 667544002 /nfs/dbraw/zinc/54/40/02/667544002.db2.gz ZRAWGLYUJQQWHI-SOUVJXGZSA-N 2 2 317.389 0.305 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000923557631 667563494 /nfs/dbraw/zinc/56/34/94/667563494.db2.gz MCFYUPAWYDBIJH-RTYFKUQISA-N 2 2 305.422 0.479 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000923557631 667563497 /nfs/dbraw/zinc/56/34/97/667563497.db2.gz MCFYUPAWYDBIJH-RTYFKUQISA-N 2 2 305.422 0.479 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)C1 ZINC000890363345 668119275 /nfs/dbraw/zinc/11/92/75/668119275.db2.gz MYLPZVSGLMKCLD-OAGGEKHMSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)C1 ZINC000890363345 668119279 /nfs/dbraw/zinc/11/92/79/668119279.db2.gz MYLPZVSGLMKCLD-OAGGEKHMSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000890363345 668119283 /nfs/dbraw/zinc/11/92/83/668119283.db2.gz MYLPZVSGLMKCLD-OAGGEKHMSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000890363345 668119286 /nfs/dbraw/zinc/11/92/86/668119286.db2.gz MYLPZVSGLMKCLD-OAGGEKHMSA-N 2 2 322.453 0.181 20 30 DCEDLP C=CCN1CC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000761307104 668322426 /nfs/dbraw/zinc/32/24/26/668322426.db2.gz XGJFPTFYSDFYDJ-CQSZACIVSA-N 2 2 306.410 0.605 20 30 DCEDLP C=CCN1CC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000761307104 668322429 /nfs/dbraw/zinc/32/24/29/668322429.db2.gz XGJFPTFYSDFYDJ-CQSZACIVSA-N 2 2 306.410 0.605 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000875622980 668352916 /nfs/dbraw/zinc/35/29/16/668352916.db2.gz NBUYNHHVISBDLR-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000875622980 668352919 /nfs/dbraw/zinc/35/29/19/668352919.db2.gz NBUYNHHVISBDLR-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875622980 668352921 /nfs/dbraw/zinc/35/29/21/668352921.db2.gz NBUYNHHVISBDLR-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000875622980 668352924 /nfs/dbraw/zinc/35/29/24/668352924.db2.gz NBUYNHHVISBDLR-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000876886050 668528658 /nfs/dbraw/zinc/52/86/58/668528658.db2.gz RCLCUFKFOWBAGA-VXGBXAGGSA-N 2 2 317.817 0.552 20 30 DCEDLP C[NH+](C)CC1(O)CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000931482227 669210112 /nfs/dbraw/zinc/21/01/12/669210112.db2.gz ZCODHVBWSYMWOQ-OAHLLOKOSA-N 2 2 316.405 0.473 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036755714 670174813 /nfs/dbraw/zinc/17/48/13/670174813.db2.gz BEGXVCSHWUOYFA-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036755714 670174815 /nfs/dbraw/zinc/17/48/15/670174815.db2.gz BEGXVCSHWUOYFA-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471263 670348960 /nfs/dbraw/zinc/34/89/60/670348960.db2.gz VLJCDQOZVYVRCV-JKSUJKDBSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471263 670348962 /nfs/dbraw/zinc/34/89/62/670348962.db2.gz VLJCDQOZVYVRCV-JKSUJKDBSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471263 670348964 /nfs/dbraw/zinc/34/89/64/670348964.db2.gz VLJCDQOZVYVRCV-JKSUJKDBSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471263 670348967 /nfs/dbraw/zinc/34/89/67/670348967.db2.gz VLJCDQOZVYVRCV-JKSUJKDBSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471260 670349316 /nfs/dbraw/zinc/34/93/16/670349316.db2.gz VLJCDQOZVYVRCV-HOTGVXAUSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949471260 670349319 /nfs/dbraw/zinc/34/93/19/670349319.db2.gz VLJCDQOZVYVRCV-HOTGVXAUSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471260 670349321 /nfs/dbraw/zinc/34/93/21/670349321.db2.gz VLJCDQOZVYVRCV-HOTGVXAUSA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949471260 670349325 /nfs/dbraw/zinc/34/93/25/670349325.db2.gz VLJCDQOZVYVRCV-HOTGVXAUSA-N 2 2 319.449 0.511 20 30 DCEDLP CC#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526359 670361947 /nfs/dbraw/zinc/36/19/47/670361947.db2.gz QFOURVDVZYWRSL-UHFFFAOYSA-N 2 2 319.449 0.799 20 30 DCEDLP CC#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526359 670361950 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1189086857 /nfs/dbraw/zinc/08/68/57/1189086857.db2.gz SATMWLPTINVCMM-UHFFFAOYSA-N 2 2 318.421 0.548 20 30 DCEDLP C=CC[NH+]1CCN(c2ccc(N3CC[NH+](C)CC3)nn2)CC1 ZINC001165033379 721864089 /nfs/dbraw/zinc/86/40/89/721864089.db2.gz LNFIQBXGDYPUKV-UHFFFAOYSA-N 2 2 302.426 0.536 20 30 DCEDLP C=CC[NH+]1CCN(c2ccnc(N3CC[NH+](C)CC3)n2)CC1 ZINC001165035312 721871986 /nfs/dbraw/zinc/87/19/86/721871986.db2.gz UJKGMGFQBRTNNR-UHFFFAOYSA-N 2 2 302.426 0.536 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192325 746964449 /nfs/dbraw/zinc/96/44/49/746964449.db2.gz WFKSFOWEIBCPMB-LSDHHAIUSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192325 746964452 /nfs/dbraw/zinc/96/44/52/746964452.db2.gz WFKSFOWEIBCPMB-LSDHHAIUSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192325 746964457 /nfs/dbraw/zinc/96/44/57/746964457.db2.gz WFKSFOWEIBCPMB-LSDHHAIUSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192325 746964463 /nfs/dbraw/zinc/96/44/63/746964463.db2.gz WFKSFOWEIBCPMB-LSDHHAIUSA-N 2 2 305.422 0.263 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355385 747128777 /nfs/dbraw/zinc/12/87/77/747128777.db2.gz FCZVRMOIUOGTBG-UHFFFAOYSA-N 2 2 321.425 0.473 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083207722 747143861 /nfs/dbraw/zinc/14/38/61/747143861.db2.gz KSTMRCYSQQAIMM-LSDHHAIUSA-N 2 2 304.394 0.830 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428216 747184301 /nfs/dbraw/zinc/18/43/01/747184301.db2.gz HZOUVDJWHPGTHS-KGLIPLIRSA-N 2 2 319.409 0.068 20 30 DCEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098547581 747204917 /nfs/dbraw/zinc/20/49/17/747204917.db2.gz BOWPRZDMJZIUGG-UHFFFAOYSA-N 2 2 306.410 0.732 20 30 DCEDLP C=CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098547581 747204918 /nfs/dbraw/zinc/20/49/18/747204918.db2.gz BOWPRZDMJZIUGG-UHFFFAOYSA-N 2 2 306.410 0.732 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584249 747582130 /nfs/dbraw/zinc/58/21/30/747582130.db2.gz QIGATHSAGOYGBJ-UHFFFAOYSA-N 2 2 304.394 0.192 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584249 747582136 /nfs/dbraw/zinc/58/21/36/747582136.db2.gz QIGATHSAGOYGBJ-UHFFFAOYSA-N 2 2 304.394 0.192 20 30 DCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043391151 752213748 /nfs/dbraw/zinc/21/37/48/752213748.db2.gz JAXDVQBRMGKDCW-GNHJJJEISA-N 2 2 305.422 0.568 20 30 DCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043391151 752213752 /nfs/dbraw/zinc/21/37/52/752213752.db2.gz JAXDVQBRMGKDCW-GNHJJJEISA-N 2 2 305.422 0.568 20 30 DCEDLP C=CCCC[NH+]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC001112964201 762050612 /nfs/dbraw/zinc/05/06/12/762050612.db2.gz MWBWRGWDUADQLJ-INIZCTEOSA-N 2 2 319.453 0.924 20 30 DCEDLP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107838850 752401452 /nfs/dbraw/zinc/40/14/52/752401452.db2.gz GJDKYSXGNZMLST-HOCLYGCPSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107838850 752401459 /nfs/dbraw/zinc/40/14/59/752401459.db2.gz GJDKYSXGNZMLST-HOCLYGCPSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838850 752401464 /nfs/dbraw/zinc/40/14/64/752401464.db2.gz GJDKYSXGNZMLST-HOCLYGCPSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838850 752401468 /nfs/dbraw/zinc/40/14/68/752401468.db2.gz GJDKYSXGNZMLST-HOCLYGCPSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001107838849 752401738 /nfs/dbraw/zinc/40/17/38/752401738.db2.gz GJDKYSXGNZMLST-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001107838849 752401739 /nfs/dbraw/zinc/40/17/39/752401739.db2.gz GJDKYSXGNZMLST-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838849 752401742 /nfs/dbraw/zinc/40/17/42/752401742.db2.gz GJDKYSXGNZMLST-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001107838849 752401743 /nfs/dbraw/zinc/40/17/43/752401743.db2.gz GJDKYSXGNZMLST-GOEBONIOSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765452 752486853 /nfs/dbraw/zinc/48/68/53/752486853.db2.gz OBIYHZQLPGPRBV-ZIAGYGMSSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765452 752486859 /nfs/dbraw/zinc/48/68/59/752486859.db2.gz OBIYHZQLPGPRBV-ZIAGYGMSSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC=C)C[C@H]1OC ZINC001212419749 752758991 /nfs/dbraw/zinc/75/89/91/752758991.db2.gz AQSGIVWFBUSRSY-IXDOHACOSA-N 2 2 319.449 0.866 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC=C)C[C@H]1OC ZINC001212419749 752758996 /nfs/dbraw/zinc/75/89/96/752758996.db2.gz AQSGIVWFBUSRSY-IXDOHACOSA-N 2 2 319.449 0.866 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC=C)C[C@H]1OC ZINC001212419749 752759002 /nfs/dbraw/zinc/75/90/02/752759002.db2.gz AQSGIVWFBUSRSY-IXDOHACOSA-N 2 2 319.449 0.866 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC=C)C[C@H]1OC ZINC001212419749 752759007 /nfs/dbraw/zinc/75/90/07/752759007.db2.gz AQSGIVWFBUSRSY-IXDOHACOSA-N 2 2 319.449 0.866 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046074295 753465229 /nfs/dbraw/zinc/46/52/29/753465229.db2.gz XHSDTLKXVDTKKM-OAHLLOKOSA-N 2 2 317.437 0.747 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046074295 753465234 /nfs/dbraw/zinc/46/52/34/753465234.db2.gz XHSDTLKXVDTKKM-OAHLLOKOSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046075803 753467453 /nfs/dbraw/zinc/46/74/53/753467453.db2.gz FFDPEQIHMOPLSD-HNNXBMFYSA-N 2 2 317.437 0.367 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001046075803 753467457 /nfs/dbraw/zinc/46/74/57/753467457.db2.gz FFDPEQIHMOPLSD-HNNXBMFYSA-N 2 2 317.437 0.367 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088352 753475414 /nfs/dbraw/zinc/47/54/14/753475414.db2.gz LQRCDSVAVJKGBG-MRXNPFEDSA-N 2 2 315.421 0.125 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088352 753475421 /nfs/dbraw/zinc/47/54/21/753475421.db2.gz LQRCDSVAVJKGBG-MRXNPFEDSA-N 2 2 315.421 0.125 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCC(=C)C)C[C@@H]1O ZINC001047415149 754262463 /nfs/dbraw/zinc/26/24/63/754262463.db2.gz JGVJTHCQLWHMFE-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCC(=C)C)C[C@@H]1O ZINC001047415149 754262466 /nfs/dbraw/zinc/26/24/66/754262466.db2.gz JGVJTHCQLWHMFE-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCC(=C)C)C[C@@H]1O ZINC001047415149 754262471 /nfs/dbraw/zinc/26/24/71/754262471.db2.gz JGVJTHCQLWHMFE-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCC(=C)C)C[C@@H]1O ZINC001047415149 754262474 /nfs/dbraw/zinc/26/24/74/754262474.db2.gz JGVJTHCQLWHMFE-ULQDDVLXSA-N 2 2 319.449 0.554 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047524405 754355716 /nfs/dbraw/zinc/35/57/16/754355716.db2.gz GQSRWNRICBKGLA-SNPRPXQTSA-N 2 2 318.421 0.909 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047524405 754355722 /nfs/dbraw/zinc/35/57/22/754355722.db2.gz GQSRWNRICBKGLA-SNPRPXQTSA-N 2 2 318.421 0.909 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048903895 755007936 /nfs/dbraw/zinc/00/79/36/755007936.db2.gz QWNXNRZKGKOWGE-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001048903895 755007938 /nfs/dbraw/zinc/00/79/38/755007938.db2.gz QWNXNRZKGKOWGE-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108190121 755524184 /nfs/dbraw/zinc/52/41/84/755524184.db2.gz QUHYFWWLFXYAKL-WBVHZDCISA-N 2 2 309.454 0.803 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108190121 755524188 /nfs/dbraw/zinc/52/41/88/755524188.db2.gz QUHYFWWLFXYAKL-WBVHZDCISA-N 2 2 309.454 0.803 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090359795 755687439 /nfs/dbraw/zinc/68/74/39/755687439.db2.gz FSLCBKQDVLEASY-GDBMZVCRSA-N 2 2 312.373 0.751 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090359795 755687440 /nfs/dbraw/zinc/68/74/40/755687440.db2.gz FSLCBKQDVLEASY-GDBMZVCRSA-N 2 2 312.373 0.751 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001053342970 756010779 /nfs/dbraw/zinc/01/07/79/756010779.db2.gz TWUHVPQHQSMMEB-UHFFFAOYSA-N 2 2 304.394 0.681 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981795 756070302 /nfs/dbraw/zinc/07/03/02/756070302.db2.gz BXXNYLPHSNWVOJ-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001079981795 756070306 /nfs/dbraw/zinc/07/03/06/756070306.db2.gz BXXNYLPHSNWVOJ-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](CC)C3)C2)CC1 ZINC001054015706 756334206 /nfs/dbraw/zinc/33/42/06/756334206.db2.gz NIADAIIUNWINTQ-OAHLLOKOSA-N 2 2 305.422 0.311 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327104 757050598 /nfs/dbraw/zinc/05/05/98/757050598.db2.gz CNIUAIZLBCYKNX-HUUCEWRRSA-N 2 2 306.410 0.744 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327104 757050606 /nfs/dbraw/zinc/05/06/06/757050606.db2.gz CNIUAIZLBCYKNX-HUUCEWRRSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082700773 757235202 /nfs/dbraw/zinc/23/52/02/757235202.db2.gz RTBMBGQGFLPNJN-OIISXLGYSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082700773 757235207 /nfs/dbraw/zinc/23/52/07/757235207.db2.gz RTBMBGQGFLPNJN-OIISXLGYSA-N 2 2 319.449 0.700 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090378272 757238966 /nfs/dbraw/zinc/23/89/66/757238966.db2.gz NQFKIYPZMXOHDP-ZFWWWQNUSA-N 2 2 322.409 0.477 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090378272 757238970 /nfs/dbraw/zinc/23/89/70/757238970.db2.gz NQFKIYPZMXOHDP-ZFWWWQNUSA-N 2 2 322.409 0.477 20 30 DCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001050987491 758332855 /nfs/dbraw/zinc/33/28/55/758332855.db2.gz QBVNZRVQAULYCY-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001050987491 758332865 /nfs/dbraw/zinc/33/28/65/758332865.db2.gz QBVNZRVQAULYCY-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050987491 758332875 /nfs/dbraw/zinc/33/28/75/758332875.db2.gz QBVNZRVQAULYCY-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001050987491 758332885 /nfs/dbraw/zinc/33/28/85/758332885.db2.gz QBVNZRVQAULYCY-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)[NH+](C)C ZINC001052043445 759136889 /nfs/dbraw/zinc/13/68/89/759136889.db2.gz YJNVTDQTDDLUKB-LSDHHAIUSA-N 2 2 307.442 0.069 20 30 DCEDLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045137 759138457 /nfs/dbraw/zinc/13/84/57/759138457.db2.gz QCPJPXXFFJNQCM-JKSUJKDBSA-N 2 2 319.453 0.213 20 30 DCEDLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045137 759138465 /nfs/dbraw/zinc/13/84/65/759138465.db2.gz QCPJPXXFFJNQCM-JKSUJKDBSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052083756 759166662 /nfs/dbraw/zinc/16/66/62/759166662.db2.gz PVMYUJGDJLLIAU-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052083756 759166665 /nfs/dbraw/zinc/16/66/65/759166665.db2.gz PVMYUJGDJLLIAU-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001086372839 760110008 /nfs/dbraw/zinc/11/00/08/760110008.db2.gz ZOARUIACGWJTDV-XJKCOSOUSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001086372839 760110017 /nfs/dbraw/zinc/11/00/17/760110017.db2.gz ZOARUIACGWJTDV-XJKCOSOUSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001086390120 760126862 /nfs/dbraw/zinc/12/68/62/760126862.db2.gz CDIUYNWYOUJPOT-YDHLFZDLSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001086390120 760126868 /nfs/dbraw/zinc/12/68/68/760126868.db2.gz CDIUYNWYOUJPOT-YDHLFZDLSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302693 760352989 /nfs/dbraw/zinc/35/29/89/760352989.db2.gz OWVYQTFPBHZGGT-GOSISDBHSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302693 760353000 /nfs/dbraw/zinc/35/30/00/760353000.db2.gz OWVYQTFPBHZGGT-GOSISDBHSA-N 2 2 321.465 0.949 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344403 760418893 /nfs/dbraw/zinc/41/88/93/760418893.db2.gz NNMSALBTFHZGJJ-INIZCTEOSA-N 2 2 305.422 0.313 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344403 760418898 /nfs/dbraw/zinc/41/88/98/760418898.db2.gz NNMSALBTFHZGJJ-INIZCTEOSA-N 2 2 305.422 0.313 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC001123656355 768015236 /nfs/dbraw/zinc/01/52/36/768015236.db2.gz ROUNUGJPKKHCPY-HOCLYGCPSA-N 2 2 323.485 0.570 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC001123656355 768015239 /nfs/dbraw/zinc/01/52/39/768015239.db2.gz ROUNUGJPKKHCPY-HOCLYGCPSA-N 2 2 323.485 0.570 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090426643 761422544 /nfs/dbraw/zinc/42/25/44/761422544.db2.gz FKCIOBAWLUTFQF-HIFRSBDPSA-N 2 2 312.373 0.523 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090426643 761422548 /nfs/dbraw/zinc/42/25/48/761422548.db2.gz FKCIOBAWLUTFQF-HIFRSBDPSA-N 2 2 312.373 0.523 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719014 761520497 /nfs/dbraw/zinc/52/04/97/761520497.db2.gz RATYBVBHVCKSFT-NCOADZHNSA-N 2 2 319.449 0.700 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109719014 761520504 /nfs/dbraw/zinc/52/05/04/761520504.db2.gz RATYBVBHVCKSFT-NCOADZHNSA-N 2 2 319.449 0.700 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109719014 761520508 /nfs/dbraw/zinc/52/05/08/761520508.db2.gz RATYBVBHVCKSFT-NCOADZHNSA-N 2 2 319.449 0.700 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719014 761520511 /nfs/dbraw/zinc/52/05/11/761520511.db2.gz RATYBVBHVCKSFT-NCOADZHNSA-N 2 2 319.449 0.700 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020542 761588636 /nfs/dbraw/zinc/58/86/36/761588636.db2.gz IIZMMGFNNNQAIJ-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C=C(C)C[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020542 761588639 /nfs/dbraw/zinc/58/86/39/761588639.db2.gz IIZMMGFNNNQAIJ-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020542 761588646 /nfs/dbraw/zinc/58/86/46/761588646.db2.gz IIZMMGFNNNQAIJ-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020542 761588655 /nfs/dbraw/zinc/58/86/55/761588655.db2.gz IIZMMGFNNNQAIJ-OAHLLOKOSA-N 2 2 322.453 0.165 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139284 761667800 /nfs/dbraw/zinc/66/78/00/761667800.db2.gz OLSLSLYFHSPSRJ-LSDHHAIUSA-N 2 2 304.394 0.238 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100139284 761667804 /nfs/dbraw/zinc/66/78/04/761667804.db2.gz OLSLSLYFHSPSRJ-LSDHHAIUSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071193065 761695123 /nfs/dbraw/zinc/69/51/23/761695123.db2.gz VWVTZEAIXWXQFQ-WBVHZDCISA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071193065 761695127 /nfs/dbraw/zinc/69/51/27/761695127.db2.gz VWVTZEAIXWXQFQ-WBVHZDCISA-N 2 2 316.405 0.517 20 30 DCEDLP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071215924 761712192 /nfs/dbraw/zinc/71/21/92/761712192.db2.gz IZFYDIMIRUUEHE-CZUORRHYSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071215924 761712195 /nfs/dbraw/zinc/71/21/95/761712195.db2.gz IZFYDIMIRUUEHE-CZUORRHYSA-N 2 2 304.394 0.830 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241057 761732898 /nfs/dbraw/zinc/73/28/98/761732898.db2.gz OJXHSBYKWSHOJQ-PBHICJAKSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241057 761732904 /nfs/dbraw/zinc/73/29/04/761732904.db2.gz OJXHSBYKWSHOJQ-PBHICJAKSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241059 761733306 /nfs/dbraw/zinc/73/33/06/761733306.db2.gz OJXHSBYKWSHOJQ-WMLDXEAASA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241059 761733309 /nfs/dbraw/zinc/73/33/09/761733309.db2.gz OJXHSBYKWSHOJQ-WMLDXEAASA-N 2 2 316.405 0.517 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501612 762759134 /nfs/dbraw/zinc/75/91/34/762759134.db2.gz PYBCHUFEZNMUSH-KFWWJZLASA-N 2 2 304.394 0.807 20 30 DCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111501612 762759135 /nfs/dbraw/zinc/75/91/35/762759135.db2.gz PYBCHUFEZNMUSH-KFWWJZLASA-N 2 2 304.394 0.807 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001129770600 763008211 /nfs/dbraw/zinc/00/82/11/763008211.db2.gz JSJWJERDDHFEKO-HNNXBMFYSA-N 2 2 303.410 0.032 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001129770600 763008213 /nfs/dbraw/zinc/00/82/13/763008213.db2.gz JSJWJERDDHFEKO-HNNXBMFYSA-N 2 2 303.410 0.032 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099928632 763134024 /nfs/dbraw/zinc/13/40/24/763134024.db2.gz MBAZSAVPUYFICE-ZIAGYGMSSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099928632 763134025 /nfs/dbraw/zinc/13/40/25/763134025.db2.gz MBAZSAVPUYFICE-ZIAGYGMSSA-N 2 2 306.410 0.480 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199939 768240413 /nfs/dbraw/zinc/24/04/13/768240413.db2.gz WUGPOUCFOAJSSV-PBHICJAKSA-N 2 2 300.406 0.766 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199939 768240416 /nfs/dbraw/zinc/24/04/16/768240416.db2.gz WUGPOUCFOAJSSV-PBHICJAKSA-N 2 2 300.406 0.766 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090517929 765451585 /nfs/dbraw/zinc/45/15/85/765451585.db2.gz ACRVKHQUZRENCD-HUUCEWRRSA-N 2 2 319.405 0.530 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090517929 765451589 /nfs/dbraw/zinc/45/15/89/765451589.db2.gz ACRVKHQUZRENCD-HUUCEWRRSA-N 2 2 319.405 0.530 20 30 DCEDLP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407227 765509241 /nfs/dbraw/zinc/50/92/41/765509241.db2.gz WKGHVENRODKFSI-UHFFFAOYSA-N 2 2 313.361 0.738 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944108 766179436 /nfs/dbraw/zinc/17/94/36/766179436.db2.gz FCYSPWYRVQYDEE-QWHCGFSZSA-N 2 2 321.425 0.138 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727092 766522300 /nfs/dbraw/zinc/52/23/00/766522300.db2.gz HHCYFYLHGXPEHZ-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727092 766522304 /nfs/dbraw/zinc/52/23/04/766522304.db2.gz HHCYFYLHGXPEHZ-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596585 769134814 /nfs/dbraw/zinc/13/48/14/769134814.db2.gz MOWVRYVGSWHIKI-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150596585 769134818 /nfs/dbraw/zinc/13/48/18/769134818.db2.gz MOWVRYVGSWHIKI-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](Cc1c[nH+]cn1C)C(=O)OC ZINC001183085827 771602266 /nfs/dbraw/zinc/60/22/66/771602266.db2.gz KXGYYFDMZFUOBK-AWEZNQCLSA-N 2 2 320.393 0.272 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183773058 771699450 /nfs/dbraw/zinc/69/94/50/771699450.db2.gz NVGRQDFQTPQLBN-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP N#Cc1c[nH]c2ncnc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)c12 ZINC001158258225 771748049 /nfs/dbraw/zinc/74/80/49/771748049.db2.gz UEMXEDRKLUPAPD-GFCCVEGCSA-N 2 2 311.393 0.831 20 30 DCEDLP N#Cc1c[nH]c2ncnc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)c12 ZINC001158258225 771748054 /nfs/dbraw/zinc/74/80/54/771748054.db2.gz UEMXEDRKLUPAPD-GFCCVEGCSA-N 2 2 311.393 0.831 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161324463 772204613 /nfs/dbraw/zinc/20/46/13/772204613.db2.gz VWHUFGZTWFTIMR-CQSZACIVSA-N 2 2 318.421 0.569 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161324463 772204618 /nfs/dbraw/zinc/20/46/18/772204618.db2.gz VWHUFGZTWFTIMR-CQSZACIVSA-N 2 2 318.421 0.569 20 30 DCEDLP CC#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)(COC)CC1 ZINC001162628969 772400770 /nfs/dbraw/zinc/40/07/70/772400770.db2.gz NMIWIDNZPKGLBJ-UHFFFAOYSA-N 2 2 318.421 0.751 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197921990 773823800 /nfs/dbraw/zinc/82/38/00/773823800.db2.gz FHTBOWQCLYRINR-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001197921990 773823808 /nfs/dbraw/zinc/82/38/08/773823808.db2.gz FHTBOWQCLYRINR-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197921990 773823814 /nfs/dbraw/zinc/82/38/14/773823814.db2.gz FHTBOWQCLYRINR-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197921990 773823818 /nfs/dbraw/zinc/82/38/18/773823818.db2.gz FHTBOWQCLYRINR-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067458 774356049 /nfs/dbraw/zinc/35/60/49/774356049.db2.gz SHQKTKLSUSKQEO-JKSUJKDBSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067458 774356056 /nfs/dbraw/zinc/35/60/56/774356056.db2.gz SHQKTKLSUSKQEO-JKSUJKDBSA-N 2 2 316.405 0.598 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCO1 ZINC001200832560 774414039 /nfs/dbraw/zinc/41/40/39/774414039.db2.gz WMZHQFHQOFGHRB-ZBFHGGJFSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC001200842701 774415348 /nfs/dbraw/zinc/41/53/48/774415348.db2.gz UOWBXUKRPSVAIK-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001201043224 774444555 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20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273886428 948655404 /nfs/dbraw/zinc/65/54/04/948655404.db2.gz YKSGBXHMBTZIJR-ZBFHGGJFSA-N 2 2 304.394 0.391 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273886428 948655410 /nfs/dbraw/zinc/65/54/10/948655410.db2.gz YKSGBXHMBTZIJR-ZBFHGGJFSA-N 2 2 304.394 0.391 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264370699 948940851 /nfs/dbraw/zinc/94/08/51/948940851.db2.gz IHDJPVKBWCXRDN-UONOGXRCSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264370699 948940859 /nfs/dbraw/zinc/94/08/59/948940859.db2.gz IHDJPVKBWCXRDN-UONOGXRCSA-N 2 2 310.442 0.162 20 30 DCEDLP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001264635961 949051647 /nfs/dbraw/zinc/05/16/47/949051647.db2.gz KWTHMXPVZWKSOU-AWEZNQCLSA-N 2 2 304.394 0.179 20 30 DCEDLP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001264635961 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C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551357 950854461 /nfs/dbraw/zinc/85/44/61/950854461.db2.gz SGKQBRVPGOJNHB-KGLIPLIRSA-N 2 2 319.409 0.073 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001281139036 951322872 /nfs/dbraw/zinc/32/28/72/951322872.db2.gz WSWXQQODJBZITM-CPUCHLNUSA-N 2 2 316.405 0.480 20 30 DCEDLP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001281139036 951322885 /nfs/dbraw/zinc/32/28/85/951322885.db2.gz WSWXQQODJBZITM-CPUCHLNUSA-N 2 2 316.405 0.480 20 30 DCEDLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](CCCC#N)C2)OCC1=O ZINC001274040365 951356793 /nfs/dbraw/zinc/35/67/93/951356793.db2.gz MMVXIJAZQDOKAY-MRXNPFEDSA-N 2 2 317.393 0.527 20 30 DCEDLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](CCCC#N)C2)OCC1=O ZINC001274040365 951356809 /nfs/dbraw/zinc/35/68/09/951356809.db2.gz MMVXIJAZQDOKAY-MRXNPFEDSA-N 2 2 317.393 0.527 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC1(C)C ZINC001332443351 951648931 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DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCC(C)C)C1 ZINC001282522320 953614194 /nfs/dbraw/zinc/61/41/94/953614194.db2.gz BNQSLUHMJGEQGS-INIZCTEOSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCC(C)C)C1 ZINC001282522320 953614200 /nfs/dbraw/zinc/61/42/00/953614200.db2.gz BNQSLUHMJGEQGS-INIZCTEOSA-N 2 2 321.465 0.683 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001282813622 953684694 /nfs/dbraw/zinc/68/46/94/953684694.db2.gz YRFQDILFTFMZLT-HNNXBMFYSA-N 2 2 318.421 0.668 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001282813622 953684701 /nfs/dbraw/zinc/68/47/01/953684701.db2.gz YRFQDILFTFMZLT-HNNXBMFYSA-N 2 2 318.421 0.668 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001284517156 955151423 /nfs/dbraw/zinc/15/14/23/955151423.db2.gz SDCBVDUEZKUDPU-OAHLLOKOSA-N 2 2 306.410 0.127 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001284517156 955151429 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20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001382464941 967410102 /nfs/dbraw/zinc/41/01/02/967410102.db2.gz FIRKSCYTNAYGMB-KBPBESRZSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382464941 967410106 /nfs/dbraw/zinc/41/01/06/967410106.db2.gz FIRKSCYTNAYGMB-KBPBESRZSA-N 2 2 317.861 0.974 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507093350 1015980317 /nfs/dbraw/zinc/98/03/17/1015980317.db2.gz VIJKFXPVPYPSKC-CYBMUJFWSA-N 2 2 322.409 0.436 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001508172998 1016679543 /nfs/dbraw/zinc/67/95/43/1016679543.db2.gz CRROGWGASUFYJP-UHFFFAOYSA-N 2 2 318.421 0.460 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001437540893 1007111736 /nfs/dbraw/zinc/11/17/36/1007111736.db2.gz MZJJWUGLEQFMKF-UHFFFAOYSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001437540893 1007111744 /nfs/dbraw/zinc/11/17/44/1007111744.db2.gz MZJJWUGLEQFMKF-UHFFFAOYSA-N 2 2 303.834 0.898 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001479306405 1017489470 /nfs/dbraw/zinc/48/94/70/1017489470.db2.gz REDLLTVCAJOEQB-KFWWJZLASA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001506851432 1017614263 /nfs/dbraw/zinc/61/42/63/1017614263.db2.gz HVFZIIWIFNGPGC-CHWSQXEVSA-N 2 2 312.801 0.841 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001494726215 1017985773 /nfs/dbraw/zinc/98/57/73/1017985773.db2.gz HCPFZJBTHJENNN-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001494726215 1017985783 /nfs/dbraw/zinc/98/57/83/1017985783.db2.gz HCPFZJBTHJENNN-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1nccn1C ZINC001495004941 1018227547 /nfs/dbraw/zinc/22/75/47/1018227547.db2.gz XAYWJMPWYAMUGE-CABCVRRESA-N 2 2 317.437 0.502 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1nccn1C ZINC001495004941 1018227562 /nfs/dbraw/zinc/22/75/62/1018227562.db2.gz XAYWJMPWYAMUGE-CABCVRRESA-N 2 2 317.437 0.502 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001498062448 1018625429 /nfs/dbraw/zinc/62/54/29/1018625429.db2.gz ITXXWDRCBVUGHA-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001493405343 1019401299 /nfs/dbraw/zinc/40/12/99/1019401299.db2.gz WFDYYWJRMACTEH-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001493405343 1019401311 /nfs/dbraw/zinc/40/13/11/1019401311.db2.gz WFDYYWJRMACTEH-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001493405343 1019401322 /nfs/dbraw/zinc/40/13/22/1019401322.db2.gz WFDYYWJRMACTEH-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001493405343 1019401332 /nfs/dbraw/zinc/40/13/32/1019401332.db2.gz WFDYYWJRMACTEH-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)CCCC[NH+](C)C ZINC001494106393 1019986973 /nfs/dbraw/zinc/98/69/73/1019986973.db2.gz CBUGINIMVQHXIK-UHFFFAOYSA-N 2 2 309.458 0.318 20 30 DCEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000269946905 238262394 /nfs/dbraw/zinc/26/23/94/238262394.db2.gz HVQLNKKZDIXUGF-UHFFFAOYSA-N 3 2 305.426 0.559 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000491253112 241111364 /nfs/dbraw/zinc/11/13/64/241111364.db2.gz LWNFLANGIBLKHJ-AEFFLSMTSA-N 2 2 319.449 0.151 20 30 DCEDLP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000264103171 533551049 /nfs/dbraw/zinc/55/10/49/533551049.db2.gz OPPYWRCYXTVWAQ-CYBMUJFWSA-N 2 2 322.409 0.439 20 30 DCEDLP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCO2)cc1OC ZINC000264103171 533551050 /nfs/dbraw/zinc/55/10/50/533551050.db2.gz OPPYWRCYXTVWAQ-CYBMUJFWSA-N 2 2 322.409 0.439 20 30 DCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@](O)(CC#N)C2)CC1 ZINC000591994137 397055595 /nfs/dbraw/zinc/05/55/95/397055595.db2.gz BEUKKCJHGLFBPR-MRXNPFEDSA-N 2 2 323.441 0.072 20 30 DCEDLP C[NH+](C)CCOc1cc(C(=O)N[C@](C)(C#N)C[NH+](C)C)ccn1 ZINC000602331994 397375252 /nfs/dbraw/zinc/37/52/52/397375252.db2.gz IUZDTIWFPCWMQW-MRXNPFEDSA-N 2 2 319.409 0.596 20 30 DCEDLP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000594441519 397550929 /nfs/dbraw/zinc/55/09/29/397550929.db2.gz SIQWXUWILPWJRN-GJZGRUSLSA-N 2 2 308.426 0.721 20 30 DCEDLP CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609672665 397789977 /nfs/dbraw/zinc/78/99/77/397789977.db2.gz JOHJURKSELQFOP-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CCN(CCC#N)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609672665 397789979 /nfs/dbraw/zinc/78/99/79/397789979.db2.gz JOHJURKSELQFOP-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244376 415692400 /nfs/dbraw/zinc/69/24/00/415692400.db2.gz XLMNDALVPLXGQS-LBPRGKRZSA-N 2 2 305.382 0.920 20 30 DCEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328880464 416137288 /nfs/dbraw/zinc/13/72/88/416137288.db2.gz VXZRIHVAKUKULP-CHWSQXEVSA-N 2 2 307.398 0.454 20 30 DCEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328880464 416137292 /nfs/dbraw/zinc/13/72/92/416137292.db2.gz VXZRIHVAKUKULP-CHWSQXEVSA-N 2 2 307.398 0.454 20 30 DCEDLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330270632 416199078 /nfs/dbraw/zinc/19/90/78/416199078.db2.gz UNQJFHRGZDQJOH-GFCCVEGCSA-N 2 2 311.430 0.926 20 30 DCEDLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330270632 416199082 /nfs/dbraw/zinc/19/90/82/416199082.db2.gz UNQJFHRGZDQJOH-GFCCVEGCSA-N 2 2 311.430 0.926 20 30 DCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@H](CCO)C2)CC1 ZINC000330492889 416212471 /nfs/dbraw/zinc/21/24/71/416212471.db2.gz RQDCBUOOHIZWHK-AWEZNQCLSA-N 2 2 312.458 0.631 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000330865050 416242787 /nfs/dbraw/zinc/24/27/87/416242787.db2.gz YTWWMRLINMFVPT-UHFFFAOYSA-N 2 2 300.406 0.958 20 30 DCEDLP C#CC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000192221823 416302009 /nfs/dbraw/zinc/30/20/09/416302009.db2.gz AUADTMIQSSDNDS-UHFFFAOYSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000192221823 416302014 /nfs/dbraw/zinc/30/20/14/416302014.db2.gz AUADTMIQSSDNDS-UHFFFAOYSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491514323 416603253 /nfs/dbraw/zinc/60/32/53/416603253.db2.gz HMOFJYWWJUIYPR-INIZCTEOSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000491514323 416603258 /nfs/dbraw/zinc/60/32/58/416603258.db2.gz HMOFJYWWJUIYPR-INIZCTEOSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000490761890 416574317 /nfs/dbraw/zinc/57/43/17/416574317.db2.gz XTWYXRZOHZKNNF-UHFFFAOYSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000490780631 416575191 /nfs/dbraw/zinc/57/51/91/416575191.db2.gz NAPKBHHJKLBXHQ-QGZVFWFLSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000490780631 416575196 /nfs/dbraw/zinc/57/51/96/416575196.db2.gz NAPKBHHJKLBXHQ-QGZVFWFLSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000490865312 416578441 /nfs/dbraw/zinc/57/84/41/416578441.db2.gz ANQHBHXDUSWNMI-SJORKVTESA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000490865312 416578443 /nfs/dbraw/zinc/57/84/43/416578443.db2.gz ANQHBHXDUSWNMI-SJORKVTESA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(CO)CCC)CC1 ZINC000491712815 416617815 /nfs/dbraw/zinc/61/78/15/416617815.db2.gz AWHUVZVCLYFUAK-KRWDZBQOSA-N 2 2 307.438 0.391 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(CO)CCC)CC1 ZINC000491712815 416617818 /nfs/dbraw/zinc/61/78/18/416617818.db2.gz AWHUVZVCLYFUAK-KRWDZBQOSA-N 2 2 307.438 0.391 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCO[C@H](C#N)C3)C2)CC1 ZINC000369375878 416764725 /nfs/dbraw/zinc/76/47/25/416764725.db2.gz ZKPDLSDZPBTLSP-DZGCQCFKSA-N 2 2 321.425 0.089 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCO[C@H](C#N)C3)C2)CC1 ZINC000369375878 416764731 /nfs/dbraw/zinc/76/47/31/416764731.db2.gz ZKPDLSDZPBTLSP-DZGCQCFKSA-N 2 2 321.425 0.089 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762799 417737577 /nfs/dbraw/zinc/73/75/77/417737577.db2.gz OKNWSILAPPXJGA-RDJZCZTQSA-N 2 2 309.454 0.964 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762799 417737581 /nfs/dbraw/zinc/73/75/81/417737581.db2.gz OKNWSILAPPXJGA-RDJZCZTQSA-N 2 2 309.454 0.964 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329964114 336100375 /nfs/dbraw/zinc/10/03/75/336100375.db2.gz QHCNIPZOKTWGLQ-SNPRPXQTSA-N 2 2 321.425 0.756 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329964114 336100377 /nfs/dbraw/zinc/10/03/77/336100377.db2.gz QHCNIPZOKTWGLQ-SNPRPXQTSA-N 2 2 321.425 0.756 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000329964114 336100379 /nfs/dbraw/zinc/10/03/79/336100379.db2.gz QHCNIPZOKTWGLQ-SNPRPXQTSA-N 2 2 321.425 0.756 20 30 DCEDLP Cc1[nH+]ccn1C[C@H](C)C[NH+]=C([O-])N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000329964114 336100380 /nfs/dbraw/zinc/10/03/80/336100380.db2.gz QHCNIPZOKTWGLQ-SNPRPXQTSA-N 2 2 321.425 0.756 20 30 DCEDLP N#CCCN(CC[NH+]1CCOCC1)CC[N@H+]1CCCOCC1 ZINC000429677209 338087133 /nfs/dbraw/zinc/08/71/33/338087133.db2.gz AETOLSOCITZUAU-UHFFFAOYSA-N 2 2 310.442 0.257 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000491634994 339869929 /nfs/dbraw/zinc/86/99/29/339869929.db2.gz RPFGBMROVDGFIQ-CYBMUJFWSA-N 2 2 302.378 0.350 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H](O)CC)CC1 ZINC000304734547 340368137 /nfs/dbraw/zinc/36/81/37/340368137.db2.gz RWQDYDJDNYYLDY-CVEARBPZSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](O)CC)CC1 ZINC000304734547 340368138 /nfs/dbraw/zinc/36/81/38/340368138.db2.gz RWQDYDJDNYYLDY-CVEARBPZSA-N 2 2 307.438 0.389 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001569362244 1161027403 /nfs/dbraw/zinc/02/74/03/1161027403.db2.gz XHTRYYIZFVGUJP-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001569362244 1161027412 /nfs/dbraw/zinc/02/74/12/1161027412.db2.gz XHTRYYIZFVGUJP-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001569362244 1161027418 /nfs/dbraw/zinc/02/74/18/1161027418.db2.gz XHTRYYIZFVGUJP-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001569362244 1161027430 /nfs/dbraw/zinc/02/74/30/1161027430.db2.gz XHTRYYIZFVGUJP-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000375596873 526480381 /nfs/dbraw/zinc/48/03/81/526480381.db2.gz LDAPJZGEHGCKGP-HZPDHXFCSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000375596873 526480384 /nfs/dbraw/zinc/48/03/84/526480384.db2.gz LDAPJZGEHGCKGP-HZPDHXFCSA-N 2 2 306.454 0.485 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)CC1 ZINC000374382618 526920121 /nfs/dbraw/zinc/92/01/21/526920121.db2.gz AUKVAXAGWNVEGP-KRWDZBQOSA-N 2 2 312.417 0.900 20 30 DCEDLP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000328813609 546040330 /nfs/dbraw/zinc/04/03/30/546040330.db2.gz NJWFCVFQKZXXME-OLZOCXBDSA-N 2 2 317.455 0.073 20 30 DCEDLP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000977955759 660461472 /nfs/dbraw/zinc/46/14/72/660461472.db2.gz 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/nfs/dbraw/zinc/44/30/40/670443040.db2.gz XMSRLDAIXVQNAU-INIZCTEOSA-N 2 2 308.470 0.426 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000809193715 670443041 /nfs/dbraw/zinc/44/30/41/670443041.db2.gz XMSRLDAIXVQNAU-INIZCTEOSA-N 2 2 308.470 0.426 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000809193715 670443043 /nfs/dbraw/zinc/44/30/43/670443043.db2.gz XMSRLDAIXVQNAU-INIZCTEOSA-N 2 2 308.470 0.426 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000809193715 670443045 /nfs/dbraw/zinc/44/30/45/670443045.db2.gz XMSRLDAIXVQNAU-INIZCTEOSA-N 2 2 308.470 0.426 20 30 DCEDLP C=CCS(=O)(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849017507 670750800 /nfs/dbraw/zinc/75/08/00/670750800.db2.gz KVXKMZJFRQCTLV-LBPRGKRZSA-N 2 2 302.444 0.185 20 30 DCEDLP C=CCS(=O)(=O)CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000849017507 670750804 /nfs/dbraw/zinc/75/08/04/670750804.db2.gz KVXKMZJFRQCTLV-LBPRGKRZSA-N 2 2 302.444 0.185 20 30 DCEDLP C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238218 670983123 /nfs/dbraw/zinc/98/31/23/670983123.db2.gz HDJSWOQPFNGDEG-HUUCEWRRSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238218 670983127 /nfs/dbraw/zinc/98/31/27/670983127.db2.gz HDJSWOQPFNGDEG-HUUCEWRRSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000860030487 671169944 /nfs/dbraw/zinc/16/99/44/671169944.db2.gz QRWMUNBCIWGBDG-UHFFFAOYSA-N 2 2 307.438 0.703 20 30 DCEDLP CC(C)[C@H](CNC(=[NH2+])N1CCSCC1)[NH+]1CCN(C)CC1 ZINC000303793249 685207444 /nfs/dbraw/zinc/20/74/44/685207444.db2.gz ZFEFQSSROHHFJW-AWEZNQCLSA-N 2 2 313.515 0.622 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000960348198 688355732 /nfs/dbraw/zinc/35/57/32/688355732.db2.gz QZCVECBEBHLPLK-WFDULOQMSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000960348198 688355734 /nfs/dbraw/zinc/35/57/34/688355734.db2.gz QZCVECBEBHLPLK-WFDULOQMSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC000960348198 688355740 /nfs/dbraw/zinc/35/57/40/688355740.db2.gz QZCVECBEBHLPLK-WFDULOQMSA-N 2 2 307.825 0.883 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC000960348198 688355744 /nfs/dbraw/zinc/35/57/44/688355744.db2.gz QZCVECBEBHLPLK-WFDULOQMSA-N 2 2 307.825 0.883 20 30 DCEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001017847577 692997515 /nfs/dbraw/zinc/99/75/15/692997515.db2.gz SBEMHDVDNHHCHV-XHSDSOJGSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001017847577 692997519 /nfs/dbraw/zinc/99/75/19/692997519.db2.gz SBEMHDVDNHHCHV-XHSDSOJGSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017847577 692997523 /nfs/dbraw/zinc/99/75/23/692997523.db2.gz SBEMHDVDNHHCHV-XHSDSOJGSA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017847577 692997527 /nfs/dbraw/zinc/99/75/27/692997527.db2.gz SBEMHDVDNHHCHV-XHSDSOJGSA-N 2 2 307.438 0.957 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018048174 693035348 /nfs/dbraw/zinc/03/53/48/693035348.db2.gz DZKSEQXPYUPEMH-IYBDPMFKSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001018048174 693035349 /nfs/dbraw/zinc/03/53/49/693035349.db2.gz DZKSEQXPYUPEMH-IYBDPMFKSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001018986291 693308004 /nfs/dbraw/zinc/30/80/04/693308004.db2.gz XNZVKRWJYYNYKN-GJZGRUSLSA-N 2 2 316.405 0.771 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001018986291 693308010 /nfs/dbraw/zinc/30/80/10/693308010.db2.gz XNZVKRWJYYNYKN-GJZGRUSLSA-N 2 2 316.405 0.771 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073667467 694762663 /nfs/dbraw/zinc/76/26/63/694762663.db2.gz GXWSACCYUUUDKU-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001073667467 694762664 /nfs/dbraw/zinc/76/26/64/694762664.db2.gz GXWSACCYUUUDKU-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001571504671 1162787175 /nfs/dbraw/zinc/78/71/75/1162787175.db2.gz HIVIKWMBDJRKLD-WBVHZDCISA-N 2 2 316.405 0.646 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001571504671 1162787181 /nfs/dbraw/zinc/78/71/81/1162787181.db2.gz HIVIKWMBDJRKLD-WBVHZDCISA-N 2 2 316.405 0.646 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001571602874 1162848633 /nfs/dbraw/zinc/84/86/33/1162848633.db2.gz OTRHPQYOYPIAET-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001571602874 1162848641 /nfs/dbraw/zinc/84/86/41/1162848641.db2.gz OTRHPQYOYPIAET-HUUCEWRRSA-N 2 2 318.421 0.220 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690967729 1157383274 /nfs/dbraw/zinc/38/32/74/1157383274.db2.gz HUEUOSFMOZVAHP-CQSZACIVSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001690967729 1157383280 /nfs/dbraw/zinc/38/32/80/1157383280.db2.gz HUEUOSFMOZVAHP-CQSZACIVSA-N 2 2 324.469 0.600 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001691153306 1157599555 /nfs/dbraw/zinc/59/95/55/1157599555.db2.gz REDLLTVCAJOEQB-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001566461632 1159992717 /nfs/dbraw/zinc/99/27/17/1159992717.db2.gz GSROJSQFFNKHOH-HNNXBMFYSA-N 2 2 304.394 0.710 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001566461632 1159992723 /nfs/dbraw/zinc/99/27/23/1159992723.db2.gz GSROJSQFFNKHOH-HNNXBMFYSA-N 2 2 304.394 0.710 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccon1 ZINC001566461632 1159992728 /nfs/dbraw/zinc/99/27/28/1159992728.db2.gz GSROJSQFFNKHOH-HNNXBMFYSA-N 2 2 304.394 0.710 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccon1 ZINC001566461632 1159992735 /nfs/dbraw/zinc/99/27/35/1159992735.db2.gz GSROJSQFFNKHOH-HNNXBMFYSA-N 2 2 304.394 0.710 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccon1 ZINC001568748984 1160759631 /nfs/dbraw/zinc/75/96/31/1160759631.db2.gz RTVJGMCAEVTADL-HNNXBMFYSA-N 2 2 304.394 0.710 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccon1 ZINC001568748984 1160759632 /nfs/dbraw/zinc/75/96/32/1160759632.db2.gz RTVJGMCAEVTADL-HNNXBMFYSA-N 2 2 304.394 0.710 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568875009 1160836970 /nfs/dbraw/zinc/83/69/70/1160836970.db2.gz GAEMFWGSKCPZCF-MPNWYJEXSA-N 2 2 316.405 0.357 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001570155842 1161457055 /nfs/dbraw/zinc/45/70/55/1161457055.db2.gz UBIZPWWXHYQMSK-HIFRSBDPSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001570155842 1161457064 /nfs/dbraw/zinc/45/70/64/1161457064.db2.gz UBIZPWWXHYQMSK-HIFRSBDPSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CO2 ZINC001570248419 1161523291 /nfs/dbraw/zinc/52/32/91/1161523291.db2.gz WHCZAXVJTCRNRP-CABCVRRESA-N 2 2 307.438 0.555 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001626673595 1171486361 /nfs/dbraw/zinc/48/63/61/1171486361.db2.gz GXTVLKLPIVOAFI-OAHLLOKOSA-N 2 2 313.467 0.428 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C#N ZINC001638116803 1171786643 /nfs/dbraw/zinc/78/66/43/1171786643.db2.gz FPSXCSFNZRBEFU-NXEZZACHSA-N 2 2 313.365 0.899 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C#N ZINC001638116803 1171786648 /nfs/dbraw/zinc/78/66/48/1171786648.db2.gz FPSXCSFNZRBEFU-NXEZZACHSA-N 2 2 313.365 0.899 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001656101924 1173838571 /nfs/dbraw/zinc/83/85/71/1173838571.db2.gz FRIDHVOVRUSYGM-AWEZNQCLSA-N 2 2 306.410 0.698 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001656101924 1173838575 /nfs/dbraw/zinc/83/85/75/1173838575.db2.gz FRIDHVOVRUSYGM-AWEZNQCLSA-N 2 2 306.410 0.698 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001660855844 1174057028 /nfs/dbraw/zinc/05/70/28/1174057028.db2.gz SEADASZHZZXWSM-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001660855844 1174057033 /nfs/dbraw/zinc/05/70/33/1174057033.db2.gz SEADASZHZZXWSM-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001661890176 1174166933 /nfs/dbraw/zinc/16/69/33/1174166933.db2.gz CBSFXTFPJJCYAE-GJZGRUSLSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001661890176 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NHHKOOCLCPLAHR-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001672137186 1175082868 /nfs/dbraw/zinc/08/28/68/1175082868.db2.gz BASHXOAIZZZMDN-AWEZNQCLSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001677160350 1175540272 /nfs/dbraw/zinc/54/02/72/1175540272.db2.gz FBHAHSDAASUVEK-ZBFHGGJFSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001677160350 1175540275 /nfs/dbraw/zinc/54/02/75/1175540275.db2.gz FBHAHSDAASUVEK-ZBFHGGJFSA-N 2 2 320.437 0.773 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001687638214 1176277208 /nfs/dbraw/zinc/27/72/08/1176277208.db2.gz CBDIQMILXOGECQ-UHFFFAOYSA-N 2 2 309.439 0.569 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001690113738 1177173699 /nfs/dbraw/zinc/17/36/99/1177173699.db2.gz SMEJCDUWWADHTC-UHFFFAOYSA-N 2 2 318.469 0.930 20 30 DCEDLP 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2 304.394 0.525 20 30 DCEDLP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001724026889 1184368436 /nfs/dbraw/zinc/36/84/36/1184368436.db2.gz FNEKQFXKAPULQX-HNNXBMFYSA-N 2 2 316.405 0.573 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001724819460 1184574266 /nfs/dbraw/zinc/57/42/66/1184574266.db2.gz GVEPJMPTIZRFDZ-DZGCQCFKSA-N 2 2 306.410 0.981 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001724819460 1184574269 /nfs/dbraw/zinc/57/42/69/1184574269.db2.gz GVEPJMPTIZRFDZ-DZGCQCFKSA-N 2 2 306.410 0.981 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731813691 1185500572 /nfs/dbraw/zinc/50/05/72/1185500572.db2.gz VGSUIQYYOCZNBF-HNNXBMFYSA-N 2 2 306.410 0.922 20 30 DCEDLP CC[N@H+](CC#CCOC)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001731813691 1185500576 /nfs/dbraw/zinc/50/05/76/1185500576.db2.gz VGSUIQYYOCZNBF-HNNXBMFYSA-N 2 2 306.410 0.922 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001732040768 1185641980 /nfs/dbraw/zinc/64/19/80/1185641980.db2.gz LEWSJVAPJCQDIS-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001732040768 1185641984 /nfs/dbraw/zinc/64/19/84/1185641984.db2.gz LEWSJVAPJCQDIS-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](CC#C)CC1 ZINC001733370687 1186243211 /nfs/dbraw/zinc/24/32/11/1186243211.db2.gz JSEKRFYMRMAVTL-UHFFFAOYSA-N 2 2 312.417 0.912 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001733488692 1186297977 /nfs/dbraw/zinc/29/79/77/1186297977.db2.gz OTIYITGOSYXQFN-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001733488692 1186297987 /nfs/dbraw/zinc/29/79/87/1186297987.db2.gz OTIYITGOSYXQFN-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001733500461 1186309572 /nfs/dbraw/zinc/30/95/72/1186309572.db2.gz HXJHRCUMFCMXGC-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=CCCCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001733500461 1186309576 /nfs/dbraw/zinc/30/95/76/1186309576.db2.gz HXJHRCUMFCMXGC-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCOCC1 ZINC001733830591 1186465874 /nfs/dbraw/zinc/46/58/74/1186465874.db2.gz JGCASSZJCPLWKM-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001733848199 1186474528 /nfs/dbraw/zinc/47/45/28/1186474528.db2.gz QOYXKADOQKTZAI-SWLSCSKDSA-N 2 2 304.394 0.810 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001734063012 1186535548 /nfs/dbraw/zinc/53/55/48/1186535548.db2.gz XUDPMKGHUPJWKZ-QWHCGFSZSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001734063012 1186535549 /nfs/dbraw/zinc/53/55/49/1186535549.db2.gz XUDPMKGHUPJWKZ-QWHCGFSZSA-N 2 2 321.425 0.090 20 30 DCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001752895028 1188457371 /nfs/dbraw/zinc/45/73/71/1188457371.db2.gz NRRZYPFNOVVJCS-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001752895028 1188457372 /nfs/dbraw/zinc/45/73/72/1188457372.db2.gz NRRZYPFNOVVJCS-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001753640193 1188628557 /nfs/dbraw/zinc/62/85/57/1188628557.db2.gz QLBOSUIOTRHKNI-NVXWUHKLSA-N 2 2 321.465 0.995 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001753640193 1188628559 /nfs/dbraw/zinc/62/85/59/1188628559.db2.gz QLBOSUIOTRHKNI-NVXWUHKLSA-N 2 2 321.465 0.995 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001754537497 1188876933 /nfs/dbraw/zinc/87/69/33/1188876933.db2.gz ZTLQTJPHPPOMGN-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCOC)CC1 ZINC001754639690 1188895712 /nfs/dbraw/zinc/89/57/12/1188895712.db2.gz SFBICZFRGCXDPG-UHFFFAOYSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001755306659 1189075783 /nfs/dbraw/zinc/07/57/83/1189075783.db2.gz PFQYQFAQQUANOS-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001755306659 1189075788 /nfs/dbraw/zinc/07/57/88/1189075788.db2.gz PFQYQFAQQUANOS-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001755392503 1189100236 /nfs/dbraw/zinc/10/02/36/1189100236.db2.gz VFKDXPVYSXHGHK-CYBMUJFWSA-N 2 2 304.394 0.278 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755688192 1189185103 /nfs/dbraw/zinc/18/51/03/1189185103.db2.gz HBYKLPFNWPSQEZ-DGCLKSJQSA-N 2 2 319.409 0.142 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001755793343 1189216451 /nfs/dbraw/zinc/21/64/51/1189216451.db2.gz OMFJSUQLJJDYRN-UKRRQHHQSA-N 2 2 306.410 0.431 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCO ZINC001089652959 751506441 /nfs/dbraw/zinc/50/64/41/751506441.db2.gz MKOLTLSRLVJXQK-HOTGVXAUSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[NH+]1CCO ZINC001089652959 751506444 /nfs/dbraw/zinc/50/64/44/751506444.db2.gz MKOLTLSRLVJXQK-HOTGVXAUSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCO ZINC001089652959 751506447 /nfs/dbraw/zinc/50/64/47/751506447.db2.gz MKOLTLSRLVJXQK-HOTGVXAUSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCO ZINC001089652959 751506452 /nfs/dbraw/zinc/50/64/52/751506452.db2.gz MKOLTLSRLVJXQK-HOTGVXAUSA-N 2 2 321.465 0.683 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781600 751782535 /nfs/dbraw/zinc/78/25/35/751782535.db2.gz OEPFWEHFELSBDG-WWGRRREGSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781600 751782540 /nfs/dbraw/zinc/78/25/40/751782540.db2.gz OEPFWEHFELSBDG-WWGRRREGSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781600 751782548 /nfs/dbraw/zinc/78/25/48/751782548.db2.gz OEPFWEHFELSBDG-WWGRRREGSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C(C)C)[NH+](C)C)nn2)C1 ZINC001107180202 751933016 /nfs/dbraw/zinc/93/30/16/751933016.db2.gz GPXRDJPOJSPNBF-HNNXBMFYSA-N 2 2 320.441 0.523 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CCC[NH+](C)C)nn2)C1 ZINC001107200111 751945857 /nfs/dbraw/zinc/94/58/57/751945857.db2.gz YEJRSUPZVPVACR-UHFFFAOYSA-N 2 2 306.414 0.279 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[N@@H+](C)CCC)nn2)C1 ZINC001107230737 751962367 /nfs/dbraw/zinc/96/23/67/751962367.db2.gz XJRZMMKBXAHHLC-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CC[N@H+](C)CCC)nn2)C1 ZINC001107230737 751962374 /nfs/dbraw/zinc/96/23/74/751962374.db2.gz XJRZMMKBXAHHLC-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098532759 747018985 /nfs/dbraw/zinc/01/89/85/747018985.db2.gz CXXYMURXYHOZOT-UHFFFAOYSA-N 2 2 318.421 0.271 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098532759 747018994 /nfs/dbraw/zinc/01/89/94/747018994.db2.gz CXXYMURXYHOZOT-UHFFFAOYSA-N 2 2 318.421 0.271 20 30 DCEDLP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098533165 747024379 /nfs/dbraw/zinc/02/43/79/747024379.db2.gz VIJQPKZRCKGWRY-UHFFFAOYSA-N 2 2 320.437 0.824 20 30 DCEDLP C=C(C)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098533165 747024387 /nfs/dbraw/zinc/02/43/87/747024387.db2.gz VIJQPKZRCKGWRY-UHFFFAOYSA-N 2 2 320.437 0.824 20 30 DCEDLP COCC#CC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871281 748321614 /nfs/dbraw/zinc/32/16/14/748321614.db2.gz KRPXIPSHATZCEC-UHFFFAOYSA-N 2 2 304.394 0.097 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077670610 752263991 /nfs/dbraw/zinc/26/39/91/752263991.db2.gz AYNBEHLPFKNSJS-NWANDNLSSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001077670610 752263997 /nfs/dbraw/zinc/26/39/97/752263997.db2.gz AYNBEHLPFKNSJS-NWANDNLSSA-N 2 2 304.394 0.101 20 30 DCEDLP CC#CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514249 748434244 /nfs/dbraw/zinc/43/42/44/748434244.db2.gz MCNGPIBTNNHXOB-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514249 748434246 /nfs/dbraw/zinc/43/42/46/748434246.db2.gz MCNGPIBTNNHXOB-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143333 761934229 /nfs/dbraw/zinc/93/42/29/761934229.db2.gz RKUOGVSSSJVXJW-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143333 761934233 /nfs/dbraw/zinc/93/42/33/761934233.db2.gz RKUOGVSSSJVXJW-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143333 761934237 /nfs/dbraw/zinc/93/42/37/761934237.db2.gz RKUOGVSSSJVXJW-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H](O)C1 ZINC001100143333 761934244 /nfs/dbraw/zinc/93/42/44/761934244.db2.gz RKUOGVSSSJVXJW-IAGOWNOFSA-N 2 2 315.417 0.303 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026787 749747009 /nfs/dbraw/zinc/74/70/09/749747009.db2.gz YYPDGBYQUQIMIW-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026787 749747016 /nfs/dbraw/zinc/74/70/16/749747016.db2.gz YYPDGBYQUQIMIW-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026787 749747020 /nfs/dbraw/zinc/74/70/20/749747020.db2.gz YYPDGBYQUQIMIW-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026787 749747030 /nfs/dbraw/zinc/74/70/30/749747030.db2.gz YYPDGBYQUQIMIW-QLFBSQMISA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001112868256 761984767 /nfs/dbraw/zinc/98/47/67/761984767.db2.gz KHTIUPKWDBJRPC-JKSUJKDBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001112868256 761984771 /nfs/dbraw/zinc/98/47/71/761984771.db2.gz KHTIUPKWDBJRPC-JKSUJKDBSA-N 2 2 323.437 0.196 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083499048 750038194 /nfs/dbraw/zinc/03/81/94/750038194.db2.gz DOIHMCOXYVEVCX-OLZOCXBDSA-N 2 2 309.435 0.771 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083499048 750038201 /nfs/dbraw/zinc/03/82/01/750038201.db2.gz DOIHMCOXYVEVCX-OLZOCXBDSA-N 2 2 309.435 0.771 20 30 DCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815375 750078112 /nfs/dbraw/zinc/07/81/12/750078112.db2.gz MPKDYDKZGQGGEL-PMPSAXMXSA-N 2 2 307.438 0.698 20 30 DCEDLP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815375 750078117 /nfs/dbraw/zinc/07/81/17/750078117.db2.gz MPKDYDKZGQGGEL-PMPSAXMXSA-N 2 2 307.438 0.698 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001083535624 750116197 /nfs/dbraw/zinc/11/61/97/750116197.db2.gz BJHJVAJDTBPFAW-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083535624 750116201 /nfs/dbraw/zinc/11/62/01/750116201.db2.gz BJHJVAJDTBPFAW-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)C[C@@H]1O ZINC001083535624 750116206 /nfs/dbraw/zinc/11/62/06/750116206.db2.gz BJHJVAJDTBPFAW-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC2CCC2)C[C@@H]1O ZINC001083535624 750116210 /nfs/dbraw/zinc/11/62/10/750116210.db2.gz BJHJVAJDTBPFAW-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077309804 750339114 /nfs/dbraw/zinc/33/91/14/750339114.db2.gz HRPGQOBVSCVZFO-HUUCEWRRSA-N 2 2 300.362 0.685 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077309804 750339125 /nfs/dbraw/zinc/33/91/25/750339125.db2.gz HRPGQOBVSCVZFO-HUUCEWRRSA-N 2 2 300.362 0.685 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168500301 751267865 /nfs/dbraw/zinc/26/78/65/751267865.db2.gz VXTHJTSRJWZQFY-UHFFFAOYSA-N 2 2 319.409 0.061 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996645 752848774 /nfs/dbraw/zinc/84/87/74/752848774.db2.gz DIHDNHVLXWMECL-QGZVFWFLSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996645 752848779 /nfs/dbraw/zinc/84/87/79/752848779.db2.gz DIHDNHVLXWMECL-QGZVFWFLSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107996645 752848784 /nfs/dbraw/zinc/84/87/84/752848784.db2.gz DIHDNHVLXWMECL-QGZVFWFLSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107996645 752848790 /nfs/dbraw/zinc/84/87/90/752848790.db2.gz DIHDNHVLXWMECL-QGZVFWFLSA-N 2 2 307.438 0.701 20 30 DCEDLP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046064494 753458334 /nfs/dbraw/zinc/45/83/34/753458334.db2.gz OLKPKWBGPQZOSZ-JKSUJKDBSA-N 2 2 319.453 0.213 20 30 DCEDLP C[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046064494 753458338 /nfs/dbraw/zinc/45/83/38/753458338.db2.gz OLKPKWBGPQZOSZ-JKSUJKDBSA-N 2 2 319.453 0.213 20 30 DCEDLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064823 753458468 /nfs/dbraw/zinc/45/84/68/753458468.db2.gz VOZDXKZWHVTJSO-JKSUJKDBSA-N 2 2 319.453 0.070 20 30 DCEDLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064823 753458471 /nfs/dbraw/zinc/45/84/71/753458471.db2.gz VOZDXKZWHVTJSO-JKSUJKDBSA-N 2 2 319.453 0.070 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065689 753458518 /nfs/dbraw/zinc/45/85/18/753458518.db2.gz BXJWWPXVTPMRSW-MRXNPFEDSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065689 753458521 /nfs/dbraw/zinc/45/85/21/753458521.db2.gz BXJWWPXVTPMRSW-MRXNPFEDSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073747 753465515 /nfs/dbraw/zinc/46/55/15/753465515.db2.gz LHCNAYMYYVMHAE-OAHLLOKOSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073747 753465518 /nfs/dbraw/zinc/46/55/18/753465518.db2.gz LHCNAYMYYVMHAE-OAHLLOKOSA-N 2 2 317.437 0.747 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047388519 754234625 /nfs/dbraw/zinc/23/46/25/754234625.db2.gz AAEVEUCVHLYMSO-GJZGRUSLSA-N 2 2 318.421 0.451 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001047388519 754234629 /nfs/dbraw/zinc/23/46/29/754234629.db2.gz AAEVEUCVHLYMSO-GJZGRUSLSA-N 2 2 318.421 0.451 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409299 754256542 /nfs/dbraw/zinc/25/65/42/754256542.db2.gz RMGGZPWXRPMNQO-ULQDDVLXSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409299 754256544 /nfs/dbraw/zinc/25/65/44/754256544.db2.gz RMGGZPWXRPMNQO-ULQDDVLXSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047409299 754256547 /nfs/dbraw/zinc/25/65/47/754256547.db2.gz RMGGZPWXRPMNQO-ULQDDVLXSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409299 754256549 /nfs/dbraw/zinc/25/65/49/754256549.db2.gz RMGGZPWXRPMNQO-ULQDDVLXSA-N 2 2 319.449 0.530 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129253174 754591916 /nfs/dbraw/zinc/59/19/16/754591916.db2.gz PQPVCIFLLJPNDE-QLFBSQMISA-N 2 2 320.441 0.392 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911240 755011062 /nfs/dbraw/zinc/01/10/62/755011062.db2.gz AGRHDNYFSHTKKL-OKILXGFUSA-N 2 2 316.405 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911240 755011066 /nfs/dbraw/zinc/01/10/66/755011066.db2.gz AGRHDNYFSHTKKL-OKILXGFUSA-N 2 2 316.405 0.763 20 30 DCEDLP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049391027 755247912 /nfs/dbraw/zinc/24/79/12/755247912.db2.gz FYTAXRHRAZNFDJ-XHSDSOJGSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049391027 755247914 /nfs/dbraw/zinc/24/79/14/755247914.db2.gz FYTAXRHRAZNFDJ-XHSDSOJGSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391027 755247915 /nfs/dbraw/zinc/24/79/15/755247915.db2.gz FYTAXRHRAZNFDJ-XHSDSOJGSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391027 755247916 /nfs/dbraw/zinc/24/79/16/755247916.db2.gz FYTAXRHRAZNFDJ-XHSDSOJGSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108190120 755523932 /nfs/dbraw/zinc/52/39/32/755523932.db2.gz QUHYFWWLFXYAKL-NVXWUHKLSA-N 2 2 309.454 0.803 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108190120 755523935 /nfs/dbraw/zinc/52/39/35/755523935.db2.gz QUHYFWWLFXYAKL-NVXWUHKLSA-N 2 2 309.454 0.803 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC001053510388 756072864 /nfs/dbraw/zinc/07/28/64/756072864.db2.gz JRFBBNNNRBRSHW-UHFFFAOYSA-N 2 2 305.422 0.572 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C1CC[NH+](C)CC1)O2 ZINC001053654926 756135460 /nfs/dbraw/zinc/13/54/60/756135460.db2.gz ALYUVIQTOAMTFQ-OAHLLOKOSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001053766331 756190722 /nfs/dbraw/zinc/19/07/22/756190722.db2.gz LCTLGCFUDWGIDY-CABCVRRESA-N 2 2 323.437 0.243 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001053766331 756190724 /nfs/dbraw/zinc/19/07/24/756190724.db2.gz LCTLGCFUDWGIDY-CABCVRRESA-N 2 2 323.437 0.243 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053926095 756282706 /nfs/dbraw/zinc/28/27/06/756282706.db2.gz VUVSFQZSXASVBM-HUUCEWRRSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053926095 756282710 /nfs/dbraw/zinc/28/27/10/756282710.db2.gz VUVSFQZSXASVBM-HUUCEWRRSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982117 756313186 /nfs/dbraw/zinc/31/31/86/756313186.db2.gz DHPCIKKACKECHP-CABCVRRESA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982117 756313191 /nfs/dbraw/zinc/31/31/91/756313191.db2.gz DHPCIKKACKECHP-CABCVRRESA-N 2 2 305.422 0.311 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053983491 756315906 /nfs/dbraw/zinc/31/59/06/756315906.db2.gz ZKCQIGJSYSYOIX-LSDHHAIUSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053983491 756315910 /nfs/dbraw/zinc/31/59/10/756315910.db2.gz ZKCQIGJSYSYOIX-LSDHHAIUSA-N 2 2 307.438 0.864 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081658836 756743790 /nfs/dbraw/zinc/74/37/90/756743790.db2.gz BGQDIMHVARPFPC-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081658836 756743793 /nfs/dbraw/zinc/74/37/93/756743793.db2.gz BGQDIMHVARPFPC-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081658836 756743795 /nfs/dbraw/zinc/74/37/95/756743795.db2.gz BGQDIMHVARPFPC-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081658836 756743799 /nfs/dbraw/zinc/74/37/99/756743799.db2.gz BGQDIMHVARPFPC-OWCLPIDISA-N 2 2 307.438 0.698 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082073074 756919009 /nfs/dbraw/zinc/91/90/09/756919009.db2.gz TZKFYEZXFIJBEC-HUUCEWRRSA-N 2 2 319.405 0.794 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082073074 756919013 /nfs/dbraw/zinc/91/90/13/756919013.db2.gz TZKFYEZXFIJBEC-HUUCEWRRSA-N 2 2 319.405 0.794 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090377696 757233635 /nfs/dbraw/zinc/23/36/35/757233635.db2.gz LULHCCSGCKMBEZ-OCCSQVGLSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090377696 757233641 /nfs/dbraw/zinc/23/36/41/757233641.db2.gz LULHCCSGCKMBEZ-OCCSQVGLSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083079551 757480725 /nfs/dbraw/zinc/48/07/25/757480725.db2.gz FGFROTACWHNQQO-OWCLPIDISA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083079551 757480716 /nfs/dbraw/zinc/48/07/16/757480716.db2.gz FGFROTACWHNQQO-OWCLPIDISA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083079551 757480720 /nfs/dbraw/zinc/48/07/20/757480720.db2.gz FGFROTACWHNQQO-OWCLPIDISA-N 2 2 307.438 0.957 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083079551 757480728 /nfs/dbraw/zinc/48/07/28/757480728.db2.gz FGFROTACWHNQQO-OWCLPIDISA-N 2 2 307.438 0.957 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085819 757485069 /nfs/dbraw/zinc/48/50/69/757485069.db2.gz NJFUBGLNXARZQX-LVQVYYBASA-N 2 2 305.422 0.262 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085819 757485076 /nfs/dbraw/zinc/48/50/76/757485076.db2.gz NJFUBGLNXARZQX-LVQVYYBASA-N 2 2 305.422 0.262 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085819 757485082 /nfs/dbraw/zinc/48/50/82/757485082.db2.gz NJFUBGLNXARZQX-LVQVYYBASA-N 2 2 305.422 0.262 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085819 757485089 /nfs/dbraw/zinc/48/50/89/757485089.db2.gz NJFUBGLNXARZQX-LVQVYYBASA-N 2 2 305.422 0.262 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001083105234 757498005 /nfs/dbraw/zinc/49/80/05/757498005.db2.gz PRESNAATCZTSEC-QLFBSQMISA-N 2 2 316.405 0.858 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@H]2C1 ZINC001083105234 757498009 /nfs/dbraw/zinc/49/80/09/757498009.db2.gz PRESNAATCZTSEC-QLFBSQMISA-N 2 2 316.405 0.858 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083938578 757561136 /nfs/dbraw/zinc/56/11/36/757561136.db2.gz GVIJFUKCOXPFBZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083938578 757561142 /nfs/dbraw/zinc/56/11/42/757561142.db2.gz GVIJFUKCOXPFBZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938578 757561147 /nfs/dbraw/zinc/56/11/47/757561147.db2.gz GVIJFUKCOXPFBZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083938578 757561154 /nfs/dbraw/zinc/56/11/54/757561154.db2.gz GVIJFUKCOXPFBZ-ZACQAIPSSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607695 757928946 /nfs/dbraw/zinc/92/89/46/757928946.db2.gz CZBVMMOKECNBTA-BZUAXINKSA-N 2 2 305.422 0.262 20 30 DCEDLP 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ZINC001094278212 768944500 /nfs/dbraw/zinc/94/45/00/768944500.db2.gz CFOUKRPXBJYTPP-HNNXBMFYSA-N 2 2 318.425 0.421 20 30 DCEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278212 768944507 /nfs/dbraw/zinc/94/45/07/768944507.db2.gz CFOUKRPXBJYTPP-HNNXBMFYSA-N 2 2 318.425 0.421 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2=O)C1 ZINC001094783603 769274235 /nfs/dbraw/zinc/27/42/35/769274235.db2.gz SQNHSWQCJRGQMR-ZIAGYGMSSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2=O)C1 ZINC001094783603 769274242 /nfs/dbraw/zinc/27/42/42/769274242.db2.gz SQNHSWQCJRGQMR-ZIAGYGMSSA-N 2 2 320.437 0.058 20 30 DCEDLP C#CC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001151406598 769332613 /nfs/dbraw/zinc/33/26/13/769332613.db2.gz RMPJYIUZXZNJTR-UHFFFAOYSA-N 2 2 318.421 0.881 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCOC ZINC001235454375 769850508 /nfs/dbraw/zinc/85/05/08/769850508.db2.gz JAMCELQARVCRKZ-CVEARBPZSA-N 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/nfs/dbraw/zinc/77/10/64/772771064.db2.gz IRUVKCQIWHZQOC-OAHLLOKOSA-N 2 2 318.421 0.535 20 30 DCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001192153141 772876099 /nfs/dbraw/zinc/87/60/99/772876099.db2.gz MEKNMVVUPUMZQA-CABCVRRESA-N 2 2 319.409 0.176 20 30 DCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001192153141 772876103 /nfs/dbraw/zinc/87/61/03/772876103.db2.gz MEKNMVVUPUMZQA-CABCVRRESA-N 2 2 319.409 0.176 20 30 DCEDLP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001192153141 772876108 /nfs/dbraw/zinc/87/61/08/772876108.db2.gz MEKNMVVUPUMZQA-CABCVRRESA-N 2 2 319.409 0.176 20 30 DCEDLP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001192153141 772876113 /nfs/dbraw/zinc/87/61/13/772876113.db2.gz MEKNMVVUPUMZQA-CABCVRRESA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195404260 773393144 /nfs/dbraw/zinc/39/31/44/773393144.db2.gz OVRNHNSLLNVWNP-OAHLLOKOSA-N 2 2 311.426 0.054 20 30 DCEDLP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404260 773393151 /nfs/dbraw/zinc/39/31/51/773393151.db2.gz OVRNHNSLLNVWNP-OAHLLOKOSA-N 2 2 311.426 0.054 20 30 DCEDLP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404260 773393156 /nfs/dbraw/zinc/39/31/56/773393156.db2.gz OVRNHNSLLNVWNP-OAHLLOKOSA-N 2 2 311.426 0.054 20 30 DCEDLP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404260 773393162 /nfs/dbraw/zinc/39/31/62/773393162.db2.gz OVRNHNSLLNVWNP-OAHLLOKOSA-N 2 2 311.426 0.054 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848294 773533109 /nfs/dbraw/zinc/53/31/09/773533109.db2.gz CVSXHXIUDINVAT-CQSZACIVSA-N 2 2 319.409 0.156 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001205761949 773551005 /nfs/dbraw/zinc/55/10/05/773551005.db2.gz GQZHLNFZVSKNEL-QGZVFWFLSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001205761949 773551011 /nfs/dbraw/zinc/55/10/11/773551011.db2.gz GQZHLNFZVSKNEL-QGZVFWFLSA-N 2 2 321.465 0.949 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196645317 773622906 /nfs/dbraw/zinc/62/29/06/773622906.db2.gz NZSYBQCHWQVNEF-HUUCEWRRSA-N 2 2 318.421 0.581 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196645317 773622912 /nfs/dbraw/zinc/62/29/12/773622912.db2.gz NZSYBQCHWQVNEF-HUUCEWRRSA-N 2 2 318.421 0.581 20 30 DCEDLP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315445 773697719 /nfs/dbraw/zinc/69/77/19/773697719.db2.gz PUHVHFGZLLNHCV-DGCLKSJQSA-N 2 2 303.834 0.754 20 30 DCEDLP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315445 773697722 /nfs/dbraw/zinc/69/77/22/773697722.db2.gz PUHVHFGZLLNHCV-DGCLKSJQSA-N 2 2 303.834 0.754 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001197150560 773704970 /nfs/dbraw/zinc/70/49/70/773704970.db2.gz 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C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451821 773806054 /nfs/dbraw/zinc/80/60/54/773806054.db2.gz HYOLKFDMBPLHTG-HZSPNIEDSA-N 2 2 319.409 0.010 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451821 773806059 /nfs/dbraw/zinc/80/60/59/773806059.db2.gz HYOLKFDMBPLHTG-HZSPNIEDSA-N 2 2 319.409 0.010 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200727748 774393771 /nfs/dbraw/zinc/39/37/71/774393771.db2.gz CIIFDPRBPNCCDE-BFHYXJOUSA-N 2 2 302.378 0.354 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200727748 774393780 /nfs/dbraw/zinc/39/37/80/774393780.db2.gz CIIFDPRBPNCCDE-BFHYXJOUSA-N 2 2 302.378 0.354 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200843108 774415035 /nfs/dbraw/zinc/41/50/35/774415035.db2.gz XQMVEXSGSZPSTE-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 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DCEDLP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001278426619 945325905 /nfs/dbraw/zinc/32/59/05/945325905.db2.gz IMHBHUHNNPXPOA-RHSMWYFYSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278426619 945325914 /nfs/dbraw/zinc/32/59/14/945325914.db2.gz IMHBHUHNNPXPOA-RHSMWYFYSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001278426619 945325922 /nfs/dbraw/zinc/32/59/22/945325922.db2.gz IMHBHUHNNPXPOA-RHSMWYFYSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001278426620 945326334 /nfs/dbraw/zinc/32/63/34/945326334.db2.gz IMHBHUHNNPXPOA-WMLDXEAASA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278426620 945326343 /nfs/dbraw/zinc/32/63/43/945326343.db2.gz IMHBHUHNNPXPOA-WMLDXEAASA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 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DCEDLP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324802421 947536875 /nfs/dbraw/zinc/53/68/75/947536875.db2.gz DKZJDHMVUDMXEA-MRXNPFEDSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325861740 947956910 /nfs/dbraw/zinc/95/69/10/947956910.db2.gz VBEYCQMWHJIZGE-GDBMZVCRSA-N 2 2 306.410 0.963 20 30 DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001325861740 947956914 /nfs/dbraw/zinc/95/69/14/947956914.db2.gz VBEYCQMWHJIZGE-GDBMZVCRSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)O2 ZINC001273669039 948015166 /nfs/dbraw/zinc/01/51/66/948015166.db2.gz LKCMCTLEWFECFI-LSDHHAIUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1C)O2 ZINC001273669534 948015270 /nfs/dbraw/zinc/01/52/70/948015270.db2.gz VRRHXBGLCHLISF-OAHLLOKOSA-N 2 2 316.405 0.564 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C1([NH+](C)C)CCC1)CO2 ZINC001327397418 948493820 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C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001490456400 950756116 /nfs/dbraw/zinc/75/61/16/950756116.db2.gz CJKLJRSJRCTFDH-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001490456400 950756123 /nfs/dbraw/zinc/75/61/23/950756123.db2.gz CJKLJRSJRCTFDH-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CC[NH+]1CCN(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001490505182 950821656 /nfs/dbraw/zinc/82/16/56/950821656.db2.gz KYGUNLAGSYLGAK-UHFFFAOYSA-N 2 2 308.470 0.331 20 30 DCEDLP C#CC[NH+]1CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001490505182 950821676 /nfs/dbraw/zinc/82/16/76/950821676.db2.gz KYGUNLAGSYLGAK-UHFFFAOYSA-N 2 2 308.470 0.331 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001281143638 951326760 /nfs/dbraw/zinc/32/67/60/951326760.db2.gz WXDVPTQVMZILFO-KRWDZBQOSA-N 2 2 312.373 0.753 20 30 DCEDLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](CCCC#N)C2)OCC1=O ZINC001274040364 951353928 /nfs/dbraw/zinc/35/39/28/951353928.db2.gz MMVXIJAZQDOKAY-INIZCTEOSA-N 2 2 317.393 0.527 20 30 DCEDLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](CCCC#N)C2)OCC1=O ZINC001274040364 951353941 /nfs/dbraw/zinc/35/39/41/951353941.db2.gz MMVXIJAZQDOKAY-INIZCTEOSA-N 2 2 317.393 0.527 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001274566498 951703737 /nfs/dbraw/zinc/70/37/37/951703737.db2.gz STUHDPFSLHTRFH-HNNXBMFYSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001333676609 952130158 /nfs/dbraw/zinc/13/01/58/952130158.db2.gz DYPXWNDXKSPUHE-HZPDHXFCSA-N 2 2 320.437 0.200 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001333676609 952130161 /nfs/dbraw/zinc/13/01/61/952130161.db2.gz DYPXWNDXKSPUHE-HZPDHXFCSA-N 2 2 320.437 0.200 20 30 DCEDLP C=C(C)CC[NH+]1CC(CCO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001276094329 952913129 /nfs/dbraw/zinc/91/31/29/952913129.db2.gz DSNCXBYOGUWTJG-UHFFFAOYSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001282924415 953771995 /nfs/dbraw/zinc/77/19/95/953771995.db2.gz JMFJZTJOVOWCGU-ZFWWWQNUSA-N 2 2 322.409 0.360 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001283091866 953997820 /nfs/dbraw/zinc/99/78/20/953997820.db2.gz JZYXAANMMWTUFL-AVGNSLFASA-N 2 2 319.409 0.127 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001283689899 954536705 /nfs/dbraw/zinc/53/67/05/954536705.db2.gz FKNZPILQIAIQQM-CHWSQXEVSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCOCC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492311608 959820398 /nfs/dbraw/zinc/82/03/98/959820398.db2.gz MYZLXCUNLSZAFQ-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492311608 959820402 /nfs/dbraw/zinc/82/04/02/959820402.db2.gz MYZLXCUNLSZAFQ-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317472161 960156456 /nfs/dbraw/zinc/15/64/56/960156456.db2.gz WAJOMBJTRXBLMC-HUUCEWRRSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317472161 960156463 /nfs/dbraw/zinc/15/64/63/960156463.db2.gz WAJOMBJTRXBLMC-HUUCEWRRSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001317472161 960156471 /nfs/dbraw/zinc/15/64/71/960156471.db2.gz WAJOMBJTRXBLMC-HUUCEWRRSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001317472161 960156477 /nfs/dbraw/zinc/15/64/77/960156477.db2.gz WAJOMBJTRXBLMC-HUUCEWRRSA-N 2 2 324.469 0.600 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001507093351 1015980043 /nfs/dbraw/zinc/98/00/43/1015980043.db2.gz VIJKFXPVPYPSKC-ZDUSSCGKSA-N 2 2 322.409 0.436 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001507263507 1016197050 /nfs/dbraw/zinc/19/70/50/1016197050.db2.gz YJWVMGCPDXRARI-LLVKDONJSA-N 2 2 300.790 0.172 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001507487197 1016399657 /nfs/dbraw/zinc/39/96/57/1016399657.db2.gz HYFPTLLYTDMZRL-AWEZNQCLSA-N 2 2 305.378 0.065 20 30 DCEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403077033 1001663267 /nfs/dbraw/zinc/66/32/67/1001663267.db2.gz GXNXUOLPHPUNJP-SNVBAGLBSA-N 2 2 315.215 0.966 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001440004978 1007405474 /nfs/dbraw/zinc/40/54/74/1007405474.db2.gz WVMZURGQDBVFGD-ZFWWWQNUSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001440004978 1007405482 /nfs/dbraw/zinc/40/54/82/1007405482.db2.gz WVMZURGQDBVFGD-ZFWWWQNUSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001440004978 1007405491 /nfs/dbraw/zinc/40/54/91/1007405491.db2.gz WVMZURGQDBVFGD-ZFWWWQNUSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001440004978 1007405498 /nfs/dbraw/zinc/40/54/98/1007405498.db2.gz WVMZURGQDBVFGD-ZFWWWQNUSA-N 2 2 315.845 0.776 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[NH+]2CCCC2)CC1 ZINC001539430958 1012437157 /nfs/dbraw/zinc/43/71/57/1012437157.db2.gz PQBOVWHKCICVKG-UHFFFAOYSA-N 2 2 302.426 0.438 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnns1 ZINC001496075589 1017415720 /nfs/dbraw/zinc/41/57/20/1017415720.db2.gz AKSRNJLGEZARBE-OCCSQVGLSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnns1 ZINC001496075589 1017415726 /nfs/dbraw/zinc/41/57/26/1017415726.db2.gz AKSRNJLGEZARBE-OCCSQVGLSA-N 2 2 321.450 0.572 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737494 1017490070 /nfs/dbraw/zinc/49/00/70/1017490070.db2.gz XZTGGTGBVSSIGD-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737494 1017490077 /nfs/dbraw/zinc/49/00/77/1017490077.db2.gz XZTGGTGBVSSIGD-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506737494 1017490081 /nfs/dbraw/zinc/49/00/81/1017490081.db2.gz XZTGGTGBVSSIGD-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506737494 1017490086 /nfs/dbraw/zinc/49/00/86/1017490086.db2.gz XZTGGTGBVSSIGD-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480369242 1018468903 /nfs/dbraw/zinc/46/89/03/1018468903.db2.gz JCBFWVWKVNWOCK-AWEZNQCLSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CC[NH2+]C1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001501285696 1019009197 /nfs/dbraw/zinc/00/91/97/1019009197.db2.gz GYWTXJYZEGXBAR-UHFFFAOYSA-N 2 2 305.426 0.319 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001498391962 1019049808 /nfs/dbraw/zinc/04/98/08/1019049808.db2.gz ABYHFNQCXPOXHX-LSDHHAIUSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001498391962 1019049823 /nfs/dbraw/zinc/04/98/23/1019049823.db2.gz ABYHFNQCXPOXHX-LSDHHAIUSA-N 2 2 306.410 0.921 20 30 DCEDLP Cc1[nH+]ccn1-c1ncccc1CNC(=[NH2+])N1CCOCC1 ZINC000261997238 238169662 /nfs/dbraw/zinc/16/96/62/238169662.db2.gz OBHLQCSSQBOKNX-UHFFFAOYSA-N 2 2 300.366 0.723 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)CC1 ZINC000491072537 241108787 /nfs/dbraw/zinc/10/87/87/241108787.db2.gz SPGCROUOLFITKL-KRWDZBQOSA-N 2 2 321.465 0.541 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000491698457 533144737 /nfs/dbraw/zinc/14/47/37/533144737.db2.gz AQNFDEJIAKLEAU-UHFFFAOYSA-N 2 2 321.465 0.901 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1C#N ZINC000089663045 395713979 /nfs/dbraw/zinc/71/39/79/395713979.db2.gz WBELMONPIMWMHI-CYBMUJFWSA-N 2 2 304.398 0.856 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCCC[N@H+]2C)c1C#N ZINC000089663045 395713981 /nfs/dbraw/zinc/71/39/81/395713981.db2.gz WBELMONPIMWMHI-CYBMUJFWSA-N 2 2 304.398 0.856 20 30 DCEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC1(C#N)CCC1 ZINC000596046753 396711407 /nfs/dbraw/zinc/71/14/07/396711407.db2.gz LZIXXNBBPSIHEG-ZFWWWQNUSA-N 2 2 320.437 0.780 20 30 DCEDLP CN(c1cc(C#N)cnn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596122767 396720555 /nfs/dbraw/zinc/72/05/55/396720555.db2.gz CSTZUCIUQRVQAY-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1cc(C#N)cnn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596122767 396720559 /nfs/dbraw/zinc/72/05/59/396720559.db2.gz CSTZUCIUQRVQAY-OAHLLOKOSA-N 2 2 300.410 0.953 20 30 DCEDLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(C#N)c1 ZINC000591354180 396905304 /nfs/dbraw/zinc/90/53/04/396905304.db2.gz VLRQGNBWVILVIU-IUODEOHRSA-N 2 2 301.394 0.904 20 30 DCEDLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(C#N)c1 ZINC000591354180 396905308 /nfs/dbraw/zinc/90/53/08/396905308.db2.gz VLRQGNBWVILVIU-IUODEOHRSA-N 2 2 301.394 0.904 20 30 DCEDLP C[N@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCC1 ZINC000600817982 396951310 /nfs/dbraw/zinc/95/13/10/396951310.db2.gz WJHREVSNSXIYNC-UHFFFAOYSA-N 2 2 308.426 0.545 20 30 DCEDLP C[N@@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CCC1 ZINC000600817982 396951315 /nfs/dbraw/zinc/95/13/15/396951315.db2.gz WJHREVSNSXIYNC-UHFFFAOYSA-N 2 2 308.426 0.545 20 30 DCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@](O)(CC#N)C2)CC1 ZINC000591994136 397055671 /nfs/dbraw/zinc/05/56/71/397055671.db2.gz BEUKKCJHGLFBPR-INIZCTEOSA-N 2 2 323.441 0.072 20 30 DCEDLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(OCC#N)cc2)[C@@H](C[NH3+])C1 ZINC000493147909 397525581 /nfs/dbraw/zinc/52/55/81/397525581.db2.gz FKFDVFRPSZORQG-QZDDGCDVSA-N 2 2 314.389 0.703 20 30 DCEDLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(OCC#N)cc2)[C@@H](C[NH3+])C1 ZINC000493147909 397525585 /nfs/dbraw/zinc/52/55/85/397525585.db2.gz FKFDVFRPSZORQG-QZDDGCDVSA-N 2 2 314.389 0.703 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027744 415835080 /nfs/dbraw/zinc/83/50/80/415835080.db2.gz DHAIMJRFLBBCBL-GJZGRUSLSA-N 2 2 308.470 0.777 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027744 415835084 /nfs/dbraw/zinc/83/50/84/415835084.db2.gz DHAIMJRFLBBCBL-GJZGRUSLSA-N 2 2 308.470 0.777 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343961561 415799518 /nfs/dbraw/zinc/79/95/18/415799518.db2.gz CKTCMPXHIMLZCB-HRCADAONSA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343961561 415799525 /nfs/dbraw/zinc/79/95/25/415799525.db2.gz CKTCMPXHIMLZCB-HRCADAONSA-N 2 2 308.470 0.635 20 30 DCEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000295108682 415882402 /nfs/dbraw/zinc/88/24/02/415882402.db2.gz XAFIMQWJQYIPBL-ZDUSSCGKSA-N 2 2 309.435 0.940 20 30 DCEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000295108682 415882406 /nfs/dbraw/zinc/88/24/06/415882406.db2.gz XAFIMQWJQYIPBL-ZDUSSCGKSA-N 2 2 309.435 0.940 20 30 DCEDLP NC(=[NH+]OCCCO)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000127400212 415889088 /nfs/dbraw/zinc/88/90/88/415889088.db2.gz GZSDYFVGGNKRGJ-UHFFFAOYSA-N 2 2 307.394 0.663 20 30 DCEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCn2cc[nH+]c2C1 ZINC000329854012 416191794 /nfs/dbraw/zinc/19/17/94/416191794.db2.gz SJWHDCPIJRFRKF-CYBMUJFWSA-N 2 2 306.414 0.249 20 30 DCEDLP O=C(C[N@@H+]1CCN2C(=O)NC[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330275678 416199915 /nfs/dbraw/zinc/19/99/15/416199915.db2.gz LVOTZBXAEJNCDS-AWEZNQCLSA-N 2 2 321.425 0.484 20 30 DCEDLP O=C(C[N@H+]1CCN2C(=O)NC[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000330275678 416199917 /nfs/dbraw/zinc/19/99/17/416199917.db2.gz LVOTZBXAEJNCDS-AWEZNQCLSA-N 2 2 321.425 0.484 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000491041234 416583145 /nfs/dbraw/zinc/58/31/45/416583145.db2.gz YGFIMBUADIYEMG-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000424152253 416618700 /nfs/dbraw/zinc/61/87/00/416618700.db2.gz JFDRSIONXJZDMH-HNNXBMFYSA-N 2 2 301.394 0.747 20 30 DCEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](C#N)CCC#N ZINC000576029783 417572914 /nfs/dbraw/zinc/57/29/14/417572914.db2.gz ATCPWIVGSHACOO-LSDHHAIUSA-N 2 2 305.426 0.962 20 30 DCEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](C#N)CCC#N ZINC000576029783 417572918 /nfs/dbraw/zinc/57/29/18/417572918.db2.gz ATCPWIVGSHACOO-LSDHHAIUSA-N 2 2 305.426 0.962 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@]2(CCOC2)C1 ZINC000261949329 277750506 /nfs/dbraw/zinc/75/05/06/277750506.db2.gz GUXIEMMIOGPOBT-HNNXBMFYSA-N 2 2 312.483 0.723 20 30 DCEDLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)C[NH+]1CCN(C)CC1 ZINC000329798660 336083063 /nfs/dbraw/zinc/08/30/63/336083063.db2.gz GQNSYIVVRRHNJW-ZDUSSCGKSA-N 2 2 308.430 0.307 20 30 DCEDLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330181388 336121652 /nfs/dbraw/zinc/12/16/52/336121652.db2.gz GSQLXSWVPDYDFN-ZDUSSCGKSA-N 2 2 307.398 0.488 20 30 DCEDLP C[NH+](C)CCCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000552442028 341394002 /nfs/dbraw/zinc/39/40/02/341394002.db2.gz IOYHBGBWVBVASM-UHFFFAOYSA-N 2 2 310.442 0.793 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@]2(CCOC2)C1 ZINC000262006764 526388895 /nfs/dbraw/zinc/38/88/95/526388895.db2.gz VTNDXUKEWZFNIO-INIZCTEOSA-N 2 2 320.441 0.674 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)C[C@@H]1CCOC1 ZINC000261686358 526389130 /nfs/dbraw/zinc/38/91/30/526389130.db2.gz RGEHNCHXMZEARF-LBPRGKRZSA-N 2 2 308.430 0.530 20 30 DCEDLP C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)N1CC[NH+](C)CC1 ZINC000329716756 546053696 /nfs/dbraw/zinc/05/36/96/546053696.db2.gz WUWHZTKYZRESFN-GFCCVEGCSA-N 2 2 308.430 0.579 20 30 DCEDLP C=CCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642373 547389876 /nfs/dbraw/zinc/38/98/76/547389876.db2.gz ILUOZDRBFSQVSQ-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642373 547389882 /nfs/dbraw/zinc/38/98/82/547389882.db2.gz ILUOZDRBFSQVSQ-AWEZNQCLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678777875 548004059 /nfs/dbraw/zinc/00/40/59/548004059.db2.gz FXYHIZPJCVUSRX-LSDHHAIUSA-N 2 2 324.469 0.639 20 30 DCEDLP C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678777875 548004062 /nfs/dbraw/zinc/00/40/62/548004062.db2.gz FXYHIZPJCVUSRX-LSDHHAIUSA-N 2 2 324.469 0.639 20 30 DCEDLP C=CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682868391 548433537 /nfs/dbraw/zinc/43/35/37/548433537.db2.gz IPKJNHRSYZFUJH-HNNXBMFYSA-N 2 2 324.469 0.999 20 30 DCEDLP C=CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682868391 548433538 /nfs/dbraw/zinc/43/35/38/548433538.db2.gz IPKJNHRSYZFUJH-HNNXBMFYSA-N 2 2 324.469 0.999 20 30 DCEDLP C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785925 548734551 /nfs/dbraw/zinc/73/45/51/548734551.db2.gz LHADWGCVTYNZKT-DOTOQJQBSA-N 2 2 309.454 0.940 20 30 DCEDLP C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785925 548734553 /nfs/dbraw/zinc/73/45/53/548734553.db2.gz LHADWGCVTYNZKT-DOTOQJQBSA-N 2 2 309.454 0.940 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978356031 660526787 /nfs/dbraw/zinc/52/67/87/660526787.db2.gz CIECQMASLWXOAO-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978356031 660526788 /nfs/dbraw/zinc/52/67/88/660526788.db2.gz CIECQMASLWXOAO-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551993 657762596 /nfs/dbraw/zinc/76/25/96/657762596.db2.gz JIAGSEZMXQHDLY-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551993 657762600 /nfs/dbraw/zinc/76/26/00/657762600.db2.gz JIAGSEZMXQHDLY-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551993 657762604 /nfs/dbraw/zinc/76/26/04/657762604.db2.gz JIAGSEZMXQHDLY-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998810153 665534263 /nfs/dbraw/zinc/53/42/63/665534263.db2.gz CWBRSWNFWFYFFS-OLZOCXBDSA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998810153 665534266 /nfs/dbraw/zinc/53/42/66/665534266.db2.gz CWBRSWNFWFYFFS-OLZOCXBDSA-N 2 2 301.818 0.650 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011759 658158652 /nfs/dbraw/zinc/15/86/52/658158652.db2.gz KLGXVHGNJOOSPF-IAGOWNOFSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000972011759 658158657 /nfs/dbraw/zinc/15/86/57/658158657.db2.gz KLGXVHGNJOOSPF-IAGOWNOFSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000972011759 658158662 /nfs/dbraw/zinc/15/86/62/658158662.db2.gz KLGXVHGNJOOSPF-IAGOWNOFSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000972011759 658158669 /nfs/dbraw/zinc/15/86/69/658158669.db2.gz KLGXVHGNJOOSPF-IAGOWNOFSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674413 658226380 /nfs/dbraw/zinc/22/63/80/658226380.db2.gz PFSHSDIUYAUPIL-KRWDZBQOSA-N 2 2 305.422 0.409 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674413 658226385 /nfs/dbraw/zinc/22/63/85/658226385.db2.gz PFSHSDIUYAUPIL-KRWDZBQOSA-N 2 2 305.422 0.409 20 30 DCEDLP C#C[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000934509346 658467125 /nfs/dbraw/zinc/46/71/25/658467125.db2.gz BIJOODCMBNTTBQ-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@H]1CCCC[NH+]1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000934509346 658467127 /nfs/dbraw/zinc/46/71/27/658467127.db2.gz BIJOODCMBNTTBQ-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000934509346 658467132 /nfs/dbraw/zinc/46/71/32/658467132.db2.gz BIJOODCMBNTTBQ-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#C[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000934509346 658467137 /nfs/dbraw/zinc/46/71/37/658467137.db2.gz BIJOODCMBNTTBQ-DLBZAZTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]12 ZINC001026319076 659165266 /nfs/dbraw/zinc/16/52/66/659165266.db2.gz NWHWPVYJSOHEMW-QLFBSQMISA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C1 ZINC000999793491 665684354 /nfs/dbraw/zinc/68/43/54/665684354.db2.gz QNSZCSASTJLGTF-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C1 ZINC000999793491 665684355 /nfs/dbraw/zinc/68/43/55/665684355.db2.gz QNSZCSASTJLGTF-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000999798893 665685005 /nfs/dbraw/zinc/68/50/05/665685005.db2.gz KJMKYGMTJJVPNZ-SJORKVTESA-N 2 2 319.449 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/nfs/dbraw/zinc/96/92/16/665969216.db2.gz CNDMSLWFRKJQJD-CVEARBPZSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030464319 664554641 /nfs/dbraw/zinc/55/46/41/664554641.db2.gz ONQIYSHHOCNGIY-ZBFHGGJFSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030464319 664554643 /nfs/dbraw/zinc/55/46/43/664554643.db2.gz ONQIYSHHOCNGIY-ZBFHGGJFSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[C@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000915492593 664925910 /nfs/dbraw/zinc/92/59/10/664925910.db2.gz IZNGCFWJJWSURH-OAHLLOKOSA-N 2 2 322.453 0.228 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001277888 666027998 /nfs/dbraw/zinc/02/79/98/666027998.db2.gz HYRCPKUFBJZUET-CQSZACIVSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277888 666028000 /nfs/dbraw/zinc/02/80/00/666028000.db2.gz HYRCPKUFBJZUET-CQSZACIVSA-N 2 2 315.845 0.898 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941615313 666030147 /nfs/dbraw/zinc/03/01/47/666030147.db2.gz WUDIHRLKYRSZFM-UHFFFAOYSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932816 666872463 /nfs/dbraw/zinc/87/24/63/666872463.db2.gz SUHWCYSNEIQYRB-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932816 666872466 /nfs/dbraw/zinc/87/24/66/666872466.db2.gz SUHWCYSNEIQYRB-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932816 666872468 /nfs/dbraw/zinc/87/24/68/666872468.db2.gz SUHWCYSNEIQYRB-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H](C)COC ZINC001032453708 667274893 /nfs/dbraw/zinc/27/48/93/667274893.db2.gz KQPQUPOLLZMVIQ-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)COC ZINC001032453708 667274895 /nfs/dbraw/zinc/27/48/95/667274895.db2.gz KQPQUPOLLZMVIQ-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)COC ZINC001032453708 667274896 /nfs/dbraw/zinc/27/48/96/667274896.db2.gz KQPQUPOLLZMVIQ-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H](C)COC ZINC001032453708 667274898 /nfs/dbraw/zinc/27/48/98/667274898.db2.gz KQPQUPOLLZMVIQ-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001035389881 667318813 /nfs/dbraw/zinc/31/88/13/667318813.db2.gz RWGOJEHWXKWJNQ-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035389881 667318816 /nfs/dbraw/zinc/31/88/16/667318816.db2.gz RWGOJEHWXKWJNQ-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389881 667318819 /nfs/dbraw/zinc/31/88/19/667318819.db2.gz RWGOJEHWXKWJNQ-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389881 667318823 /nfs/dbraw/zinc/31/88/23/667318823.db2.gz RWGOJEHWXKWJNQ-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC2CC2)CCO1 ZINC001035401282 667325214 /nfs/dbraw/zinc/32/52/14/667325214.db2.gz YCTBUFAEVFCEEQ-HOTGVXAUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC001035401282 667325217 /nfs/dbraw/zinc/32/52/17/667325217.db2.gz YCTBUFAEVFCEEQ-HOTGVXAUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC2CC2)CCO1 ZINC001035401282 667325220 /nfs/dbraw/zinc/32/52/20/667325220.db2.gz YCTBUFAEVFCEEQ-HOTGVXAUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC2CC2)CCO1 ZINC001035401282 667325223 /nfs/dbraw/zinc/32/52/23/667325223.db2.gz YCTBUFAEVFCEEQ-HOTGVXAUSA-N 2 2 305.422 0.311 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001035424867 667330053 /nfs/dbraw/zinc/33/00/53/667330053.db2.gz SITUASDJIFEYJI-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001035610217 667391985 /nfs/dbraw/zinc/39/19/85/667391985.db2.gz UWQIHQUZZGHNDI-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035610217 667391986 /nfs/dbraw/zinc/39/19/86/667391986.db2.gz UWQIHQUZZGHNDI-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035610217 667391988 /nfs/dbraw/zinc/39/19/88/667391988.db2.gz UWQIHQUZZGHNDI-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035610217 667391990 /nfs/dbraw/zinc/39/19/90/667391990.db2.gz UWQIHQUZZGHNDI-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000884181145 667492194 /nfs/dbraw/zinc/49/21/94/667492194.db2.gz WWOKFONMVDWCDZ-AWEZNQCLSA-N 2 2 311.426 0.671 20 30 DCEDLP C[C@H]([C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCOCC1 ZINC000884212324 667500793 /nfs/dbraw/zinc/50/07/93/667500793.db2.gz BTNWTFBKWBOLHF-AQPXSAIXSA-N 2 2 320.437 0.351 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000884225933 667503990 /nfs/dbraw/zinc/50/39/90/667503990.db2.gz HAFCFUGMQVYSLV-MELADBBJSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000884225933 667503993 /nfs/dbraw/zinc/50/39/93/667503993.db2.gz HAFCFUGMQVYSLV-MELADBBJSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000884225931 667504036 /nfs/dbraw/zinc/50/40/36/667504036.db2.gz HAFCFUGMQVYSLV-HZSPNIEDSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000884225931 667504040 /nfs/dbraw/zinc/50/40/40/667504040.db2.gz HAFCFUGMQVYSLV-HZSPNIEDSA-N 2 2 311.426 0.622 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000884229151 667504660 /nfs/dbraw/zinc/50/46/60/667504660.db2.gz JOJKDKVXTTWYOU-KBPBESRZSA-N 2 2 311.426 0.623 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000884229151 667504662 /nfs/dbraw/zinc/50/46/62/667504662.db2.gz JOJKDKVXTTWYOU-KBPBESRZSA-N 2 2 311.426 0.623 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000884344388 667529047 /nfs/dbraw/zinc/52/90/47/667529047.db2.gz FDNNTZZYKMCILH-ZFWWWQNUSA-N 2 2 323.437 0.670 20 30 DCEDLP C[C@@H]1C[N@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)CO1 ZINC000884401298 667538255 /nfs/dbraw/zinc/53/82/55/667538255.db2.gz KJPBFJQQOZFEHY-ZHAKLFTISA-N 2 2 320.437 0.351 20 30 DCEDLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)CO1 ZINC000884401298 667538257 /nfs/dbraw/zinc/53/82/57/667538257.db2.gz KJPBFJQQOZFEHY-ZHAKLFTISA-N 2 2 320.437 0.351 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000885509139 667679853 /nfs/dbraw/zinc/67/98/53/667679853.db2.gz PKPQBZCRXRDTBB-OAHLLOKOSA-N 2 2 313.467 0.489 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000885509139 667679855 /nfs/dbraw/zinc/67/98/55/667679855.db2.gz PKPQBZCRXRDTBB-OAHLLOKOSA-N 2 2 313.467 0.489 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778389 670187371 /nfs/dbraw/zinc/18/73/71/670187371.db2.gz RNMVJUZOLVNVPB-HUUCEWRRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001036778389 670187374 /nfs/dbraw/zinc/18/73/74/670187374.db2.gz RNMVJUZOLVNVPB-HUUCEWRRSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024809799 693835569 /nfs/dbraw/zinc/83/55/69/693835569.db2.gz XGIGNQVJQQGZIU-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024809799 693835573 /nfs/dbraw/zinc/83/55/73/693835573.db2.gz XGIGNQVJQQGZIU-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809799 693835578 /nfs/dbraw/zinc/83/55/78/693835578.db2.gz XGIGNQVJQQGZIU-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024809799 693835583 /nfs/dbraw/zinc/83/55/83/693835583.db2.gz XGIGNQVJQQGZIU-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](O)C1 ZINC000958558511 687746017 /nfs/dbraw/zinc/74/60/17/687746017.db2.gz IHZXGALVKWOUFV-NVXWUHKLSA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](O)C1 ZINC000958558511 687746021 /nfs/dbraw/zinc/74/60/21/687746021.db2.gz IHZXGALVKWOUFV-NVXWUHKLSA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962281147 688871422 /nfs/dbraw/zinc/87/14/22/688871422.db2.gz SMUXEKXZZWUFOX-FOLVSLTJSA-N 2 2 307.357 0.561 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962281147 688871426 /nfs/dbraw/zinc/87/14/26/688871426.db2.gz SMUXEKXZZWUFOX-FOLVSLTJSA-N 2 2 307.357 0.561 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136888 694497241 /nfs/dbraw/zinc/49/72/41/694497241.db2.gz JXWHJMCCUCOONB-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136888 694497244 /nfs/dbraw/zinc/49/72/44/694497244.db2.gz JXWHJMCCUCOONB-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136888 694497249 /nfs/dbraw/zinc/49/72/49/694497249.db2.gz JXWHJMCCUCOONB-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136888 694497251 /nfs/dbraw/zinc/49/72/51/694497251.db2.gz JXWHJMCCUCOONB-SJLPKXTDSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136890 694497416 /nfs/dbraw/zinc/49/74/16/694497416.db2.gz JXWHJMCCUCOONB-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136890 694497418 /nfs/dbraw/zinc/49/74/18/694497418.db2.gz JXWHJMCCUCOONB-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136890 694497420 /nfs/dbraw/zinc/49/74/20/694497420.db2.gz JXWHJMCCUCOONB-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136890 694497422 /nfs/dbraw/zinc/49/74/22/694497422.db2.gz JXWHJMCCUCOONB-WMZOPIPTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001018986314 693308187 /nfs/dbraw/zinc/30/81/87/693308187.db2.gz YEOJRXLRYNTOJG-KBPBESRZSA-N 2 2 317.393 0.166 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001018986314 693308191 /nfs/dbraw/zinc/30/81/91/693308191.db2.gz YEOJRXLRYNTOJG-KBPBESRZSA-N 2 2 317.393 0.166 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001571504669 1162787715 /nfs/dbraw/zinc/78/77/15/1162787715.db2.gz HIVIKWMBDJRKLD-NVXWUHKLSA-N 2 2 316.405 0.646 20 30 DCEDLP COCC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001571504669 1162787719 /nfs/dbraw/zinc/78/77/19/1162787719.db2.gz HIVIKWMBDJRKLD-NVXWUHKLSA-N 2 2 316.405 0.646 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001670692512 1157484374 /nfs/dbraw/zinc/48/43/74/1157484374.db2.gz UERVHSOVANNEPR-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001670692512 1157484375 /nfs/dbraw/zinc/48/43/75/1157484375.db2.gz UERVHSOVANNEPR-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001670695935 1157485465 /nfs/dbraw/zinc/48/54/65/1157485465.db2.gz GLVKUKUQENNDHO-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001670695935 1157485467 /nfs/dbraw/zinc/48/54/67/1157485467.db2.gz GLVKUKUQENNDHO-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[NH+]1CCN(CCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001566642193 1160106541 /nfs/dbraw/zinc/10/65/41/1160106541.db2.gz UECNEDCFJVJGSF-UHFFFAOYSA-N 2 2 317.437 0.339 20 30 DCEDLP C#CCCN1CC[NH+](CCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001566642193 1160106544 /nfs/dbraw/zinc/10/65/44/1160106544.db2.gz UECNEDCFJVJGSF-UHFFFAOYSA-N 2 2 317.437 0.339 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001566752908 1160143932 /nfs/dbraw/zinc/14/39/32/1160143932.db2.gz SIBXHCKZMBABAM-IYBDPMFKSA-N 2 2 319.449 0.796 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001566752908 1160143941 /nfs/dbraw/zinc/14/39/41/1160143941.db2.gz SIBXHCKZMBABAM-IYBDPMFKSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755541 1160144192 /nfs/dbraw/zinc/14/41/92/1160144192.db2.gz KGTDTIUNFYEDIO-SOUVJXGZSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755541 1160144196 /nfs/dbraw/zinc/14/41/96/1160144196.db2.gz KGTDTIUNFYEDIO-SOUVJXGZSA-N 2 2 322.453 0.304 20 30 DCEDLP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295557 1160623595 /nfs/dbraw/zinc/62/35/95/1160623595.db2.gz XXARJTFOLLCNCX-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001568295557 1160623598 /nfs/dbraw/zinc/62/35/98/1160623598.db2.gz XXARJTFOLLCNCX-GOEBONIOSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001568516182 1160666174 /nfs/dbraw/zinc/66/61/74/1160666174.db2.gz UKYXNINAFWCNEH-HOTGVXAUSA-N 2 2 316.405 0.456 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001568516182 1160666177 /nfs/dbraw/zinc/66/61/77/1160666177.db2.gz UKYXNINAFWCNEH-HOTGVXAUSA-N 2 2 316.405 0.456 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001568996164 1160912972 /nfs/dbraw/zinc/91/29/72/1160912972.db2.gz OJGNXSFKITUIRM-TZMCWYRMSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001568996164 1160912979 /nfs/dbraw/zinc/91/29/79/1160912979.db2.gz OJGNXSFKITUIRM-TZMCWYRMSA-N 2 2 319.409 0.224 20 30 DCEDLP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569898084 1161306866 /nfs/dbraw/zinc/30/68/66/1161306866.db2.gz ITRFKDRQJDIWQA-QGZVFWFLSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001569898084 1161306876 /nfs/dbraw/zinc/30/68/76/1161306876.db2.gz ITRFKDRQJDIWQA-QGZVFWFLSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001656231742 1173854526 /nfs/dbraw/zinc/85/45/26/1173854526.db2.gz OXWMPQXTSGBSBY-AVGNSLFASA-N 2 2 319.409 0.127 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001657082755 1173905393 /nfs/dbraw/zinc/90/53/93/1173905393.db2.gz KSCQZPPNDGQSAT-CYBMUJFWSA-N 2 2 318.446 0.845 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001657082755 1173905399 /nfs/dbraw/zinc/90/53/99/1173905399.db2.gz KSCQZPPNDGQSAT-CYBMUJFWSA-N 2 2 318.446 0.845 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001661631637 1174141485 /nfs/dbraw/zinc/14/14/85/1174141485.db2.gz OUNAPYWMVAVORW-OKILXGFUSA-N 2 2 304.394 0.239 20 30 DCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001665549604 1174532357 /nfs/dbraw/zinc/53/23/57/1174532357.db2.gz FGDFRSFBRXMBSD-CABCVRRESA-N 2 2 313.417 0.507 20 30 DCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001665549604 1174532361 /nfs/dbraw/zinc/53/23/61/1174532361.db2.gz FGDFRSFBRXMBSD-CABCVRRESA-N 2 2 313.417 0.507 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001666630380 1174616039 /nfs/dbraw/zinc/61/60/39/1174616039.db2.gz VNLOZCZXUZVZFL-UONOGXRCSA-N 2 2 306.410 0.580 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001666630380 1174616047 /nfs/dbraw/zinc/61/60/47/1174616047.db2.gz VNLOZCZXUZVZFL-UONOGXRCSA-N 2 2 306.410 0.580 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001667346294 1174676657 /nfs/dbraw/zinc/67/66/57/1174676657.db2.gz PITXHDZZCVSPON-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001667820450 1174718101 /nfs/dbraw/zinc/71/81/01/1174718101.db2.gz KPVFRZDOTZIJSA-CQSZACIVSA-N 2 2 302.378 0.899 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001671684708 1175028314 /nfs/dbraw/zinc/02/83/14/1175028314.db2.gz SGNRFVXLWHJAOA-MRXNPFEDSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001671684708 1175028319 /nfs/dbraw/zinc/02/83/19/1175028319.db2.gz SGNRFVXLWHJAOA-MRXNPFEDSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001672487715 1175114476 /nfs/dbraw/zinc/11/44/76/1175114476.db2.gz WVCBEACDSYYFJQ-ZBFHGGJFSA-N 2 2 313.417 0.243 20 30 DCEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001672487715 1175114480 /nfs/dbraw/zinc/11/44/80/1175114480.db2.gz WVCBEACDSYYFJQ-ZBFHGGJFSA-N 2 2 313.417 0.243 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001676766296 1175487645 /nfs/dbraw/zinc/48/76/45/1175487645.db2.gz BXSRWXJUJZQENP-KBPBESRZSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001677079111 1175521546 /nfs/dbraw/zinc/52/15/46/1175521546.db2.gz JDMBPWQPNNYZPB-HNNXBMFYSA-N 2 2 314.389 0.689 20 30 DCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001677160067 1175539314 /nfs/dbraw/zinc/53/93/14/1175539314.db2.gz CEKHHOCBUJQRMZ-CABCVRRESA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001677160067 1175539316 /nfs/dbraw/zinc/53/93/16/1175539316.db2.gz CEKHHOCBUJQRMZ-CABCVRRESA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)CC[NH+]1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001690079885 1177164340 /nfs/dbraw/zinc/16/43/40/1177164340.db2.gz YFGHOXGMBXMLKD-UHFFFAOYSA-N 2 2 319.453 0.663 20 30 DCEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001690159183 1177182514 /nfs/dbraw/zinc/18/25/14/1177182514.db2.gz VOAMZTPKVBVWDV-CABCVRRESA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690391713 1177232302 /nfs/dbraw/zinc/23/23/02/1177232302.db2.gz HWOOUEZSPHUZCB-OAHLLOKOSA-N 2 2 318.421 0.739 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001690391713 1177232306 /nfs/dbraw/zinc/23/23/06/1177232306.db2.gz HWOOUEZSPHUZCB-OAHLLOKOSA-N 2 2 318.421 0.739 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)c1cccc2[nH+]ccn21 ZINC001699286156 1178031348 /nfs/dbraw/zinc/03/13/48/1178031348.db2.gz MWVKCWADRBTNEV-NSCUHMNNSA-N 2 2 312.373 0.860 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624769 1178223981 /nfs/dbraw/zinc/22/39/81/1178223981.db2.gz WBZFAGFVPNACMH-HIFRSBDPSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001699624769 1178223986 /nfs/dbraw/zinc/22/39/86/1178223986.db2.gz WBZFAGFVPNACMH-HIFRSBDPSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001699624769 1178223990 /nfs/dbraw/zinc/22/39/90/1178223990.db2.gz WBZFAGFVPNACMH-HIFRSBDPSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001699624769 1178223997 /nfs/dbraw/zinc/22/39/97/1178223997.db2.gz WBZFAGFVPNACMH-HIFRSBDPSA-N 2 2 322.453 0.352 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001699654556 1178240770 /nfs/dbraw/zinc/24/07/70/1178240770.db2.gz ANTFGOOFGPVZGK-UHFFFAOYSA-N 2 2 318.421 0.815 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001700168875 1178512735 /nfs/dbraw/zinc/51/27/35/1178512735.db2.gz RFQSTBSPAMBHKD-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001700963684 1178840108 /nfs/dbraw/zinc/84/01/08/1178840108.db2.gz HSHFQLRXIAOISG-CYBMUJFWSA-N 2 2 322.409 0.124 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001700963684 1178840118 /nfs/dbraw/zinc/84/01/18/1178840118.db2.gz HSHFQLRXIAOISG-CYBMUJFWSA-N 2 2 322.409 0.124 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001701037335 1178893721 /nfs/dbraw/zinc/89/37/21/1178893721.db2.gz DXCJLJAGYVGFPM-UHFFFAOYSA-N 2 2 300.362 0.874 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cncn1C ZINC001707383612 1180473438 /nfs/dbraw/zinc/47/34/38/1180473438.db2.gz RUTCZNXAKBEWJY-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cncn1C ZINC001707383612 1180473442 /nfs/dbraw/zinc/47/34/42/1180473442.db2.gz RUTCZNXAKBEWJY-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cncn1C ZINC001707383612 1180473445 /nfs/dbraw/zinc/47/34/45/1180473445.db2.gz RUTCZNXAKBEWJY-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cncn1C ZINC001707383612 1180473448 /nfs/dbraw/zinc/47/34/48/1180473448.db2.gz RUTCZNXAKBEWJY-INIZCTEOSA-N 2 2 317.437 0.456 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001713074375 1180666546 /nfs/dbraw/zinc/66/65/46/1180666546.db2.gz SDFWPTYLPCAFOV-JKSUJKDBSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001713074375 1180666556 /nfs/dbraw/zinc/66/65/56/1180666556.db2.gz SDFWPTYLPCAFOV-JKSUJKDBSA-N 2 2 306.454 0.084 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713359631 1180784941 /nfs/dbraw/zinc/78/49/41/1180784941.db2.gz YTYCNLRDJVKKMC-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001713601142 1180958026 /nfs/dbraw/zinc/95/80/26/1180958026.db2.gz LRMGNGDPQIQGNB-YNEHKIRRSA-N 2 2 319.409 0.252 20 30 DCEDLP C#CCC[NH+]1CCN(CCN(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001713743993 1181040349 /nfs/dbraw/zinc/04/03/49/1181040349.db2.gz ZSAVSDQABKGBQU-UHFFFAOYSA-N 2 2 317.437 0.373 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC001713799331 1181074302 /nfs/dbraw/zinc/07/43/02/1181074302.db2.gz ACDLPZUTGCXLHZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC[C@@H](C)O)C1 ZINC001713799331 1181074308 /nfs/dbraw/zinc/07/43/08/1181074308.db2.gz ACDLPZUTGCXLHZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC[C@@H](C)O)C1 ZINC001713799331 1181074312 /nfs/dbraw/zinc/07/43/12/1181074312.db2.gz ACDLPZUTGCXLHZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC[C@@H](C)O)C1 ZINC001713799331 1181074317 /nfs/dbraw/zinc/07/43/17/1181074317.db2.gz ACDLPZUTGCXLHZ-IKGGRYGDSA-N 2 2 321.465 0.826 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001714295580 1181309912 /nfs/dbraw/zinc/30/99/12/1181309912.db2.gz RYMDJBZUZJLLKO-DGCLKSJQSA-N 2 2 319.409 0.142 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ncccn1 ZINC001714714055 1181497699 /nfs/dbraw/zinc/49/76/99/1181497699.db2.gz CVENMLQAOOHWIG-CABCVRRESA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1ncccn1 ZINC001714714055 1181497702 /nfs/dbraw/zinc/49/77/02/1181497702.db2.gz CVENMLQAOOHWIG-CABCVRRESA-N 2 2 315.421 0.683 20 30 DCEDLP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001714812578 1181558657 /nfs/dbraw/zinc/55/86/57/1181558657.db2.gz CTFTXQBGXXFDHA-HNNXBMFYSA-N 2 2 321.465 0.947 20 30 DCEDLP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC#CCOC ZINC001715077359 1181683340 /nfs/dbraw/zinc/68/33/40/1181683340.db2.gz RVBSWCBSRGPNOU-HUUCEWRRSA-N 2 2 306.410 0.968 20 30 DCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001715225815 1181723355 /nfs/dbraw/zinc/72/33/55/1181723355.db2.gz DARFOQPHZAUTBG-DOMZBBRYSA-N 2 2 303.410 0.765 20 30 DCEDLP C#CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001715225815 1181723362 /nfs/dbraw/zinc/72/33/62/1181723362.db2.gz DARFOQPHZAUTBG-DOMZBBRYSA-N 2 2 303.410 0.765 20 30 DCEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001717253540 1182750517 /nfs/dbraw/zinc/75/05/17/1182750517.db2.gz BTMJLOJNPCDLIL-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001717253540 1182750521 /nfs/dbraw/zinc/75/05/21/1182750521.db2.gz BTMJLOJNPCDLIL-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001723300969 1184282696 /nfs/dbraw/zinc/28/26/96/1184282696.db2.gz MEQIUPXTZNFYMX-OAHLLOKOSA-N 2 2 304.394 0.477 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001723300969 1184282704 /nfs/dbraw/zinc/28/27/04/1184282704.db2.gz MEQIUPXTZNFYMX-OAHLLOKOSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCOCC)CC1 ZINC001724060239 1184374743 /nfs/dbraw/zinc/37/47/43/1184374743.db2.gz SFWCCWKKMXCGND-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001724367435 1184414687 /nfs/dbraw/zinc/41/46/87/1184414687.db2.gz IFFRCVILGVTGNR-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001724367435 1184414691 /nfs/dbraw/zinc/41/46/91/1184414691.db2.gz IFFRCVILGVTGNR-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)O2 ZINC001724869559 1184597476 /nfs/dbraw/zinc/59/74/76/1184597476.db2.gz LANZZNNOFUHKID-AWEZNQCLSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH2+]CC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001724982933 1184644055 /nfs/dbraw/zinc/64/40/55/1184644055.db2.gz ZHGYKGZBKDATFZ-UHFFFAOYSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001725198621 1184720733 /nfs/dbraw/zinc/72/07/33/1184720733.db2.gz ZOZIXPMBIZZHSL-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001725198621 1184720738 /nfs/dbraw/zinc/72/07/38/1184720738.db2.gz ZOZIXPMBIZZHSL-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001725198621 1184720744 /nfs/dbraw/zinc/72/07/44/1184720744.db2.gz ZOZIXPMBIZZHSL-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001725198621 1184720749 /nfs/dbraw/zinc/72/07/49/1184720749.db2.gz ZOZIXPMBIZZHSL-CABCVRRESA-N 2 2 324.469 0.600 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2(CCO)C[NH+](CC(=C)C)C2)CC1 ZINC001725206586 1184724482 /nfs/dbraw/zinc/72/44/82/1184724482.db2.gz AWWHWISLPVQZIF-UHFFFAOYSA-N 2 2 319.449 0.461 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001731688319 1185445037 /nfs/dbraw/zinc/44/50/37/1185445037.db2.gz XVESLJSLIJFHCU-UONOGXRCSA-N 2 2 319.409 0.012 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001734125448 1186555188 /nfs/dbraw/zinc/55/51/88/1186555188.db2.gz IFHAUYPUOCQYQO-HUUCEWRRSA-N 2 2 307.438 0.415 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001734521567 1186674697 /nfs/dbraw/zinc/67/46/97/1186674697.db2.gz KDMWFAKAELKIOS-JKSUJKDBSA-N 2 2 320.437 0.903 20 30 DCEDLP C=C(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734545373 1186687462 /nfs/dbraw/zinc/68/74/62/1186687462.db2.gz QXBUDJDYEXWGDL-OAHLLOKOSA-N 2 2 308.426 0.680 20 30 DCEDLP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734545373 1186687463 /nfs/dbraw/zinc/68/74/63/1186687463.db2.gz QXBUDJDYEXWGDL-OAHLLOKOSA-N 2 2 308.426 0.680 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001752375542 1188419487 /nfs/dbraw/zinc/41/94/87/1188419487.db2.gz QFCWKPXHFKPTBC-DLBZAZTESA-N 2 2 320.481 0.474 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001752509005 1188426774 /nfs/dbraw/zinc/42/67/74/1188426774.db2.gz AYHZCIQOVZLCPY-GDBMZVCRSA-N 2 2 318.421 0.968 20 30 DCEDLP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001754698748 1188908574 /nfs/dbraw/zinc/90/85/74/1188908574.db2.gz RUHPODDEJRBPHN-YOEHRIQHSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001754825439 1188942361 /nfs/dbraw/zinc/94/23/61/1188942361.db2.gz ZXSIFATWPYEIID-KGLIPLIRSA-N 2 2 306.410 0.839 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001755124435 1189030966 /nfs/dbraw/zinc/03/09/66/1189030966.db2.gz BNZYADUKYSWUGX-HOTGVXAUSA-N 2 2 318.421 0.750 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001755379966 1189096246 /nfs/dbraw/zinc/09/62/46/1189096246.db2.gz WQAQNFLRKNKEEN-CYBMUJFWSA-N 2 2 322.453 0.209 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001755790083 1189214571 /nfs/dbraw/zinc/21/45/71/1189214571.db2.gz BFEGIVJZNKOGTA-AWEZNQCLSA-N 2 2 306.410 0.359 20 30 DCEDLP C#CCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001755862979 1189238959 /nfs/dbraw/zinc/23/89/59/1189238959.db2.gz FMIWFDFYEOEVFE-UHFFFAOYSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001042960362 752008111 /nfs/dbraw/zinc/00/81/11/752008111.db2.gz NSZNHTHMESXKOA-WBVHZDCISA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001042960362 752008123 /nfs/dbraw/zinc/00/81/23/752008123.db2.gz NSZNHTHMESXKOA-WBVHZDCISA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167428215 747184518 /nfs/dbraw/zinc/18/45/18/747184518.db2.gz HZOUVDJWHPGTHS-KBPBESRZSA-N 2 2 319.409 0.068 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@H]2C1 ZINC001083279260 747774735 /nfs/dbraw/zinc/77/47/35/747774735.db2.gz RGAFJOBWXHUEKL-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@H]2C1 ZINC001083279260 747774737 /nfs/dbraw/zinc/77/47/37/747774737.db2.gz RGAFJOBWXHUEKL-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083279260 747774740 /nfs/dbraw/zinc/77/47/40/747774740.db2.gz RGAFJOBWXHUEKL-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@H]2C1 ZINC001083279260 747774746 /nfs/dbraw/zinc/77/47/46/747774746.db2.gz RGAFJOBWXHUEKL-XHSDSOJGSA-N 2 2 323.437 0.195 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001083535810 750116415 /nfs/dbraw/zinc/11/64/15/750116415.db2.gz NINSRYBKPKCVNL-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083535810 750116417 /nfs/dbraw/zinc/11/64/17/750116417.db2.gz NINSRYBKPKCVNL-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1O ZINC001083535810 750116423 /nfs/dbraw/zinc/11/64/23/750116423.db2.gz NINSRYBKPKCVNL-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@@H]1O ZINC001083535810 750116427 /nfs/dbraw/zinc/11/64/27/750116427.db2.gz NINSRYBKPKCVNL-PMPSAXMXSA-N 2 2 305.422 0.045 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077218367 750275390 /nfs/dbraw/zinc/27/53/90/750275390.db2.gz XHLLOZDCZHSJCA-ZIAGYGMSSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077218367 750275393 /nfs/dbraw/zinc/27/53/93/750275393.db2.gz XHLLOZDCZHSJCA-ZIAGYGMSSA-N 2 2 304.394 0.111 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731478 751180402 /nfs/dbraw/zinc/18/04/02/751180402.db2.gz ALOPNGSCBWMFPX-CFVMTHIKSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731478 751180404 /nfs/dbraw/zinc/18/04/04/751180404.db2.gz ALOPNGSCBWMFPX-CFVMTHIKSA-N 2 2 304.394 0.101 20 30 DCEDLP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001107838851 752401576 /nfs/dbraw/zinc/40/15/76/752401576.db2.gz GJDKYSXGNZMLST-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001107838851 752401579 /nfs/dbraw/zinc/40/15/79/752401579.db2.gz GJDKYSXGNZMLST-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107838851 752401582 /nfs/dbraw/zinc/40/15/82/752401582.db2.gz GJDKYSXGNZMLST-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001107838851 752401585 /nfs/dbraw/zinc/40/15/85/752401585.db2.gz GJDKYSXGNZMLST-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001045925803 753372340 /nfs/dbraw/zinc/37/23/40/753372340.db2.gz UWROTZNWDQNHCF-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001045925803 753372343 /nfs/dbraw/zinc/37/23/43/753372343.db2.gz UWROTZNWDQNHCF-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001045925803 753372347 /nfs/dbraw/zinc/37/23/47/753372347.db2.gz UWROTZNWDQNHCF-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047551883 754383435 /nfs/dbraw/zinc/38/34/35/754383435.db2.gz WMLLEFGTAAZJFW-JYJNAYRXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001047638447 754453534 /nfs/dbraw/zinc/45/35/34/754453534.db2.gz SNYOSWYQQXULSM-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001047638447 754453536 /nfs/dbraw/zinc/45/35/36/754453536.db2.gz SNYOSWYQQXULSM-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638447 754453539 /nfs/dbraw/zinc/45/35/39/754453539.db2.gz SNYOSWYQQXULSM-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638447 754453543 /nfs/dbraw/zinc/45/35/43/754453543.db2.gz SNYOSWYQQXULSM-PMPSAXMXSA-N 2 2 307.438 0.388 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129043170 754499927 /nfs/dbraw/zinc/49/99/27/754499927.db2.gz KMOBFHZXLAARDX-ILXRZTDVSA-N 2 2 318.425 0.146 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129043170 754499931 /nfs/dbraw/zinc/49/99/31/754499931.db2.gz KMOBFHZXLAARDX-ILXRZTDVSA-N 2 2 318.425 0.146 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097324058 755645910 /nfs/dbraw/zinc/64/59/10/755645910.db2.gz PFNYUKCGJCRWKT-DGXTUMSLSA-N 2 2 305.422 0.450 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097324058 755645913 /nfs/dbraw/zinc/64/59/13/755645913.db2.gz PFNYUKCGJCRWKT-DGXTUMSLSA-N 2 2 305.422 0.450 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097324058 755645917 /nfs/dbraw/zinc/64/59/17/755645917.db2.gz PFNYUKCGJCRWKT-DGXTUMSLSA-N 2 2 305.422 0.450 20 30 DCEDLP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097324058 755645921 /nfs/dbraw/zinc/64/59/21/755645921.db2.gz PFNYUKCGJCRWKT-DGXTUMSLSA-N 2 2 305.422 0.450 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC001053404861 756032310 /nfs/dbraw/zinc/03/23/10/756032310.db2.gz APOUDHOATGLKCJ-UHFFFAOYSA-N 2 2 307.438 0.818 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053802976 756213710 /nfs/dbraw/zinc/21/37/10/756213710.db2.gz HXQNBJIVCOENKK-HOTGVXAUSA-N 2 2 317.433 0.311 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC(C)C)C2)C1 ZINC001053832945 756229669 /nfs/dbraw/zinc/22/96/69/756229669.db2.gz QWFSETZSWOQEAH-HOTGVXAUSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CC(C)C)C2)C1 ZINC001053832945 756229670 /nfs/dbraw/zinc/22/96/70/756229670.db2.gz QWFSETZSWOQEAH-HOTGVXAUSA-N 2 2 319.449 0.700 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053983489 756316108 /nfs/dbraw/zinc/31/61/08/756316108.db2.gz ZKCQIGJSYSYOIX-GJZGRUSLSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053983489 756316114 /nfs/dbraw/zinc/31/61/14/756316114.db2.gz ZKCQIGJSYSYOIX-GJZGRUSLSA-N 2 2 307.438 0.864 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081980922 756892678 /nfs/dbraw/zinc/89/26/78/756892678.db2.gz JIIWGZLWFDWRKR-ZACQAIPSSA-N 2 2 319.449 0.700 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081980922 756892680 /nfs/dbraw/zinc/89/26/80/756892680.db2.gz JIIWGZLWFDWRKR-ZACQAIPSSA-N 2 2 319.449 0.700 20 30 DCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090383026 757276757 /nfs/dbraw/zinc/27/67/57/757276757.db2.gz WLNCTAQPCZJFOM-DZGCQCFKSA-N 2 2 322.409 0.477 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090383026 757276762 /nfs/dbraw/zinc/27/67/62/757276762.db2.gz WLNCTAQPCZJFOM-DZGCQCFKSA-N 2 2 322.409 0.477 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C[C@H]1C ZINC001082947467 757344021 /nfs/dbraw/zinc/34/40/21/757344021.db2.gz VDGIJGAYZYTYNL-FVQBIDKESA-N 2 2 300.406 0.754 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833930 758071610 /nfs/dbraw/zinc/07/16/10/758071610.db2.gz CHHPGXNDACMFLH-ARFHVFGLSA-N 2 2 305.422 0.121 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833930 758071617 /nfs/dbraw/zinc/07/16/17/758071617.db2.gz CHHPGXNDACMFLH-ARFHVFGLSA-N 2 2 305.422 0.121 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081468 759165036 /nfs/dbraw/zinc/16/50/36/759165036.db2.gz BRTIZYUGZPFZFM-SJORKVTESA-N 2 2 320.481 0.733 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081468 759165041 /nfs/dbraw/zinc/16/50/41/759165041.db2.gz BRTIZYUGZPFZFM-SJORKVTESA-N 2 2 320.481 0.733 20 30 DCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001147900457 767880295 /nfs/dbraw/zinc/88/02/95/767880295.db2.gz NOFGDDCFAGZDRF-UHFFFAOYSA-N 2 2 315.352 0.879 20 30 DCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094632 760245226 /nfs/dbraw/zinc/24/52/26/760245226.db2.gz PVPYJGDFLHOBQE-LSDHHAIUSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094632 760245234 /nfs/dbraw/zinc/24/52/34/760245234.db2.gz PVPYJGDFLHOBQE-LSDHHAIUSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094629 760245345 /nfs/dbraw/zinc/24/53/45/760245345.db2.gz PVPYJGDFLHOBQE-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094629 760245353 /nfs/dbraw/zinc/24/53/53/760245353.db2.gz PVPYJGDFLHOBQE-CABCVRRESA-N 2 2 306.410 0.480 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343573 760416906 /nfs/dbraw/zinc/41/69/06/760416906.db2.gz VDOAUEVPWQFDJG-DOTOQJQBSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343573 760416913 /nfs/dbraw/zinc/41/69/13/760416913.db2.gz VDOAUEVPWQFDJG-DOTOQJQBSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343573 760416920 /nfs/dbraw/zinc/41/69/20/760416920.db2.gz VDOAUEVPWQFDJG-DOTOQJQBSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108343573 760416930 /nfs/dbraw/zinc/41/69/30/760416930.db2.gz VDOAUEVPWQFDJG-DOTOQJQBSA-N 2 2 307.438 0.559 20 30 DCEDLP N#Cc1cc(Br)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169076492 760561615 /nfs/dbraw/zinc/56/16/15/760561615.db2.gz UMHOZBCOVNFZDJ-SECBINFHSA-N 2 2 322.166 0.764 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC2=O)C1 ZINC001108552518 760846598 /nfs/dbraw/zinc/84/65/98/760846598.db2.gz NJYYBTWFXPYWFQ-ZDUSSCGKSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC2=O)C1 ZINC001108553673 760850088 /nfs/dbraw/zinc/85/00/88/760850088.db2.gz SMGZDHBICQQZTA-BBRMVZONSA-N 2 2 322.453 0.160 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[NH+](CC)CC)CC2=O)C1 ZINC001108581679 760920069 /nfs/dbraw/zinc/92/00/69/760920069.db2.gz WYKATGLNEFCQCH-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC2=O)C1 ZINC001108585743 760930804 /nfs/dbraw/zinc/93/08/04/760930804.db2.gz VGAYPVGKPKPIOW-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CC[N@H+](C)CC)CC2=O)C1 ZINC001108585743 760930815 /nfs/dbraw/zinc/93/08/15/760930815.db2.gz VGAYPVGKPKPIOW-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2=O)C1 ZINC001108591708 760944235 /nfs/dbraw/zinc/94/42/35/760944235.db2.gz CMQXURNCTJZLAD-AWEZNQCLSA-N 2 2 322.453 0.304 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC2=O)C1 ZINC001108591708 760944244 /nfs/dbraw/zinc/94/42/44/760944244.db2.gz CMQXURNCTJZLAD-AWEZNQCLSA-N 2 2 322.453 0.304 20 30 DCEDLP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001071095662 761618168 /nfs/dbraw/zinc/61/81/68/761618168.db2.gz JDAPDDUGHGMQGL-PBHICJAKSA-N 2 2 316.405 0.571 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071161376 761672640 /nfs/dbraw/zinc/67/26/40/761672640.db2.gz IWTHPXFNCPNBTC-WMLDXEAASA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071161376 761672644 /nfs/dbraw/zinc/67/26/44/761672644.db2.gz IWTHPXFNCPNBTC-WMLDXEAASA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241060 761732330 /nfs/dbraw/zinc/73/23/30/761732330.db2.gz OJXHSBYKWSHOJQ-YOEHRIQHSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241060 761732336 /nfs/dbraw/zinc/73/23/36/761732336.db2.gz OJXHSBYKWSHOJQ-YOEHRIQHSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071245593 761734843 /nfs/dbraw/zinc/73/48/43/761734843.db2.gz GHHSXFPNSVLENU-WBVHZDCISA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071245593 761734847 /nfs/dbraw/zinc/73/48/47/761734847.db2.gz GHHSXFPNSVLENU-WBVHZDCISA-N 2 2 316.405 0.598 20 30 DCEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245982 761735477 /nfs/dbraw/zinc/73/54/77/761735477.db2.gz MUFOVZFAQTYSSU-HOCLYGCPSA-N 2 2 304.394 0.761 20 30 DCEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245982 761735482 /nfs/dbraw/zinc/73/54/82/761735482.db2.gz MUFOVZFAQTYSSU-HOCLYGCPSA-N 2 2 304.394 0.761 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001086913210 768090059 /nfs/dbraw/zinc/09/00/59/768090059.db2.gz KECHIIVCHJZTGL-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001086913210 768090064 /nfs/dbraw/zinc/09/00/64/768090064.db2.gz KECHIIVCHJZTGL-JKSUJKDBSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1snnc1C ZINC001129771423 763008718 /nfs/dbraw/zinc/00/87/18/763008718.db2.gz WXQJQKIWIMTTJO-LBPRGKRZSA-N 2 2 307.423 0.150 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1snnc1C ZINC001129771423 763008725 /nfs/dbraw/zinc/00/87/25/763008725.db2.gz WXQJQKIWIMTTJO-LBPRGKRZSA-N 2 2 307.423 0.150 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969553 763174924 /nfs/dbraw/zinc/17/49/24/763174924.db2.gz KDEGDLQKWAYSRU-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099969553 763174919 /nfs/dbraw/zinc/17/49/19/763174919.db2.gz KDEGDLQKWAYSRU-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139078 763346298 /nfs/dbraw/zinc/34/62/98/763346298.db2.gz NZLQBCNLGZQATI-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100139078 763346304 /nfs/dbraw/zinc/34/63/04/763346304.db2.gz NZLQBCNLGZQATI-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131977089 764156479 /nfs/dbraw/zinc/15/64/79/764156479.db2.gz VNESCEZAPKOHKZ-UHFFFAOYSA-N 2 2 312.373 0.842 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376982 764428152 /nfs/dbraw/zinc/42/81/52/764428152.db2.gz SCYVGOBGMCEUIK-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132376982 764428157 /nfs/dbraw/zinc/42/81/57/764428157.db2.gz SCYVGOBGMCEUIK-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490254 764484394 /nfs/dbraw/zinc/48/43/94/764484394.db2.gz SHEMPNAWGDLGRA-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490254 764484401 /nfs/dbraw/zinc/48/44/01/764484401.db2.gz SHEMPNAWGDLGRA-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1nccn12 ZINC001092354280 768270700 /nfs/dbraw/zinc/27/07/00/768270700.db2.gz GKQDHNANPKKXCT-KBPBESRZSA-N 2 2 315.421 0.735 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1nccn12 ZINC001092354280 768270702 /nfs/dbraw/zinc/27/07/02/768270702.db2.gz GKQDHNANPKKXCT-KBPBESRZSA-N 2 2 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939592571 /nfs/dbraw/zinc/59/25/71/939592571.db2.gz IJPIIRJIXQNRMC-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267692760 939628049 /nfs/dbraw/zinc/62/80/49/939628049.db2.gz KPTNSCBRUYCAOH-KBPBESRZSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267692760 939628051 /nfs/dbraw/zinc/62/80/51/939628051.db2.gz KPTNSCBRUYCAOH-KBPBESRZSA-N 2 2 322.453 0.067 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267706351 939632152 /nfs/dbraw/zinc/63/21/52/939632152.db2.gz LHSAMMYBOHWCHH-FXUDXRNXSA-N 2 2 305.422 0.262 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267706351 939632154 /nfs/dbraw/zinc/63/21/54/939632154.db2.gz LHSAMMYBOHWCHH-FXUDXRNXSA-N 2 2 305.422 0.262 20 30 DCEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267706351 939632155 /nfs/dbraw/zinc/63/21/55/939632155.db2.gz LHSAMMYBOHWCHH-FXUDXRNXSA-N 2 2 305.422 0.262 20 30 DCEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267706351 939632157 /nfs/dbraw/zinc/63/21/57/939632157.db2.gz LHSAMMYBOHWCHH-FXUDXRNXSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1oc(C)nc1C ZINC001481241410 939662467 /nfs/dbraw/zinc/66/24/67/939662467.db2.gz XPFJDLHCKONJHK-HNNXBMFYSA-N 2 2 318.421 0.937 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1oc(C)nc1C ZINC001481241410 939662468 /nfs/dbraw/zinc/66/24/68/939662468.db2.gz XPFJDLHCKONJHK-HNNXBMFYSA-N 2 2 318.421 0.937 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001481246409 939667024 /nfs/dbraw/zinc/66/70/24/939667024.db2.gz SJUXRWVYYCHUQG-UHFFFAOYSA-N 2 2 315.377 0.527 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481450581 939798731 /nfs/dbraw/zinc/79/87/31/939798731.db2.gz RCAPYNBMZSBLCA-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481450581 939798734 /nfs/dbraw/zinc/79/87/34/939798734.db2.gz RCAPYNBMZSBLCA-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268085628 939932047 /nfs/dbraw/zinc/93/20/47/939932047.db2.gz HUHRARCGTSIUQV-HUUCEWRRSA-N 2 2 306.410 0.921 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCOCC)C1 ZINC001268192685 939986307 /nfs/dbraw/zinc/98/63/07/939986307.db2.gz BUBHWHPLUVVFNR-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCOCC)C1 ZINC001268192685 939986310 /nfs/dbraw/zinc/98/63/10/939986310.db2.gz BUBHWHPLUVVFNR-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOCC)C1 ZINC001268192685 939986312 /nfs/dbraw/zinc/98/63/12/939986312.db2.gz BUBHWHPLUVVFNR-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCOCC)C1 ZINC001268192685 939986314 /nfs/dbraw/zinc/98/63/14/939986314.db2.gz BUBHWHPLUVVFNR-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268250295 940006196 /nfs/dbraw/zinc/00/61/96/940006196.db2.gz AQAUTCPZVGBGGY-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268250295 940006198 /nfs/dbraw/zinc/00/61/98/940006198.db2.gz AQAUTCPZVGBGGY-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268250295 940006200 /nfs/dbraw/zinc/00/62/00/940006200.db2.gz AQAUTCPZVGBGGY-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268250295 940006203 /nfs/dbraw/zinc/00/62/03/940006203.db2.gz AQAUTCPZVGBGGY-CQSZACIVSA-N 2 2 310.442 0.021 20 30 DCEDLP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268378278 940093289 /nfs/dbraw/zinc/09/32/89/940093289.db2.gz STBCTOQZSLAVEL-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001268690957 940332567 /nfs/dbraw/zinc/33/25/67/940332567.db2.gz WQJYKTGCZMQDGE-OBJOEFQTSA-N 2 2 318.425 0.366 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001268690957 940332568 /nfs/dbraw/zinc/33/25/68/940332568.db2.gz WQJYKTGCZMQDGE-OBJOEFQTSA-N 2 2 318.425 0.366 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482195831 940377240 /nfs/dbraw/zinc/37/72/40/940377240.db2.gz OOAUHHTXBIJQSW-HNNXBMFYSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482195831 940377244 /nfs/dbraw/zinc/37/72/44/940377244.db2.gz OOAUHHTXBIJQSW-HNNXBMFYSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001269355095 940691046 /nfs/dbraw/zinc/69/10/46/940691046.db2.gz DTHHFFZQJYLXAD-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001269355095 940691047 /nfs/dbraw/zinc/69/10/47/940691047.db2.gz DTHHFFZQJYLXAD-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483282789 942235861 /nfs/dbraw/zinc/23/58/61/942235861.db2.gz BNPDFKZTRLLSQO-JTQLQIEISA-N 2 2 315.215 0.966 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484573757 943455379 /nfs/dbraw/zinc/45/53/79/943455379.db2.gz HCZWLQABCXELAY-SHTZXODSSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001485580484 944014259 /nfs/dbraw/zinc/01/42/59/944014259.db2.gz JJMYSCKLNKFVAT-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001485580484 944014263 /nfs/dbraw/zinc/01/42/63/944014263.db2.gz JJMYSCKLNKFVAT-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001276789320 944299993 /nfs/dbraw/zinc/29/99/93/944299993.db2.gz OCCPCUWOZFCDHZ-LSDHHAIUSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001486088825 944547920 /nfs/dbraw/zinc/54/79/20/944547920.db2.gz YBEJFPRFDGPWNT-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486289944 944729683 /nfs/dbraw/zinc/72/96/83/944729683.db2.gz AYTSSDOOVNLFAI-GFCCVEGCSA-N 2 2 300.790 0.435 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001317407625 944957917 /nfs/dbraw/zinc/95/79/17/944957917.db2.gz FGNGMRARYRFFPL-GXTWGEPZSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001277774704 944973155 /nfs/dbraw/zinc/97/31/55/944973155.db2.gz PKMBSSAMOCPEOI-STQMWFEESA-N 2 2 319.409 0.224 20 30 DCEDLP C#CCC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001317457246 944981877 /nfs/dbraw/zinc/98/18/77/944981877.db2.gz PMPFRLICOVXZFJ-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001317457246 944981881 /nfs/dbraw/zinc/98/18/81/944981881.db2.gz PMPFRLICOVXZFJ-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317457246 944981885 /nfs/dbraw/zinc/98/18/85/944981885.db2.gz PMPFRLICOVXZFJ-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317457246 944981891 /nfs/dbraw/zinc/98/18/91/944981891.db2.gz PMPFRLICOVXZFJ-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001318478103 945380087 /nfs/dbraw/zinc/38/00/87/945380087.db2.gz KDRLAUPBZXRIRW-INIZCTEOSA-N 2 2 318.421 0.764 20 30 DCEDLP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318478103 945380094 /nfs/dbraw/zinc/38/00/94/945380094.db2.gz KDRLAUPBZXRIRW-INIZCTEOSA-N 2 2 318.421 0.764 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319485911 945599426 /nfs/dbraw/zinc/59/94/26/945599426.db2.gz JOQPFFSSFDISLP-LSDHHAIUSA-N 2 2 318.421 0.532 20 30 DCEDLP C=CCOC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001252466228 945943651 /nfs/dbraw/zinc/94/36/51/945943651.db2.gz NPSTWRKRMIJSRH-OAHLLOKOSA-N 2 2 306.410 0.779 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCC1CC1 ZINC001323246670 946997197 /nfs/dbraw/zinc/99/71/97/946997197.db2.gz ORPPCGUPUWNVCR-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCC1CC1 ZINC001323246670 946997209 /nfs/dbraw/zinc/99/72/09/946997209.db2.gz ORPPCGUPUWNVCR-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOCC1CC1 ZINC001323246670 946997218 /nfs/dbraw/zinc/99/72/18/946997218.db2.gz ORPPCGUPUWNVCR-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOCC1CC1 ZINC001323246670 946997224 /nfs/dbraw/zinc/99/72/24/946997224.db2.gz ORPPCGUPUWNVCR-SJORKVTESA-N 2 2 319.449 0.701 20 30 DCEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001324440711 947426575 /nfs/dbraw/zinc/42/65/75/947426575.db2.gz FMLSOHQDFGVTNB-HNNXBMFYSA-N 2 2 318.421 0.844 20 30 DCEDLP C=CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200057 947598346 /nfs/dbraw/zinc/59/83/46/947598346.db2.gz IWXTWWBDTAVQHM-UONOGXRCSA-N 2 2 306.410 0.651 20 30 DCEDLP C=CC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001262200057 947598354 /nfs/dbraw/zinc/59/83/54/947598354.db2.gz IWXTWWBDTAVQHM-UONOGXRCSA-N 2 2 306.410 0.651 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001325264640 947732797 /nfs/dbraw/zinc/73/27/97/947732797.db2.gz ORAOXCWVYPEPLJ-OAHLLOKOSA-N 2 2 307.438 0.295 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001325264640 947732801 /nfs/dbraw/zinc/73/28/01/947732801.db2.gz ORAOXCWVYPEPLJ-OAHLLOKOSA-N 2 2 307.438 0.295 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325860719 947956626 /nfs/dbraw/zinc/95/66/26/947956626.db2.gz PSWCZSJAZBEJBX-DOTOQJQBSA-N 2 2 318.421 0.801 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001325860719 947956631 /nfs/dbraw/zinc/95/66/31/947956631.db2.gz PSWCZSJAZBEJBX-DOTOQJQBSA-N 2 2 318.421 0.801 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001327005738 948361634 /nfs/dbraw/zinc/36/16/34/948361634.db2.gz YPHISORCSKSBIT-AWEZNQCLSA-N 2 2 304.394 0.193 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001263821015 948764665 /nfs/dbraw/zinc/76/46/65/948764665.db2.gz KYLSSDAFERMHQX-HZPDHXFCSA-N 2 2 307.438 0.511 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001263821015 948764675 /nfs/dbraw/zinc/76/46/75/948764675.db2.gz KYLSSDAFERMHQX-HZPDHXFCSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265620086 949822098 /nfs/dbraw/zinc/82/20/98/949822098.db2.gz ZKLBDWZXQDCIHI-INIZCTEOSA-N 2 2 318.421 0.751 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001330020729 950062559 /nfs/dbraw/zinc/06/25/59/950062559.db2.gz IWWRCTXAYBQMAE-CJNGLKHVSA-N 2 2 324.469 0.311 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001490305594 950519908 /nfs/dbraw/zinc/51/99/08/950519908.db2.gz JHGBJDVTWROFNL-ZBFHGGJFSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001316604931 951023670 /nfs/dbraw/zinc/02/36/70/951023670.db2.gz MWDJOUYEOQQSGS-JKSUJKDBSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001316604931 951023688 /nfs/dbraw/zinc/02/36/88/951023688.db2.gz MWDJOUYEOQQSGS-JKSUJKDBSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001316604931 951023702 /nfs/dbraw/zinc/02/37/02/951023702.db2.gz MWDJOUYEOQQSGS-JKSUJKDBSA-N 2 2 307.438 0.511 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001331361614 951089830 /nfs/dbraw/zinc/08/98/30/951089830.db2.gz RBKCGTKNNMDYNH-OAHLLOKOSA-N 2 2 304.394 0.360 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001332528607 951681965 /nfs/dbraw/zinc/68/19/65/951681965.db2.gz JBXMSVNQGIAZSC-ZBFHGGJFSA-N 2 2 320.437 0.821 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)CCOC ZINC001332927040 951853165 /nfs/dbraw/zinc/85/31/65/951853165.db2.gz AHLMIHZKBBSRSP-HNNXBMFYSA-N 2 2 318.421 0.452 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)CCOC ZINC001332927040 951853169 /nfs/dbraw/zinc/85/31/69/951853169.db2.gz AHLMIHZKBBSRSP-HNNXBMFYSA-N 2 2 318.421 0.452 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)C1=O ZINC001274871284 951864312 /nfs/dbraw/zinc/86/43/12/951864312.db2.gz YDJSFNFNOAMTPU-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP C=C(C)Cn1nnnc1N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001333673407 952128942 /nfs/dbraw/zinc/12/89/42/952128942.db2.gz HHZMKACNMCIHRS-UHFFFAOYSA-N 2 2 307.446 0.711 20 30 DCEDLP C=C(C)Cn1nnnc1N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001333673407 952128946 /nfs/dbraw/zinc/12/89/46/952128946.db2.gz HHZMKACNMCIHRS-UHFFFAOYSA-N 2 2 307.446 0.711 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001340221400 953154960 /nfs/dbraw/zinc/15/49/60/953154960.db2.gz DDZIWCVPACEDPB-GOEBONIOSA-N 3 2 308.470 0.955 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340221400 953154961 /nfs/dbraw/zinc/15/49/61/953154961.db2.gz DDZIWCVPACEDPB-GOEBONIOSA-N 3 2 308.470 0.955 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001341627867 953241362 /nfs/dbraw/zinc/24/13/62/953241362.db2.gz UCDLSWQRUUMVKN-CQSZACIVSA-N 2 2 320.462 0.376 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC001342375595 953286525 /nfs/dbraw/zinc/28/65/25/953286525.db2.gz WRKVFPALFZEADV-INIZCTEOSA-N 2 2 317.437 0.847 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001282813623 953684224 /nfs/dbraw/zinc/68/42/24/953684224.db2.gz YRFQDILFTFMZLT-OAHLLOKOSA-N 2 2 318.421 0.668 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC001282813623 953684229 /nfs/dbraw/zinc/68/42/29/953684229.db2.gz YRFQDILFTFMZLT-OAHLLOKOSA-N 2 2 318.421 0.668 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283110217 954020149 /nfs/dbraw/zinc/02/01/49/954020149.db2.gz AAOZFHQAEAMVSB-MGPQQGTHSA-N 2 2 319.409 0.058 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001284502823 955136645 /nfs/dbraw/zinc/13/66/45/955136645.db2.gz USHTWAGZUPQJJG-HZPDHXFCSA-N 2 2 320.437 0.855 20 30 DCEDLP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001284502823 955136651 /nfs/dbraw/zinc/13/66/51/955136651.db2.gz USHTWAGZUPQJJG-HZPDHXFCSA-N 2 2 320.437 0.855 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001492256947 959764052 /nfs/dbraw/zinc/76/40/52/959764052.db2.gz ITGRRINEYADTFP-UHFFFAOYSA-N 2 2 313.833 0.859 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001492256947 959764067 /nfs/dbraw/zinc/76/40/67/959764067.db2.gz ITGRRINEYADTFP-UHFFFAOYSA-N 2 2 313.833 0.859 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1OCC ZINC001316694154 960114112 /nfs/dbraw/zinc/11/41/12/960114112.db2.gz NXABSGABRKDTIL-GDBMZVCRSA-N 2 2 318.421 0.439 20 30 DCEDLP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001381049631 963782543 /nfs/dbraw/zinc/78/25/43/963782543.db2.gz LEBMDZUFICNAPE-CQSZACIVSA-N 2 2 312.801 0.648 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001507089297 1015973190 /nfs/dbraw/zinc/97/31/90/1015973190.db2.gz AGIBFENOUKNBNG-OCCSQVGLSA-N 2 2 305.382 0.104 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001507089297 1015973193 /nfs/dbraw/zinc/97/31/93/1015973193.db2.gz AGIBFENOUKNBNG-OCCSQVGLSA-N 2 2 305.382 0.104 20 30 DCEDLP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001502580069 1015980932 /nfs/dbraw/zinc/98/09/32/1015980932.db2.gz DQNZTAIIBAZUKB-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=CCOCC[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001505388459 1016206598 /nfs/dbraw/zinc/20/65/98/1016206598.db2.gz NIBNKZYHBQUXMY-UHFFFAOYSA-N 2 2 322.409 0.098 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001407646683 1004783913 /nfs/dbraw/zinc/78/39/13/1004783913.db2.gz WJZUJDUTJLVBGS-DZGCQCFKSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001407646683 1004783914 /nfs/dbraw/zinc/78/39/14/1004783914.db2.gz WJZUJDUTJLVBGS-DZGCQCFKSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001407646683 1004783915 /nfs/dbraw/zinc/78/39/15/1004783915.db2.gz WJZUJDUTJLVBGS-DZGCQCFKSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001407646683 1004783916 /nfs/dbraw/zinc/78/39/16/1004783916.db2.gz WJZUJDUTJLVBGS-DZGCQCFKSA-N 2 2 315.845 0.634 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001439990562 1007386271 /nfs/dbraw/zinc/38/62/71/1007386271.db2.gz GNBWMXQQEKPLNO-OCCSQVGLSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001439990562 1007386285 /nfs/dbraw/zinc/38/62/85/1007386285.db2.gz GNBWMXQQEKPLNO-OCCSQVGLSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001442669419 1009601323 /nfs/dbraw/zinc/60/13/23/1009601323.db2.gz VBDKOTFANQNKIQ-UHFFFAOYSA-N 3 2 308.470 0.779 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423742085 1011469728 /nfs/dbraw/zinc/46/97/28/1011469728.db2.gz IOBZIPYNERZIIY-GXTWGEPZSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423742085 1011469712 /nfs/dbraw/zinc/46/97/12/1011469712.db2.gz IOBZIPYNERZIIY-GXTWGEPZSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423742085 1011469717 /nfs/dbraw/zinc/46/97/17/1011469717.db2.gz IOBZIPYNERZIIY-GXTWGEPZSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423742085 1011469721 /nfs/dbraw/zinc/46/97/21/1011469721.db2.gz IOBZIPYNERZIIY-GXTWGEPZSA-N 2 2 301.818 0.386 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001506629849 1017421370 /nfs/dbraw/zinc/42/13/70/1017421370.db2.gz CDNZWDFVKIOKRQ-HIFRSBDPSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001506629849 1017421381 /nfs/dbraw/zinc/42/13/81/1017421381.db2.gz CDNZWDFVKIOKRQ-HIFRSBDPSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494791004 1018034273 /nfs/dbraw/zinc/03/42/73/1018034273.db2.gz ZDSUSLFXCOQHIP-GXTWGEPZSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494791004 1018034286 /nfs/dbraw/zinc/03/42/86/1018034286.db2.gz ZDSUSLFXCOQHIP-GXTWGEPZSA-N 2 2 319.409 0.073 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001499884507 1018119400 /nfs/dbraw/zinc/11/94/00/1018119400.db2.gz YONVWGGODUCDMQ-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001499884507 1018119407 /nfs/dbraw/zinc/11/94/07/1018119407.db2.gz YONVWGGODUCDMQ-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001480059612 1018170783 /nfs/dbraw/zinc/17/07/83/1018170783.db2.gz ISXICCNNTAOVKF-OAHLLOKOSA-N 2 2 304.394 0.097 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001480287804 1018402356 /nfs/dbraw/zinc/40/23/56/1018402356.db2.gz WUCYBELTBKRLST-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498028487 1018597906 /nfs/dbraw/zinc/59/79/06/1018597906.db2.gz YRWGOXHVOXQSJR-QWRGUYRKSA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498028487 1018597915 /nfs/dbraw/zinc/59/79/15/1018597915.db2.gz YRWGOXHVOXQSJR-QWRGUYRKSA-N 2 2 320.231 0.320 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)cn1 ZINC001498055536 1018616673 /nfs/dbraw/zinc/61/66/73/1018616673.db2.gz RUTQWSZROQOEBC-GJZGRUSLSA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)cn1 ZINC001498055536 1018616677 /nfs/dbraw/zinc/61/66/77/1018616677.db2.gz RUTQWSZROQOEBC-GJZGRUSLSA-N 2 2 315.421 0.477 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495883871 1018814805 /nfs/dbraw/zinc/81/48/05/1018814805.db2.gz OIYQUOGEUKCOKY-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001495883871 1018814832 /nfs/dbraw/zinc/81/48/32/1018814832.db2.gz OIYQUOGEUKCOKY-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001501364182 1019097957 /nfs/dbraw/zinc/09/79/57/1019097957.db2.gz KLUXNRQSRJTPIS-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001501364182 1019097969 /nfs/dbraw/zinc/09/79/69/1019097969.db2.gz KLUXNRQSRJTPIS-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001502061286 1019670380 /nfs/dbraw/zinc/67/03/80/1019670380.db2.gz WLLDBSRJUGTTTQ-AWEZNQCLSA-N 2 2 304.394 0.377 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139695 1020013250 /nfs/dbraw/zinc/01/32/50/1020013250.db2.gz CGHFCDMGWRBGGY-LSDHHAIUSA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139695 1020013262 /nfs/dbraw/zinc/01/32/62/1020013262.db2.gz CGHFCDMGWRBGGY-LSDHHAIUSA-N 2 2 300.406 0.859 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661019592 1174086012 /nfs/dbraw/zinc/08/60/12/1174086012.db2.gz APAIBVHTCUNQLI-UKRRQHHQSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661019592 1174086015 /nfs/dbraw/zinc/08/60/15/1174086015.db2.gz APAIBVHTCUNQLI-UKRRQHHQSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083721000 396316813 /nfs/dbraw/zinc/31/68/13/396316813.db2.gz ALTDLCJDDQVTIA-UHFFFAOYSA-N 2 2 320.441 0.936 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000081644296 396305617 /nfs/dbraw/zinc/30/56/17/396305617.db2.gz IJEUDZVRCPRBFY-UHFFFAOYSA-N 2 2 315.417 0.904 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000081644296 396305620 /nfs/dbraw/zinc/30/56/20/396305620.db2.gz IJEUDZVRCPRBFY-UHFFFAOYSA-N 2 2 315.417 0.904 20 30 DCEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000610581195 396732633 /nfs/dbraw/zinc/73/26/33/396732633.db2.gz LSZRRCZVODWOMU-UPJWGTAASA-N 2 2 302.403 0.876 20 30 DCEDLP N#CCCN(CC[NH+]1CCOCC1)Cc1c[nH+]c2n1CCC2 ZINC000596983005 396868420 /nfs/dbraw/zinc/86/84/20/396868420.db2.gz BTPSETSZUHWUNF-UHFFFAOYSA-N 2 2 303.410 0.877 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COC[C@H]3O)CC2)cc1 ZINC000601140122 397008569 /nfs/dbraw/zinc/00/85/69/397008569.db2.gz SVIBXXABDDQVSU-DLBZAZTESA-N 2 2 301.390 0.872 20 30 DCEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000602528895 397430938 /nfs/dbraw/zinc/43/09/38/397430938.db2.gz PFVOVAHRZVXBCA-CQSZACIVSA-N 2 2 308.426 0.449 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000309800538 416105856 /nfs/dbraw/zinc/10/58/56/416105856.db2.gz TWWNSPYXSKBEAY-UHFFFAOYSA-N 2 2 304.394 0.849 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000309800538 416105861 /nfs/dbraw/zinc/10/58/61/416105861.db2.gz TWWNSPYXSKBEAY-UHFFFAOYSA-N 2 2 304.394 0.849 20 30 DCEDLP C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000329001258 416143257 /nfs/dbraw/zinc/14/32/57/416143257.db2.gz VWHODDAIMXCNPI-LBPRGKRZSA-N 2 2 301.456 0.837 20 30 DCEDLP CC1=CC[N@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000329623915 416180305 /nfs/dbraw/zinc/18/03/05/416180305.db2.gz SFURPVZHCDMONP-HNNXBMFYSA-N 2 2 310.442 0.863 20 30 DCEDLP CC1=CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000329623915 416180310 /nfs/dbraw/zinc/18/03/10/416180310.db2.gz SFURPVZHCDMONP-HNNXBMFYSA-N 2 2 310.442 0.863 20 30 DCEDLP C=CC[C@H](CO)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000341852236 416242133 /nfs/dbraw/zinc/24/21/33/416242133.db2.gz KGEWAXZNXVRZQD-AWEZNQCLSA-N 2 2 312.458 0.496 20 30 DCEDLP C[NH+]=C(NCc1ccn(C)c1)NCc1c[nH+]c(N(C)C)n1C ZINC000262760064 416337206 /nfs/dbraw/zinc/33/72/06/416337206.db2.gz FUCQRYKZDYBANE-UHFFFAOYSA-N 2 2 303.414 0.690 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000490865311 416576615 /nfs/dbraw/zinc/57/66/15/416576615.db2.gz ANQHBHXDUSWNMI-IRXDYDNUSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000490865311 416576618 /nfs/dbraw/zinc/57/66/18/416576618.db2.gz ANQHBHXDUSWNMI-IRXDYDNUSA-N 2 2 319.449 0.512 20 30 DCEDLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc[nH+]1 ZINC000424168521 416621679 /nfs/dbraw/zinc/62/16/79/416621679.db2.gz GARCWAARMARPNK-CYBMUJFWSA-N 2 2 302.382 0.455 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000491780472 416627568 /nfs/dbraw/zinc/62/75/68/416627568.db2.gz DJWBPIQHXDJHSJ-UHFFFAOYSA-N 2 2 322.453 0.002 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000491780472 416627573 /nfs/dbraw/zinc/62/75/73/416627573.db2.gz DJWBPIQHXDJHSJ-UHFFFAOYSA-N 2 2 322.453 0.002 20 30 DCEDLP CC#CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645294734 417726968 /nfs/dbraw/zinc/72/69/68/417726968.db2.gz JSAUKCTXICZNQD-CABCVRRESA-N 2 2 322.453 0.228 20 30 DCEDLP CC#CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645294734 417726973 /nfs/dbraw/zinc/72/69/73/417726973.db2.gz JSAUKCTXICZNQD-CABCVRRESA-N 2 2 322.453 0.228 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665183329 418183500 /nfs/dbraw/zinc/18/35/00/418183500.db2.gz XUASDXQTGFKRSX-GJZGRUSLSA-N 2 2 312.458 0.760 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665183329 418183501 /nfs/dbraw/zinc/18/35/01/418183501.db2.gz XUASDXQTGFKRSX-GJZGRUSLSA-N 2 2 312.458 0.760 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N(C)C[C@@H]1CCOC1 ZINC000178962238 337166640 /nfs/dbraw/zinc/16/66/40/337166640.db2.gz GFLLJOMXEPLUMW-AWEZNQCLSA-N 2 2 312.458 0.641 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N(C)C[C@@H]1CCOC1 ZINC000178962238 337166641 /nfs/dbraw/zinc/16/66/41/337166641.db2.gz GFLLJOMXEPLUMW-AWEZNQCLSA-N 2 2 312.458 0.641 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000490617209 339835780 /nfs/dbraw/zinc/83/57/80/339835780.db2.gz NXUCAQVDBZTAJS-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000305800758 340389374 /nfs/dbraw/zinc/38/93/74/340389374.db2.gz HPQIXMOOHLALRY-JKSUJKDBSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000305800758 340389375 /nfs/dbraw/zinc/38/93/75/340389375.db2.gz HPQIXMOOHLALRY-JKSUJKDBSA-N 2 2 307.438 0.247 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N1CC[C@]2(CCOC2)C1 ZINC000179199094 526357518 /nfs/dbraw/zinc/35/75/18/526357518.db2.gz PVKGRMVQSMMWQU-KRWDZBQOSA-N 2 2 324.469 0.785 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N1CC[C@]2(CCOC2)C1 ZINC000179199094 526357522 /nfs/dbraw/zinc/35/75/22/526357522.db2.gz PVKGRMVQSMMWQU-KRWDZBQOSA-N 2 2 324.469 0.785 20 30 DCEDLP C=C[C@@H](CO)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000358580706 527430567 /nfs/dbraw/zinc/43/05/67/527430567.db2.gz IPFVOKURYXASHM-ZDUSSCGKSA-N 2 2 310.442 0.391 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000361945101 527610572 /nfs/dbraw/zinc/61/05/72/527610572.db2.gz RWTVKEFSSHHBIE-KRWDZBQOSA-N 2 2 320.481 0.899 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361945101 527610574 /nfs/dbraw/zinc/61/05/74/527610574.db2.gz RWTVKEFSSHHBIE-KRWDZBQOSA-N 2 2 320.481 0.899 20 30 DCEDLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329607192 546052061 /nfs/dbraw/zinc/05/20/61/546052061.db2.gz CIDSWIZFYYQDRZ-ZDUSSCGKSA-N 2 2 307.398 0.488 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978411301 660534913 /nfs/dbraw/zinc/53/49/13/660534913.db2.gz QKLZDHFMJPFSMV-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978411301 660534914 /nfs/dbraw/zinc/53/49/14/660534914.db2.gz QKLZDHFMJPFSMV-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454773 660945813 /nfs/dbraw/zinc/94/58/13/660945813.db2.gz YVXSJLCINMIURG-HOTGVXAUSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)COC)CC1 ZINC000981365661 661140407 /nfs/dbraw/zinc/14/04/07/661140407.db2.gz UDXKAKNNBRAQAH-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)COC)CC1 ZINC000981365661 661140408 /nfs/dbraw/zinc/14/04/08/661140408.db2.gz UDXKAKNNBRAQAH-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H](C)COC)CC1 ZINC000981365661 661140409 /nfs/dbraw/zinc/14/04/09/661140409.db2.gz UDXKAKNNBRAQAH-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H](C)COC)CC1 ZINC000981365661 661140410 /nfs/dbraw/zinc/14/04/10/661140410.db2.gz UDXKAKNNBRAQAH-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000998586223 665485953 /nfs/dbraw/zinc/48/59/53/665485953.db2.gz OUHHFTWRRRWXQU-BPCQOVAHSA-N 2 2 301.818 0.649 20 30 DCEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000998586223 665485955 /nfs/dbraw/zinc/48/59/55/665485955.db2.gz OUHHFTWRRRWXQU-BPCQOVAHSA-N 2 2 301.818 0.649 20 30 DCEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998586224 665486094 /nfs/dbraw/zinc/48/60/94/665486094.db2.gz OUHHFTWRRRWXQU-WXRRBKDZSA-N 2 2 301.818 0.649 20 30 DCEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998586224 665486096 /nfs/dbraw/zinc/48/60/96/665486096.db2.gz OUHHFTWRRRWXQU-WXRRBKDZSA-N 2 2 301.818 0.649 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972534112 657641643 /nfs/dbraw/zinc/64/16/43/657641643.db2.gz JDRBFJMXSOBEQZ-KRWDZBQOSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972534112 657641644 /nfs/dbraw/zinc/64/16/44/657641644.db2.gz JDRBFJMXSOBEQZ-KRWDZBQOSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970654731 657742355 /nfs/dbraw/zinc/74/23/55/657742355.db2.gz MCEVVZFAAPMDRK-CYBMUJFWSA-N 2 2 309.373 0.951 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001022469505 657956224 /nfs/dbraw/zinc/95/62/24/657956224.db2.gz CQDBTAGGEPQBDH-QXSJWSMHSA-N 2 2 323.437 0.289 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972637724 658139155 /nfs/dbraw/zinc/13/91/55/658139155.db2.gz DORVPMIAXGZHTE-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972637724 658139160 /nfs/dbraw/zinc/13/91/60/658139160.db2.gz DORVPMIAXGZHTE-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637724 658139163 /nfs/dbraw/zinc/13/91/63/658139163.db2.gz DORVPMIAXGZHTE-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972637724 658139169 /nfs/dbraw/zinc/13/91/69/658139169.db2.gz DORVPMIAXGZHTE-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640021 658140123 /nfs/dbraw/zinc/14/01/23/658140123.db2.gz DGHSYJXKVHYARJ-QGZVFWFLSA-N 2 2 303.406 0.019 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000972640021 658140127 /nfs/dbraw/zinc/14/01/27/658140127.db2.gz DGHSYJXKVHYARJ-QGZVFWFLSA-N 2 2 303.406 0.019 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972677075 658230801 /nfs/dbraw/zinc/23/08/01/658230801.db2.gz PEPMCBZAWFSMIQ-MRXNPFEDSA-N 2 2 304.394 0.681 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972677075 658230807 /nfs/dbraw/zinc/23/08/07/658230807.db2.gz PEPMCBZAWFSMIQ-MRXNPFEDSA-N 2 2 304.394 0.681 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021712834 658270236 /nfs/dbraw/zinc/27/02/36/658270236.db2.gz KUYPGFAHJHJLAJ-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001021712834 658270241 /nfs/dbraw/zinc/27/02/41/658270241.db2.gz KUYPGFAHJHJLAJ-GDBMZVCRSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999169818 665590727 /nfs/dbraw/zinc/59/07/27/665590727.db2.gz UATKXDWCNVLLOZ-UYSNPLJNSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999169818 665590728 /nfs/dbraw/zinc/59/07/28/665590728.db2.gz UATKXDWCNVLLOZ-UYSNPLJNSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389106 658700280 /nfs/dbraw/zinc/70/02/80/658700280.db2.gz DPXLTAWYZZHDAR-INMHGKMJSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389106 658700288 /nfs/dbraw/zinc/70/02/88/658700288.db2.gz DPXLTAWYZZHDAR-INMHGKMJSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389106 658700294 /nfs/dbraw/zinc/70/02/94/658700294.db2.gz DPXLTAWYZZHDAR-INMHGKMJSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389106 658700298 /nfs/dbraw/zinc/70/02/98/658700298.db2.gz DPXLTAWYZZHDAR-INMHGKMJSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC000972402996 658721837 /nfs/dbraw/zinc/72/18/37/658721837.db2.gz ZBOSFPMBAFCBSF-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000972402996 658721842 /nfs/dbraw/zinc/72/18/42/658721842.db2.gz ZBOSFPMBAFCBSF-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402996 658721849 /nfs/dbraw/zinc/72/18/49/658721849.db2.gz ZBOSFPMBAFCBSF-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000972402996 658721856 /nfs/dbraw/zinc/72/18/56/658721856.db2.gz ZBOSFPMBAFCBSF-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCOC)CC1(C)C ZINC000974687665 659619716 /nfs/dbraw/zinc/61/97/16/659619716.db2.gz WGMJAHSBNBBBJW-GJZGRUSLSA-N 2 2 307.438 0.557 20 30 DCEDLP 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DCEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001001555218 666072809 /nfs/dbraw/zinc/07/28/09/666072809.db2.gz WURQNNKEESUPRQ-HNNXBMFYSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001032828535 666231516 /nfs/dbraw/zinc/23/15/16/666231516.db2.gz GTMWDRFEAVVAOK-RRFJBIMHSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1=O ZINC001032828535 666231518 /nfs/dbraw/zinc/23/15/18/666231518.db2.gz GTMWDRFEAVVAOK-RRFJBIMHSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828535 666231519 /nfs/dbraw/zinc/23/15/19/666231519.db2.gz GTMWDRFEAVVAOK-RRFJBIMHSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)C1=O ZINC001032828535 666231522 /nfs/dbraw/zinc/23/15/22/666231522.db2.gz GTMWDRFEAVVAOK-RRFJBIMHSA-N 2 2 320.437 0.058 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 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REBQCIYIIFMVGS-QGZVFWFLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000997141855 667166657 /nfs/dbraw/zinc/16/66/57/667166657.db2.gz LCCIPKVONYNZTF-UHFFFAOYSA-N 2 2 305.422 0.455 20 30 DCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001032444178 667270129 /nfs/dbraw/zinc/27/01/29/667270129.db2.gz OGARXKHSRMIGDW-ULQDDVLXSA-N 2 2 317.433 0.548 20 30 DCEDLP C#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001032444178 667270133 /nfs/dbraw/zinc/27/01/33/667270133.db2.gz OGARXKHSRMIGDW-ULQDDVLXSA-N 2 2 317.433 0.548 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444178 667270136 /nfs/dbraw/zinc/27/01/36/667270136.db2.gz OGARXKHSRMIGDW-ULQDDVLXSA-N 2 2 317.433 0.548 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444178 667270139 /nfs/dbraw/zinc/27/01/39/667270139.db2.gz OGARXKHSRMIGDW-ULQDDVLXSA-N 2 2 317.433 0.548 20 30 DCEDLP 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314.389 0.933 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958257568 687484764 /nfs/dbraw/zinc/48/47/64/687484764.db2.gz HKUPZMUQEQMEFU-DZGCQCFKSA-N 2 2 314.389 0.933 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCO ZINC001039648570 694398727 /nfs/dbraw/zinc/39/87/27/694398727.db2.gz UQBMGGOAWAHNCV-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCO ZINC001039648570 694398729 /nfs/dbraw/zinc/39/87/29/694398729.db2.gz UQBMGGOAWAHNCV-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCO ZINC001039648570 694398733 /nfs/dbraw/zinc/39/87/33/694398733.db2.gz UQBMGGOAWAHNCV-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCO ZINC001039648570 694398738 /nfs/dbraw/zinc/39/87/38/694398738.db2.gz UQBMGGOAWAHNCV-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP 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C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001752895952 1158713219 /nfs/dbraw/zinc/71/32/19/1158713219.db2.gz YXUIAWRHFMQRIF-HOCLYGCPSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001752895952 1158713223 /nfs/dbraw/zinc/71/32/23/1158713223.db2.gz YXUIAWRHFMQRIF-HOCLYGCPSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001566713600 1160134884 /nfs/dbraw/zinc/13/48/84/1160134884.db2.gz ASQNPAROUNVIAI-HUUCEWRRSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001567023032 1160212361 /nfs/dbraw/zinc/21/23/61/1160212361.db2.gz XLAREZCYSMBBPY-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001567023032 1160212368 /nfs/dbraw/zinc/21/23/68/1160212368.db2.gz XLAREZCYSMBBPY-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCCC[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001567720900 1160463125 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DCEDLP C#CCC[N@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001569456262 1161063284 /nfs/dbraw/zinc/06/32/84/1161063284.db2.gz BICGQTXJZIVIDQ-UHFFFAOYSA-N 2 2 318.421 0.846 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001569753042 1161224694 /nfs/dbraw/zinc/22/46/94/1161224694.db2.gz SEQBOTLWVOABJH-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001569753042 1161224698 /nfs/dbraw/zinc/22/46/98/1161224698.db2.gz SEQBOTLWVOABJH-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001569765810 1161235175 /nfs/dbraw/zinc/23/51/75/1161235175.db2.gz RMLPPKGQXGCUPM-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001569765810 1161235181 /nfs/dbraw/zinc/23/51/81/1161235181.db2.gz RMLPPKGQXGCUPM-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001569894937 1161301681 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307.438 0.701 20 30 DCEDLP C#CC[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001670218203 1174993386 /nfs/dbraw/zinc/99/33/86/1174993386.db2.gz HWWOYJPXUSIBDB-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C[C@@H](CC(=O)NCC[NH+]1CCC(NCC#N)CC1)n1cc[nH+]c1 ZINC001672464149 1175110330 /nfs/dbraw/zinc/11/03/30/1175110330.db2.gz LQELZGMDQDVYJW-AWEZNQCLSA-N 2 2 318.425 0.528 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001675440685 1175356443 /nfs/dbraw/zinc/35/64/43/1175356443.db2.gz DTFOGPCYDJAKOB-KGLIPLIRSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001675440685 1175356448 /nfs/dbraw/zinc/35/64/48/1175356448.db2.gz DTFOGPCYDJAKOB-KGLIPLIRSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001675440685 1175356452 /nfs/dbraw/zinc/35/64/52/1175356452.db2.gz DTFOGPCYDJAKOB-KGLIPLIRSA-N 2 2 322.453 0.209 20 30 DCEDLP 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1177409169 /nfs/dbraw/zinc/40/91/69/1177409169.db2.gz UOIAOQNFGFVDOT-OAHLLOKOSA-N 2 2 318.421 0.271 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OCC ZINC001692047878 1177409629 /nfs/dbraw/zinc/40/96/29/1177409629.db2.gz XQBJPVRBFYLEGB-UKRRQHHQSA-N 2 2 304.394 0.049 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700495386 1178638164 /nfs/dbraw/zinc/63/81/64/1178638164.db2.gz XFFJUQPYGBEXPZ-UHFFFAOYSA-N 2 2 309.454 0.541 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001700495386 1178638166 /nfs/dbraw/zinc/63/81/66/1178638166.db2.gz XFFJUQPYGBEXPZ-UHFFFAOYSA-N 2 2 309.454 0.541 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001700703690 1178713601 /nfs/dbraw/zinc/71/36/01/1178713601.db2.gz BDFWYBCUGPQCCL-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP COCC#CC[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001700714075 1178720359 /nfs/dbraw/zinc/72/03/59/1178720359.db2.gz NYGOTGCYYRHSIP-OAHLLOKOSA-N 2 2 306.410 0.723 20 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ZINC001716970400 1182606938 /nfs/dbraw/zinc/60/69/38/1182606938.db2.gz WQRQFNPDDBUIET-KBPBESRZSA-N 2 2 306.410 0.981 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001717176129 1182711029 /nfs/dbraw/zinc/71/10/29/1182711029.db2.gz TTWDFLWLZOPQRE-HUUCEWRRSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001717588206 1182912676 /nfs/dbraw/zinc/91/26/76/1182912676.db2.gz VSPYBLZJROZOSI-HNNXBMFYSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001717588206 1182912680 /nfs/dbraw/zinc/91/26/80/1182912680.db2.gz VSPYBLZJROZOSI-HNNXBMFYSA-N 2 2 318.421 0.439 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001717613271 1182924756 /nfs/dbraw/zinc/92/47/56/1182924756.db2.gz NLXTWSJSXIGPBD-UKRRQHHQSA-N 2 2 304.394 0.571 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001717613271 1182924760 /nfs/dbraw/zinc/92/47/60/1182924760.db2.gz NLXTWSJSXIGPBD-UKRRQHHQSA-N 2 2 304.394 0.571 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001717920432 1183060691 /nfs/dbraw/zinc/06/06/91/1183060691.db2.gz AJUSHLHRWYOFJZ-HOCLYGCPSA-N 2 2 320.437 0.821 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001723920143 1184362091 /nfs/dbraw/zinc/36/20/91/1184362091.db2.gz DJRNOCUMYDIGLR-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001724547672 1184462865 /nfs/dbraw/zinc/46/28/65/1184462865.db2.gz IASYKABJLKXOLF-HZPDHXFCSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001724672450 1184510897 /nfs/dbraw/zinc/51/08/97/1184510897.db2.gz SQSQGLNCPMOBHX-CQSZACIVSA-N 2 2 306.410 0.432 20 30 DCEDLP C#CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001725756952 1184984972 /nfs/dbraw/zinc/98/49/72/1184984972.db2.gz LYACWSHKFIALLI-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001725756952 1184984975 /nfs/dbraw/zinc/98/49/75/1184984975.db2.gz LYACWSHKFIALLI-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001731268871 1185232621 /nfs/dbraw/zinc/23/26/21/1185232621.db2.gz TUASHENDZTXRMM-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001731268871 1185232626 /nfs/dbraw/zinc/23/26/26/1185232626.db2.gz TUASHENDZTXRMM-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001731659167 1185433828 /nfs/dbraw/zinc/43/38/28/1185433828.db2.gz CJKSWPGFIXMQEQ-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001731659167 1185433832 /nfs/dbraw/zinc/43/38/32/1185433832.db2.gz CJKSWPGFIXMQEQ-CYBMUJFWSA-N 2 2 319.409 0.083 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001732000643 1185631134 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ZINC001733065771 1186125222 /nfs/dbraw/zinc/12/52/22/1186125222.db2.gz JBFWAIGDVWKMEX-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065771 1186125227 /nfs/dbraw/zinc/12/52/27/1186125227.db2.gz JBFWAIGDVWKMEX-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411085 1186263069 /nfs/dbraw/zinc/26/30/69/1186263069.db2.gz FAIQYVAZGLBCLW-YOEHRIQHSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733411085 1186263075 /nfs/dbraw/zinc/26/30/75/1186263075.db2.gz FAIQYVAZGLBCLW-YOEHRIQHSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001733486876 1186295333 /nfs/dbraw/zinc/29/53/33/1186295333.db2.gz BYCCTEHXWHVXLM-INIZCTEOSA-N 2 2 300.362 0.687 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001733486876 1186295337 /nfs/dbraw/zinc/29/53/37/1186295337.db2.gz 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C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052076775 759161243 /nfs/dbraw/zinc/16/12/43/759161243.db2.gz LSBQKWUUKIBNHJ-IAGOWNOFSA-N 2 2 320.481 0.424 20 30 DCEDLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082074 759165386 /nfs/dbraw/zinc/16/53/86/759165386.db2.gz JFRWZLGTHRPJAG-CVEARBPZSA-N 2 2 319.453 0.213 20 30 DCEDLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052082074 759165391 /nfs/dbraw/zinc/16/53/91/759165391.db2.gz JFRWZLGTHRPJAG-CVEARBPZSA-N 2 2 319.453 0.213 20 30 DCEDLP C=CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001100087441 760208620 /nfs/dbraw/zinc/20/86/20/760208620.db2.gz LIEMJQADDABNNL-ZFWWWQNUSA-N 2 2 306.410 0.778 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001100087441 760208624 /nfs/dbraw/zinc/20/86/24/760208624.db2.gz LIEMJQADDABNNL-ZFWWWQNUSA-N 2 2 306.410 0.778 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001099231281 762841020 /nfs/dbraw/zinc/84/10/20/762841020.db2.gz BOKJWZJTYZCZJH-UTUOFQBUSA-N 2 2 321.343 0.482 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(F)(F)F ZINC001099231281 762841023 /nfs/dbraw/zinc/84/10/23/762841023.db2.gz BOKJWZJTYZCZJH-UTUOFQBUSA-N 2 2 321.343 0.482 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C(C)C ZINC001129762067 763001695 /nfs/dbraw/zinc/00/16/95/763001695.db2.gz FWRRZWPVFOSOJE-AWEZNQCLSA-N 2 2 318.425 0.162 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncnn1C(C)C ZINC001129762067 763001701 /nfs/dbraw/zinc/00/17/01/763001701.db2.gz FWRRZWPVFOSOJE-AWEZNQCLSA-N 2 2 318.425 0.162 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129770115 763007399 /nfs/dbraw/zinc/00/73/99/763007399.db2.gz BBZNBHRTZGKQSP-KRWDZBQOSA-N 2 2 310.401 0.862 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129770115 763007400 /nfs/dbraw/zinc/00/74/00/763007400.db2.gz BBZNBHRTZGKQSP-KRWDZBQOSA-N 2 2 310.401 0.862 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099803983 763050293 /nfs/dbraw/zinc/05/02/93/763050293.db2.gz GGCNNMFUALYIKC-ZIAGYGMSSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099803983 763050300 /nfs/dbraw/zinc/05/03/00/763050300.db2.gz GGCNNMFUALYIKC-ZIAGYGMSSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130001218 763078249 /nfs/dbraw/zinc/07/82/49/763078249.db2.gz HREBTYGPANAFSG-CQSZACIVSA-N 2 2 321.425 0.478 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094219 763300009 /nfs/dbraw/zinc/30/00/09/763300009.db2.gz IUDHTGXDQATHKF-HZPDHXFCSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094219 763300011 /nfs/dbraw/zinc/30/00/11/763300011.db2.gz IUDHTGXDQATHKF-HZPDHXFCSA-N 2 2 320.437 0.870 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491185 763350851 /nfs/dbraw/zinc/35/08/51/763350851.db2.gz MTUKPSCSBLJRNE-ZDUSSCGKSA-N 2 2 304.394 0.179 20 30 DCEDLP COCC#CC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491185 763350861 /nfs/dbraw/zinc/35/08/61/763350861.db2.gz MTUKPSCSBLJRNE-ZDUSSCGKSA-N 2 2 304.394 0.179 20 30 DCEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001100461364 763590946 /nfs/dbraw/zinc/59/09/46/763590946.db2.gz VLIPDRASETXDKG-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490256 764484252 /nfs/dbraw/zinc/48/42/52/764484252.db2.gz SHEMPNAWGDLGRA-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132490256 764484259 /nfs/dbraw/zinc/48/42/59/764484259.db2.gz SHEMPNAWGDLGRA-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472099 765062022 /nfs/dbraw/zinc/06/20/22/765062022.db2.gz CABLJYZSDIXGRD-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472099 765062029 /nfs/dbraw/zinc/06/20/29/765062029.db2.gz CABLJYZSDIXGRD-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544897 765562700 /nfs/dbraw/zinc/56/27/00/765562700.db2.gz JXRUBDMKPUYKGE-KGLIPLIRSA-N 2 2 306.410 0.865 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544897 765562708 /nfs/dbraw/zinc/56/27/08/765562708.db2.gz JXRUBDMKPUYKGE-KGLIPLIRSA-N 2 2 306.410 0.865 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747873 768385307 /nfs/dbraw/zinc/38/53/07/768385307.db2.gz JJPBBTUMSUVZNY-QLFBSQMISA-N 2 2 300.406 0.763 20 30 DCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC001092747873 768385315 /nfs/dbraw/zinc/38/53/15/768385315.db2.gz JJPBBTUMSUVZNY-QLFBSQMISA-N 2 2 300.406 0.763 20 30 DCEDLP CC#CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001202947382 768480038 /nfs/dbraw/zinc/48/00/38/768480038.db2.gz OJJWBHNRONVFNZ-UHFFFAOYSA-N 2 2 307.438 0.701 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001094338579 768997845 /nfs/dbraw/zinc/99/78/45/768997845.db2.gz LQVLIUNKIBSJFD-CYBMUJFWSA-N 2 2 318.425 0.279 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001094338579 768997848 /nfs/dbraw/zinc/99/78/48/768997848.db2.gz LQVLIUNKIBSJFD-CYBMUJFWSA-N 2 2 318.425 0.279 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150436115 769097150 /nfs/dbraw/zinc/09/71/50/769097150.db2.gz PCKZKDCTLVBWAF-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150436115 769097156 /nfs/dbraw/zinc/09/71/56/769097156.db2.gz PCKZKDCTLVBWAF-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824188 769197127 /nfs/dbraw/zinc/19/71/27/769197127.db2.gz HZZCHAMTSRKTPM-OAHLLOKOSA-N 2 2 322.409 0.293 20 30 DCEDLP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824188 769197129 /nfs/dbraw/zinc/19/71/29/769197129.db2.gz HZZCHAMTSRKTPM-OAHLLOKOSA-N 2 2 322.409 0.293 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393907 769832591 /nfs/dbraw/zinc/83/25/91/769832591.db2.gz RKPONSDRKVBKHP-OAHLLOKOSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235393907 769832605 /nfs/dbraw/zinc/83/26/05/769832605.db2.gz RKPONSDRKVBKHP-OAHLLOKOSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235393907 769832621 /nfs/dbraw/zinc/83/26/21/769832621.db2.gz RKPONSDRKVBKHP-OAHLLOKOSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235393907 769832634 /nfs/dbraw/zinc/83/26/34/769832634.db2.gz RKPONSDRKVBKHP-OAHLLOKOSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195073 770087627 /nfs/dbraw/zinc/08/76/27/770087627.db2.gz PYBCHUFEZNMUSH-ILXRZTDVSA-N 2 2 304.394 0.807 20 30 DCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195073 770087639 /nfs/dbraw/zinc/08/76/39/770087639.db2.gz PYBCHUFEZNMUSH-ILXRZTDVSA-N 2 2 304.394 0.807 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177117633 770324993 /nfs/dbraw/zinc/32/49/93/770324993.db2.gz ARBPQYPYRFVMCE-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177117633 770325002 /nfs/dbraw/zinc/32/50/02/770325002.db2.gz ARBPQYPYRFVMCE-HOTGVXAUSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414234 770748593 /nfs/dbraw/zinc/74/85/93/770748593.db2.gz HBJQQBVEGMDSCN-SOUVJXGZSA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414234 770748596 /nfs/dbraw/zinc/74/85/96/770748596.db2.gz 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ZINC001207924925 773345982 /nfs/dbraw/zinc/34/59/82/773345982.db2.gz UDSVZWAHAADYIB-CQSZACIVSA-N 2 2 304.394 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826869 773657543 /nfs/dbraw/zinc/65/75/43/773657543.db2.gz LUJXETGWDMVTSG-BPLDGKMQSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826869 773657547 /nfs/dbraw/zinc/65/75/47/773657547.db2.gz LUJXETGWDMVTSG-BPLDGKMQSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196826869 773657551 /nfs/dbraw/zinc/65/75/51/773657551.db2.gz LUJXETGWDMVTSG-BPLDGKMQSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196826869 773657555 /nfs/dbraw/zinc/65/75/55/773657555.db2.gz LUJXETGWDMVTSG-BPLDGKMQSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667476 773727584 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DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cnn(C)c1 ZINC001483350483 942291527 /nfs/dbraw/zinc/29/15/27/942291527.db2.gz NGUZFSWHBUKGNJ-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cnn(C)c1 ZINC001483350483 942291531 /nfs/dbraw/zinc/29/15/31/942291531.db2.gz NGUZFSWHBUKGNJ-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cnn(C)c1 ZINC001483350483 942291533 /nfs/dbraw/zinc/29/15/33/942291533.db2.gz NGUZFSWHBUKGNJ-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cnn(C)c1 ZINC001483350483 942291535 /nfs/dbraw/zinc/29/15/35/942291535.db2.gz NGUZFSWHBUKGNJ-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP CC[N@H+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001484024619 943090445 /nfs/dbraw/zinc/09/04/45/943090445.db2.gz BTTJRCXIIGCGCX-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP CC[N@@H+](C)CCC(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001484024619 943090452 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DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001484442140 943387762 /nfs/dbraw/zinc/38/77/62/943387762.db2.gz QRDGHQCAGMBSBL-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001484442140 943387767 /nfs/dbraw/zinc/38/77/67/943387767.db2.gz QRDGHQCAGMBSBL-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001484682640 943514770 /nfs/dbraw/zinc/51/47/70/943514770.db2.gz RSYXDPJFQNESPR-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001484994583 943649010 /nfs/dbraw/zinc/64/90/10/943649010.db2.gz HLCUUULQQVFNHB-AWEZNQCLSA-N 2 2 319.405 0.767 20 30 DCEDLP C#CC[NH+]1CCC(CO)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001485024523 943660189 /nfs/dbraw/zinc/66/01/89/943660189.db2.gz FOAVANJEJVFONL-UHFFFAOYSA-N 2 2 318.421 0.548 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001491059796 943727370 /nfs/dbraw/zinc/72/73/70/943727370.db2.gz AJJXXYHPRDDJKD-MCIONIFRSA-N 2 2 319.409 0.373 20 30 DCEDLP C=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001272808512 944240585 /nfs/dbraw/zinc/24/05/85/944240585.db2.gz QRTVVRSJKJAPDG-QGZVFWFLSA-N 2 2 316.405 0.731 20 30 DCEDLP C=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001272808512 944240591 /nfs/dbraw/zinc/24/05/91/944240591.db2.gz QRTVVRSJKJAPDG-QGZVFWFLSA-N 2 2 316.405 0.731 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001276789314 944300376 /nfs/dbraw/zinc/30/03/76/944300376.db2.gz OCCPCUWOZFCDHZ-CABCVRRESA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCC[NH+]1CCN(CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001316968503 944695090 /nfs/dbraw/zinc/69/50/90/944695090.db2.gz PHRUMZDZDSDQCC-HNNXBMFYSA-N 2 2 319.453 0.898 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486351897 944809857 /nfs/dbraw/zinc/80/98/57/944809857.db2.gz YRRNTKTZMQTPQB-HIFRSBDPSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486351897 944809861 /nfs/dbraw/zinc/80/98/61/944809861.db2.gz YRRNTKTZMQTPQB-HIFRSBDPSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486351897 944809869 /nfs/dbraw/zinc/80/98/69/944809869.db2.gz YRRNTKTZMQTPQB-HIFRSBDPSA-N 2 2 308.426 0.916 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486351897 944809879 /nfs/dbraw/zinc/80/98/79/944809879.db2.gz YRRNTKTZMQTPQB-HIFRSBDPSA-N 2 2 308.426 0.916 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317383694 944949691 /nfs/dbraw/zinc/94/96/91/944949691.db2.gz GNLDEENQBFKADR-AWEZNQCLSA-N 2 2 319.409 0.108 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317383694 944949699 /nfs/dbraw/zinc/94/96/99/944949699.db2.gz GNLDEENQBFKADR-AWEZNQCLSA-N 2 2 319.409 0.108 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001319195386 945517981 /nfs/dbraw/zinc/51/79/81/945517981.db2.gz HHXSATFDGFZEHH-JSGCOSHPSA-N 2 2 321.450 0.478 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001319195386 945517987 /nfs/dbraw/zinc/51/79/87/945517987.db2.gz HHXSATFDGFZEHH-JSGCOSHPSA-N 2 2 321.450 0.478 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278602597 945678249 /nfs/dbraw/zinc/67/82/49/945678249.db2.gz SPHHMXTUIAEYNX-KBPBESRZSA-N 2 2 304.394 0.477 20 30 DCEDLP C=CCOC[C@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252458325 945936887 /nfs/dbraw/zinc/93/68/87/945936887.db2.gz IAQBNHJQCWPQMM-CQSZACIVSA-N 2 2 306.410 0.809 20 30 DCEDLP C=C[C@](C)(O)C[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001252551002 945960610 /nfs/dbraw/zinc/96/06/10/945960610.db2.gz ROSVTGSMDPJFQR-DLBZAZTESA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@](C)(O)C[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001252551002 945960614 /nfs/dbraw/zinc/96/06/14/945960614.db2.gz ROSVTGSMDPJFQR-DLBZAZTESA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@](C)(O)C[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001252551002 945960619 /nfs/dbraw/zinc/96/06/19/945960619.db2.gz ROSVTGSMDPJFQR-DLBZAZTESA-N 2 2 312.454 0.984 20 30 DCEDLP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001252551002 945960621 /nfs/dbraw/zinc/96/06/21/945960621.db2.gz ROSVTGSMDPJFQR-DLBZAZTESA-N 2 2 312.454 0.984 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321128622 946181225 /nfs/dbraw/zinc/18/12/25/946181225.db2.gz XRGWRFPTPKFIID-MPNWYJEXSA-N 2 2 316.405 0.357 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001273316166 946490775 /nfs/dbraw/zinc/49/07/75/946490775.db2.gz OIWYUNADHKAVTA-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278864672 946497340 /nfs/dbraw/zinc/49/73/40/946497340.db2.gz HDKSSBUFYFZAAP-GOEBONIOSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278864672 946497342 /nfs/dbraw/zinc/49/73/42/946497342.db2.gz HDKSSBUFYFZAAP-GOEBONIOSA-N 2 2 318.421 0.220 20 30 DCEDLP C=CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001325095197 947647979 /nfs/dbraw/zinc/64/79/79/947647979.db2.gz BYQQVLNFPBAAHC-QGZVFWFLSA-N 2 2 318.421 0.501 20 30 DCEDLP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001325095197 947647986 /nfs/dbraw/zinc/64/79/86/947647986.db2.gz BYQQVLNFPBAAHC-QGZVFWFLSA-N 2 2 318.421 0.501 20 30 DCEDLP C#CCC[NH2+]CC1(O)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001328207174 948744481 /nfs/dbraw/zinc/74/44/81/948744481.db2.gz JQKUBZNOLWAFPN-UHFFFAOYSA-N 2 2 304.394 0.227 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001488960258 949353654 /nfs/dbraw/zinc/35/36/54/949353654.db2.gz GXRKPVKLHUYVPY-LSDHHAIUSA-N 2 2 318.421 0.487 20 30 DCEDLP C=C(C)CC[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001329717463 949814401 /nfs/dbraw/zinc/81/44/01/949814401.db2.gz GRYSGRXFSAEQTD-UHFFFAOYSA-N 2 2 306.410 0.711 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001265694414 949881102 /nfs/dbraw/zinc/88/11/02/949881102.db2.gz SJDNOUFDPYJHML-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP COCC#CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001266194983 950454906 /nfs/dbraw/zinc/45/49/06/950454906.db2.gz MKYFUYQRBCRYIV-UHFFFAOYSA-N 2 2 318.421 0.535 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001490500454 950752529 /nfs/dbraw/zinc/75/25/29/950752529.db2.gz FCIXMHIFSAIQEJ-HOTGVXAUSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001490500454 950752549 /nfs/dbraw/zinc/75/25/49/950752549.db2.gz FCIXMHIFSAIQEJ-HOTGVXAUSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001490685023 950996183 /nfs/dbraw/zinc/99/61/83/950996183.db2.gz WSUPZIAUBKYZLY-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001332469744 951656101 /nfs/dbraw/zinc/65/61/01/951656101.db2.gz HIVZWQWUZZDDJI-NEPJUHHUSA-N 2 2 314.311 0.743 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C ZINC001274543099 951688153 /nfs/dbraw/zinc/68/81/53/951688153.db2.gz BJTXXWXILFJRCU-ARJAWSKDSA-N 2 2 304.394 0.265 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274656442 951767813 /nfs/dbraw/zinc/76/78/13/951767813.db2.gz PQKYVSGMWXIWHX-SJLPKXTDSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](O)C[NH+](CC)CC ZINC001274656442 951767819 /nfs/dbraw/zinc/76/78/19/951767819.db2.gz PQKYVSGMWXIWHX-SJLPKXTDSA-N 2 2 321.465 0.779 20 30 DCEDLP COCC#CC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001275639604 952329967 /nfs/dbraw/zinc/32/99/67/952329967.db2.gz XRWMZJBCCBTYEP-UHFFFAOYSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001337114504 952813583 /nfs/dbraw/zinc/81/35/83/952813583.db2.gz WXENOUIDYPCALY-XJKSGUPXSA-N 2 2 309.410 0.425 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001340250248 953157313 /nfs/dbraw/zinc/15/73/13/953157313.db2.gz RRTJTPKLISLBBI-MRXNPFEDSA-N 2 2 314.433 0.536 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001316617825 953514475 /nfs/dbraw/zinc/51/44/75/953514475.db2.gz CJTXUHSXLKGESL-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C[NH+]1CCC(C#N)(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001346184123 953817193 /nfs/dbraw/zinc/81/71/93/953817193.db2.gz WMUPIHHCRVWBCR-UHFFFAOYSA-N 2 2 301.394 0.866 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001284430094 955087864 /nfs/dbraw/zinc/08/78/64/955087864.db2.gz NYXKVCHHGBJITQ-ZBFHGGJFSA-N 2 2 320.437 0.821 20 30 DCEDLP C=C(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cn2cc[nH+]c2)n1 ZINC001316720721 960359226 /nfs/dbraw/zinc/35/92/26/960359226.db2.gz STMVQOCHIJOXMV-UHFFFAOYSA-N 2 2 316.365 0.361 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001375751517 964792246 /nfs/dbraw/zinc/79/22/46/964792246.db2.gz UCBONUQYVOIWQY-OLZOCXBDSA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001375751517 964792252 /nfs/dbraw/zinc/79/22/52/964792252.db2.gz UCBONUQYVOIWQY-OLZOCXBDSA-N 2 2 301.818 0.650 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001507649716 1016509062 /nfs/dbraw/zinc/50/90/62/1016509062.db2.gz TVVKDWOVRVGKSK-OAHLLOKOSA-N 2 2 319.405 0.407 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001507649716 1016509078 /nfs/dbraw/zinc/50/90/78/1016509078.db2.gz TVVKDWOVRVGKSK-OAHLLOKOSA-N 2 2 319.405 0.407 20 30 DCEDLP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]Cc1cc(F)ccc1C#N ZINC001423261397 1011025171 /nfs/dbraw/zinc/02/51/71/1011025171.db2.gz VFTCDSZTTWRVAG-HNNXBMFYSA-N 2 2 322.384 0.216 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001445260026 1011588328 /nfs/dbraw/zinc/58/83/28/1011588328.db2.gz UMPBUVQZRGDKFU-NSHDSACASA-N 2 2 319.390 0.152 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737492 1017488325 /nfs/dbraw/zinc/48/83/25/1017488325.db2.gz XZTGGTGBVSSIGD-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506737492 1017488330 /nfs/dbraw/zinc/48/83/30/1017488330.db2.gz XZTGGTGBVSSIGD-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506737492 1017488338 /nfs/dbraw/zinc/48/83/38/1017488338.db2.gz XZTGGTGBVSSIGD-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506737492 1017488343 /nfs/dbraw/zinc/48/83/43/1017488343.db2.gz XZTGGTGBVSSIGD-CABCVRRESA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001506859433 1017622866 /nfs/dbraw/zinc/62/28/66/1017622866.db2.gz WIHYRLKYKDOGFE-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507005254 1017757052 /nfs/dbraw/zinc/75/70/52/1017757052.db2.gz YYXBOVCGRSYYEO-KGLIPLIRSA-N 2 2 315.845 0.896 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507005254 1017757060 /nfs/dbraw/zinc/75/70/60/1017757060.db2.gz YYXBOVCGRSYYEO-KGLIPLIRSA-N 2 2 315.845 0.896 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001480111935 1018215326 /nfs/dbraw/zinc/21/53/26/1018215326.db2.gz SBDSJIWRSHPMDY-BFHYXJOUSA-N 2 2 302.378 0.354 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001480111935 1018215338 /nfs/dbraw/zinc/21/53/38/1018215338.db2.gz SBDSJIWRSHPMDY-BFHYXJOUSA-N 2 2 302.378 0.354 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC001500574089 1018498951 /nfs/dbraw/zinc/49/89/51/1018498951.db2.gz WIOITFMLWHKXAC-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689189 1018579303 /nfs/dbraw/zinc/57/93/03/1018579303.db2.gz DYPDAQCULIHTNO-DOTOQJQBSA-N 2 2 318.421 0.657 20 30 DCEDLP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001500689189 1018579313 /nfs/dbraw/zinc/57/93/13/1018579313.db2.gz DYPDAQCULIHTNO-DOTOQJQBSA-N 2 2 318.421 0.657 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480654036 1018746327 /nfs/dbraw/zinc/74/63/27/1018746327.db2.gz VCUQTYHPOMWTIV-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP Cc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)c(C#N)c[nH+]1 ZINC000425228824 240322232 /nfs/dbraw/zinc/32/22/32/240322232.db2.gz PXFDHGYUXHUJOY-UHFFFAOYSA-N 2 2 301.394 0.648 20 30 DCEDLP N#Cc1ccc(CNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000573455121 291633170 /nfs/dbraw/zinc/63/31/70/291633170.db2.gz CQENTAJFLLMSGJ-UHFFFAOYSA-N 2 2 324.388 0.720 20 30 DCEDLP C[NH+]1CCN(c2ccc(C#N)c(N3CC[NH+](C)CC3)n2)CC1 ZINC000276394027 395991801 /nfs/dbraw/zinc/99/18/01/395991801.db2.gz FOEWTABLVUFTTB-UHFFFAOYSA-N 2 2 300.410 0.457 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161387647 396076219 /nfs/dbraw/zinc/07/62/19/396076219.db2.gz XDKDSLZFCZTEBO-AWEZNQCLSA-N 2 2 301.394 0.964 20 30 DCEDLP C[NH+](C)CC(=O)N1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595294795 396582184 /nfs/dbraw/zinc/58/21/84/396582184.db2.gz GDNMDBHQEIULFL-UHFFFAOYSA-N 2 2 300.406 0.807 20 30 DCEDLP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000595978008 396701837 /nfs/dbraw/zinc/70/18/37/396701837.db2.gz RPMXPKWSYYDYKU-HZPDHXFCSA-N 3 2 321.469 0.634 20 30 DCEDLP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000595978008 396701842 /nfs/dbraw/zinc/70/18/42/396701842.db2.gz RPMXPKWSYYDYKU-HZPDHXFCSA-N 3 2 321.469 0.634 20 30 DCEDLP Cc1cc(N2CC([NH+](C)C)C2)c(C#N)c(N2CC([NH+](C)C)C2)[nH+]1 ZINC000596177848 396727778 /nfs/dbraw/zinc/72/77/78/396727778.db2.gz FCQINXVLTINCJZ-UHFFFAOYSA-N 3 2 314.437 0.762 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131769464 415929399 /nfs/dbraw/zinc/92/93/99/415929399.db2.gz LJWNXYDZEKSWTI-CYBMUJFWSA-N 2 2 304.350 0.547 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131769464 415929402 /nfs/dbraw/zinc/92/94/02/415929402.db2.gz LJWNXYDZEKSWTI-CYBMUJFWSA-N 2 2 304.350 0.547 20 30 DCEDLP N#CCCN(CC[NH+]1CCOCC1)CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000362040534 416550199 /nfs/dbraw/zinc/55/01/99/416550199.db2.gz PRHFELPKPZJSGQ-CALCHBBNSA-N 2 2 322.453 0.397 20 30 DCEDLP N#CCCN(CC[NH+]1CCOCC1)CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000362040534 416550203 /nfs/dbraw/zinc/55/02/03/416550203.db2.gz PRHFELPKPZJSGQ-CALCHBBNSA-N 2 2 322.453 0.397 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000491514325 416604187 /nfs/dbraw/zinc/60/41/87/416604187.db2.gz HMOFJYWWJUIYPR-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000491514325 416604190 /nfs/dbraw/zinc/60/41/90/416604190.db2.gz HMOFJYWWJUIYPR-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)CC1 ZINC000491645721 416609562 /nfs/dbraw/zinc/60/95/62/416609562.db2.gz QFUCRBYRMUDFHS-YOEHRIQHSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000491691157 416615538 /nfs/dbraw/zinc/61/55/38/416615538.db2.gz NZWAFFUTCXGRKB-MRXNPFEDSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000491691157 416615542 /nfs/dbraw/zinc/61/55/42/416615542.db2.gz NZWAFFUTCXGRKB-MRXNPFEDSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491731895 416620308 /nfs/dbraw/zinc/62/03/08/416620308.db2.gz BFXRLKQBLLRXPE-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000491731895 416620312 /nfs/dbraw/zinc/62/03/12/416620312.db2.gz BFXRLKQBLLRXPE-UHFFFAOYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000491733166 416620799 /nfs/dbraw/zinc/62/07/99/416620799.db2.gz BFSRUSDAKNFLRP-HNNXBMFYSA-N 2 2 307.463 0.591 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000491733166 416620804 /nfs/dbraw/zinc/62/08/04/416620804.db2.gz BFSRUSDAKNFLRP-HNNXBMFYSA-N 2 2 307.463 0.591 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000491768428 416625691 /nfs/dbraw/zinc/62/56/91/416625691.db2.gz JHLKRPQQJDYCQF-KRWDZBQOSA-N 2 2 321.490 0.983 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000491768428 416625697 /nfs/dbraw/zinc/62/56/97/416625697.db2.gz JHLKRPQQJDYCQF-KRWDZBQOSA-N 2 2 321.490 0.983 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000491806260 416630896 /nfs/dbraw/zinc/63/08/96/416630896.db2.gz QVSIWZRBDOXHBY-HZPDHXFCSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000491806260 416630898 /nfs/dbraw/zinc/63/08/98/416630898.db2.gz QVSIWZRBDOXHBY-HZPDHXFCSA-N 2 2 307.438 0.247 20 30 DCEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000566607934 417051609 /nfs/dbraw/zinc/05/16/09/417051609.db2.gz GLYQULOGKCHNSA-HZPDHXFCSA-N 2 2 312.458 0.139 20 30 DCEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000566607934 417051612 /nfs/dbraw/zinc/05/16/12/417051612.db2.gz GLYQULOGKCHNSA-HZPDHXFCSA-N 2 2 312.458 0.139 20 30 DCEDLP C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000648780359 418155982 /nfs/dbraw/zinc/15/59/82/418155982.db2.gz FNVSAUKQBIUVRE-CYBMUJFWSA-N 2 2 318.425 0.362 20 30 DCEDLP C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nn1 ZINC000648780359 418155985 /nfs/dbraw/zinc/15/59/85/418155985.db2.gz FNVSAUKQBIUVRE-CYBMUJFWSA-N 2 2 318.425 0.362 20 30 DCEDLP C=CCCn1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)nn1 ZINC000655939237 418304682 /nfs/dbraw/zinc/30/46/82/418304682.db2.gz DNGXZEHZQYJWNA-HNNXBMFYSA-N 2 2 316.413 0.742 20 30 DCEDLP C=CCCn1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)nn1 ZINC000655939237 418304684 /nfs/dbraw/zinc/30/46/84/418304684.db2.gz DNGXZEHZQYJWNA-HNNXBMFYSA-N 2 2 316.413 0.742 20 30 DCEDLP C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551908 418274367 /nfs/dbraw/zinc/27/43/67/418274367.db2.gz KBDJTDCAWYLNPN-LSDHHAIUSA-N 2 2 324.469 0.781 20 30 DCEDLP C=CCC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551908 418274370 /nfs/dbraw/zinc/27/43/70/418274370.db2.gz KBDJTDCAWYLNPN-LSDHHAIUSA-N 2 2 324.469 0.781 20 30 DCEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000333425827 303160821 /nfs/dbraw/zinc/16/08/21/303160821.db2.gz GTCIUQBDEDNHDQ-QLFBSQMISA-N 2 2 306.410 0.201 20 30 DCEDLP C[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)C[NH+]1CCOCC1 ZINC000582122378 333302136 /nfs/dbraw/zinc/30/21/36/333302136.db2.gz MFKYKSDLKPZNOB-CYBMUJFWSA-N 2 2 314.393 0.659 20 30 DCEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000236658355 340663409 /nfs/dbraw/zinc/66/34/09/340663409.db2.gz MNMOEJKISZVTJV-HNNXBMFYSA-N 2 2 322.453 0.233 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153967603 526536911 /nfs/dbraw/zinc/53/69/11/526536911.db2.gz AUZCITMDCMYICE-HZPDHXFCSA-N 2 2 308.470 0.779 20 30 DCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329466340 546049678 /nfs/dbraw/zinc/04/96/78/546049678.db2.gz RXXYZNIMOCUBSI-KGLIPLIRSA-N 2 2 309.458 0.363 20 30 DCEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329466340 546049684 /nfs/dbraw/zinc/04/96/84/546049684.db2.gz RXXYZNIMOCUBSI-KGLIPLIRSA-N 2 2 309.458 0.363 20 30 DCEDLP C=CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000662253660 546371833 /nfs/dbraw/zinc/37/18/33/546371833.db2.gz VJSQOUHBVZRAMT-OLZOCXBDSA-N 2 2 300.424 0.183 20 30 DCEDLP C=CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCS(=O)(=O)C1 ZINC000662253660 546371835 /nfs/dbraw/zinc/37/18/35/546371835.db2.gz VJSQOUHBVZRAMT-OLZOCXBDSA-N 2 2 300.424 0.183 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001666691118 1174623411 /nfs/dbraw/zinc/62/34/11/1174623411.db2.gz FWIHGKAEEQDIPF-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001666691118 1174623414 /nfs/dbraw/zinc/62/34/14/1174623414.db2.gz FWIHGKAEEQDIPF-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001666691118 1174623405 /nfs/dbraw/zinc/62/34/05/1174623405.db2.gz FWIHGKAEEQDIPF-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001666691118 1174623407 /nfs/dbraw/zinc/62/34/07/1174623407.db2.gz FWIHGKAEEQDIPF-GJZGRUSLSA-N 2 2 311.426 0.100 20 30 DCEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC#CCO)CC2)CC1 ZINC000923762993 661267571 /nfs/dbraw/zinc/26/75/71/661267571.db2.gz FMIFSLURYZDIFF-UHFFFAOYSA-N 2 2 322.453 0.184 20 30 DCEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC#CCO)CC2)CC1 ZINC000923762993 661267572 /nfs/dbraw/zinc/26/75/72/661267572.db2.gz FMIFSLURYZDIFF-UHFFFAOYSA-N 2 2 322.453 0.184 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001020432256 657604283 /nfs/dbraw/zinc/60/42/83/657604283.db2.gz HAPBEZUIJWMZGT-BZUAXINKSA-N 2 2 307.438 0.910 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001020432256 657604287 /nfs/dbraw/zinc/60/42/87/657604287.db2.gz HAPBEZUIJWMZGT-BZUAXINKSA-N 2 2 307.438 0.910 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972381338 658645049 /nfs/dbraw/zinc/64/50/49/658645049.db2.gz POMAAKSKPVTAES-SJLPKXTDSA-N 2 2 319.449 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972381338 658645053 /nfs/dbraw/zinc/64/50/53/658645053.db2.gz POMAAKSKPVTAES-SJLPKXTDSA-N 2 2 319.449 0.818 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380838 658645879 /nfs/dbraw/zinc/64/58/79/658645879.db2.gz KIAISJAAICSHNA-WMZOPIPTSA-N 2 2 317.433 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000972380838 658645884 /nfs/dbraw/zinc/64/58/84/658645884.db2.gz KIAISJAAICSHNA-WMZOPIPTSA-N 2 2 317.433 0.265 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389409 658704352 /nfs/dbraw/zinc/70/43/52/658704352.db2.gz MQVMJZSSMXVKQX-BFYDXBDKSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389409 658704356 /nfs/dbraw/zinc/70/43/56/658704356.db2.gz MQVMJZSSMXVKQX-BFYDXBDKSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389409 658704360 /nfs/dbraw/zinc/70/43/60/658704360.db2.gz MQVMJZSSMXVKQX-BFYDXBDKSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389409 658704364 /nfs/dbraw/zinc/70/43/64/658704364.db2.gz MQVMJZSSMXVKQX-BFYDXBDKSA-N 2 2 307.438 0.816 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641673 661714598 /nfs/dbraw/zinc/71/45/98/661714598.db2.gz ITDQULGDELNWLD-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641673 661714599 /nfs/dbraw/zinc/71/45/99/661714599.db2.gz ITDQULGDELNWLD-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641940 661715254 /nfs/dbraw/zinc/71/52/54/661715254.db2.gz MTYWVAZMZWMQEK-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641940 661715257 /nfs/dbraw/zinc/71/52/57/661715257.db2.gz MTYWVAZMZWMQEK-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032785021 665824074 /nfs/dbraw/zinc/82/40/74/665824074.db2.gz SVTKONGWMXBHLW-JYJNAYRXSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032785021 665824077 /nfs/dbraw/zinc/82/40/77/665824077.db2.gz SVTKONGWMXBHLW-JYJNAYRXSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1 ZINC000983901410 662072930 /nfs/dbraw/zinc/07/29/30/662072930.db2.gz NWSGRBGCDDGBAJ-YDHLFZDLSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cnon2)C1 ZINC000983901410 662072932 /nfs/dbraw/zinc/07/29/32/662072932.db2.gz NWSGRBGCDDGBAJ-YDHLFZDLSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CC[NH+]1CCC(Nc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000895808376 662218821 /nfs/dbraw/zinc/21/88/21/662218821.db2.gz LQIMRCQDMZQYRY-UHFFFAOYSA-N 2 2 301.394 0.823 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985355006 662417147 /nfs/dbraw/zinc/41/71/47/662417147.db2.gz QZWIMANAUYXVDY-CQSZACIVSA-N 2 2 315.845 0.992 20 30 DCEDLP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985355006 662417149 /nfs/dbraw/zinc/41/71/49/662417149.db2.gz QZWIMANAUYXVDY-CQSZACIVSA-N 2 2 315.845 0.992 20 30 DCEDLP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000985355006 662417150 /nfs/dbraw/zinc/41/71/50/662417150.db2.gz QZWIMANAUYXVDY-CQSZACIVSA-N 2 2 315.845 0.992 20 30 DCEDLP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000985355006 662417151 /nfs/dbraw/zinc/41/71/51/662417151.db2.gz QZWIMANAUYXVDY-CQSZACIVSA-N 2 2 315.845 0.992 20 30 DCEDLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1CCC#N ZINC000898670291 663102084 /nfs/dbraw/zinc/10/20/84/663102084.db2.gz WCTWGWDXGMPBOW-UHFFFAOYSA-N 2 2 320.441 0.719 20 30 DCEDLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1CCC#N ZINC000898670291 663102085 /nfs/dbraw/zinc/10/20/85/663102085.db2.gz WCTWGWDXGMPBOW-UHFFFAOYSA-N 2 2 320.441 0.719 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414030 665993844 /nfs/dbraw/zinc/99/38/44/665993844.db2.gz KHDPDYSWASAKTJ-DLBZAZTESA-N 2 2 318.465 0.178 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC000941414030 665993845 /nfs/dbraw/zinc/99/38/45/665993845.db2.gz KHDPDYSWASAKTJ-DLBZAZTESA-N 2 2 318.465 0.178 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)OC)C1 ZINC001030024728 664178716 /nfs/dbraw/zinc/17/87/16/664178716.db2.gz OOEKKUKKMJVNOH-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)OC)C1 ZINC001030024728 664178717 /nfs/dbraw/zinc/17/87/17/664178717.db2.gz OOEKKUKKMJVNOH-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](C)OC)C1 ZINC001030024728 664178719 /nfs/dbraw/zinc/17/87/19/664178719.db2.gz OOEKKUKKMJVNOH-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](C)OC)C1 ZINC001030024728 664178721 /nfs/dbraw/zinc/17/87/21/664178721.db2.gz OOEKKUKKMJVNOH-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000730285235 664676804 /nfs/dbraw/zinc/67/68/04/664676804.db2.gz JQQYCVJKJFCYNM-INIZCTEOSA-N 2 2 319.449 0.845 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000730285235 664676805 /nfs/dbraw/zinc/67/68/05/664676805.db2.gz JQQYCVJKJFCYNM-INIZCTEOSA-N 2 2 319.449 0.845 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000732308352 664912876 /nfs/dbraw/zinc/91/28/76/664912876.db2.gz YBJUQCCBFVAYHK-HOTGVXAUSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000732308352 664912877 /nfs/dbraw/zinc/91/28/77/664912877.db2.gz YBJUQCCBFVAYHK-HOTGVXAUSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC001031435303 665149804 /nfs/dbraw/zinc/14/98/04/665149804.db2.gz XCYMAZLIIWWXEX-KRWDZBQOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001563525 666074167 /nfs/dbraw/zinc/07/41/67/666074167.db2.gz QMVZHSRLKRPIMA-OAHLLOKOSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031978929 666080126 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2 319.449 0.844 20 30 DCEDLP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591719 666505983 /nfs/dbraw/zinc/50/59/83/666505983.db2.gz UFCCXUSFRJWRKV-STQMWFEESA-N 2 2 315.845 0.896 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000995983078 666725917 /nfs/dbraw/zinc/72/59/17/666725917.db2.gz WRVJLIYBYRDZAL-KGLIPLIRSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[C@H](CCOC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000862547291 667047130 /nfs/dbraw/zinc/04/71/30/667047130.db2.gz ABONVPQZHDENFD-QGZVFWFLSA-N 2 2 323.481 0.801 20 30 DCEDLP C#CC[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005639017 667112287 /nfs/dbraw/zinc/11/22/87/667112287.db2.gz NIHAIXYXNRWKJZ-UHFFFAOYSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCC2CC2)CCO1 ZINC001035401157 667325122 /nfs/dbraw/zinc/32/51/22/667325122.db2.gz VTXBGBDGZKVJBQ-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001035401157 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20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884612851 667575896 /nfs/dbraw/zinc/57/58/96/667575896.db2.gz VYHORQZZLQGWTC-CQSZACIVSA-N 2 2 301.394 0.823 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000890362932 668120285 /nfs/dbraw/zinc/12/02/85/668120285.db2.gz IRZAHKAPPREOQZ-OWCLPIDISA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000890362932 668120288 /nfs/dbraw/zinc/12/02/88/668120288.db2.gz IRZAHKAPPREOQZ-OWCLPIDISA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000890362932 668120290 /nfs/dbraw/zinc/12/02/90/668120290.db2.gz IRZAHKAPPREOQZ-OWCLPIDISA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000890362932 668120292 /nfs/dbraw/zinc/12/02/92/668120292.db2.gz IRZAHKAPPREOQZ-OWCLPIDISA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000890365307 668121183 /nfs/dbraw/zinc/12/11/83/668121183.db2.gz SJXHAWRFGJGQEX-CVEARBPZSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000890365307 668121188 /nfs/dbraw/zinc/12/11/88/668121188.db2.gz SJXHAWRFGJGQEX-CVEARBPZSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000932394925 669358578 /nfs/dbraw/zinc/35/85/78/669358578.db2.gz ULLPDWDHOYKDAN-INIZCTEOSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000932394925 669358583 /nfs/dbraw/zinc/35/85/83/669358583.db2.gz ULLPDWDHOYKDAN-INIZCTEOSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000932394925 669358587 /nfs/dbraw/zinc/35/85/87/669358587.db2.gz ULLPDWDHOYKDAN-INIZCTEOSA-N 2 2 309.454 0.803 20 30 DCEDLP C#CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000932394925 669358591 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CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687721 749845316 /nfs/dbraw/zinc/84/53/16/749845316.db2.gz OZPDAQLUWHNAAT-OCCSQVGLSA-N 2 2 304.394 0.952 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687721 749845323 /nfs/dbraw/zinc/84/53/23/749845323.db2.gz OZPDAQLUWHNAAT-OCCSQVGLSA-N 2 2 304.394 0.952 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993539 752833822 /nfs/dbraw/zinc/83/38/22/752833822.db2.gz SHIHLCSMRRSJEQ-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993539 752833830 /nfs/dbraw/zinc/83/38/30/752833830.db2.gz SHIHLCSMRRSJEQ-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046066599 753460407 /nfs/dbraw/zinc/46/04/07/753460407.db2.gz NPJTTXXWBNKMMH-HNNXBMFYSA-N 2 2 303.410 0.357 20 30 DCEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046066599 753460410 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SQOGGNVDKMFUCF-GDBMZVCRSA-N 2 2 312.373 0.751 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362015 755694315 /nfs/dbraw/zinc/69/43/15/755694315.db2.gz SQOGGNVDKMFUCF-GDBMZVCRSA-N 2 2 312.373 0.751 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429700 756042062 /nfs/dbraw/zinc/04/20/62/756042062.db2.gz UNLDEECTKTZNDO-CABCVRRESA-N 2 2 307.438 0.673 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429700 756042067 /nfs/dbraw/zinc/04/20/67/756042067.db2.gz UNLDEECTKTZNDO-CABCVRRESA-N 2 2 307.438 0.673 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)CO2 ZINC001053766333 756191107 /nfs/dbraw/zinc/19/11/07/756191107.db2.gz LCTLGCFUDWGIDY-HUUCEWRRSA-N 2 2 323.437 0.243 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)CO2 ZINC001053766333 756191109 /nfs/dbraw/zinc/19/11/09/756191109.db2.gz LCTLGCFUDWGIDY-HUUCEWRRSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)CO2 ZINC001054015871 756335069 /nfs/dbraw/zinc/33/50/69/756335069.db2.gz RJBJSNBGQFLGPZ-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)CO2 ZINC001054015871 756335075 /nfs/dbraw/zinc/33/50/75/756335075.db2.gz RJBJSNBGQFLGPZ-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054015874 756335264 /nfs/dbraw/zinc/33/52/64/756335264.db2.gz RJBJSNBGQFLGPZ-JKSUJKDBSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054015874 756335269 /nfs/dbraw/zinc/33/52/69/756335269.db2.gz RJBJSNBGQFLGPZ-JKSUJKDBSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001082129241 756940212 /nfs/dbraw/zinc/94/02/12/756940212.db2.gz ILIZGTZBEXRDMR-FVQBIDKESA-N 2 2 318.421 0.755 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001082129241 756940213 /nfs/dbraw/zinc/94/02/13/756940213.db2.gz ILIZGTZBEXRDMR-FVQBIDKESA-N 2 2 318.421 0.755 20 30 DCEDLP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090383029 757277079 /nfs/dbraw/zinc/27/70/79/757277079.db2.gz WLNCTAQPCZJFOM-ZFWWWQNUSA-N 2 2 322.409 0.477 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090383029 757277084 /nfs/dbraw/zinc/27/70/84/757277084.db2.gz WLNCTAQPCZJFOM-ZFWWWQNUSA-N 2 2 322.409 0.477 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036204 759131585 /nfs/dbraw/zinc/13/15/85/759131585.db2.gz HOTOCMFTZYESTF-IRXDYDNUSA-N 2 2 318.465 0.178 20 30 DCEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045135 759138951 /nfs/dbraw/zinc/13/89/51/759138951.db2.gz QCPJPXXFFJNQCM-HOTGVXAUSA-N 2 2 319.453 0.213 20 30 DCEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045135 759138955 /nfs/dbraw/zinc/13/89/55/759138955.db2.gz QCPJPXXFFJNQCM-HOTGVXAUSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052072981 759158515 /nfs/dbraw/zinc/15/85/15/759158515.db2.gz DVMFFABCALIDGX-QGZVFWFLSA-N 2 2 318.465 0.180 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083711 760186382 /nfs/dbraw/zinc/18/63/82/760186382.db2.gz VSVFJHPJDPJZKQ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083711 760186384 /nfs/dbraw/zinc/18/63/84/760186384.db2.gz VSVFJHPJDPJZKQ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083711 760186388 /nfs/dbraw/zinc/18/63/88/760186388.db2.gz VSVFJHPJDPJZKQ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083711 760186379 /nfs/dbraw/zinc/18/63/79/760186379.db2.gz VSVFJHPJDPJZKQ-STQMWFEESA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C[NH+](CC)CC)CC2=O)C1 ZINC001108581680 760920026 /nfs/dbraw/zinc/92/00/26/760920026.db2.gz WYKATGLNEFCQCH-CQSZACIVSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098774167 762728459 /nfs/dbraw/zinc/72/84/59/762728459.db2.gz WBNDHNPIWBPSBB-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098774167 762728468 /nfs/dbraw/zinc/72/84/68/762728468.db2.gz WBNDHNPIWBPSBB-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774167 762728475 /nfs/dbraw/zinc/72/84/75/762728475.db2.gz WBNDHNPIWBPSBB-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774167 762728480 /nfs/dbraw/zinc/72/84/80/762728480.db2.gz WBNDHNPIWBPSBB-UXLLHSPISA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872589 763091437 /nfs/dbraw/zinc/09/14/37/763091437.db2.gz WWGDXFZQIXPVCA-GJZGRUSLSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872589 763091444 /nfs/dbraw/zinc/09/14/44/763091444.db2.gz WWGDXFZQIXPVCA-GJZGRUSLSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872589 763091450 /nfs/dbraw/zinc/09/14/50/763091450.db2.gz WWGDXFZQIXPVCA-GJZGRUSLSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872589 763091457 /nfs/dbraw/zinc/09/14/57/763091457.db2.gz WWGDXFZQIXPVCA-GJZGRUSLSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100063686 763271620 /nfs/dbraw/zinc/27/16/20/763271620.db2.gz BGDSNAPPRLPLAJ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100063686 763271629 /nfs/dbraw/zinc/27/16/29/763271629.db2.gz BGDSNAPPRLPLAJ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063686 763271637 /nfs/dbraw/zinc/27/16/37/763271637.db2.gz BGDSNAPPRLPLAJ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)[C@H](O)C1 ZINC001100063686 763271646 /nfs/dbraw/zinc/27/16/46/763271646.db2.gz BGDSNAPPRLPLAJ-CHWSQXEVSA-N 2 2 303.834 0.632 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001130452606 763321157 /nfs/dbraw/zinc/32/11/57/763321157.db2.gz JLMBKLBTPIPBFX-ZDUSSCGKSA-N 2 2 314.393 0.898 20 30 DCEDLP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001130452606 763321164 /nfs/dbraw/zinc/32/11/64/763321164.db2.gz JLMBKLBTPIPBFX-ZDUSSCGKSA-N 2 2 314.393 0.898 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001100348202 763509390 /nfs/dbraw/zinc/50/93/90/763509390.db2.gz ZOEUMEBNUNWZOC-UHFFFAOYSA-N 2 2 300.406 0.880 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]c(C)n1 ZINC001100388319 763539197 /nfs/dbraw/zinc/53/91/97/763539197.db2.gz IKXQSDYJVLYMLD-HNNXBMFYSA-N 2 2 315.421 0.743 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)c1cc(C)[nH+]c(C)n1 ZINC001100388319 763539207 /nfs/dbraw/zinc/53/92/07/763539207.db2.gz IKXQSDYJVLYMLD-HNNXBMFYSA-N 2 2 315.421 0.743 20 30 DCEDLP C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131379412 763789415 /nfs/dbraw/zinc/78/94/15/763789415.db2.gz YKECJYMQBJBMRZ-UHFFFAOYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CC[N@H+]1CCNC(=O)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001131379412 763789416 /nfs/dbraw/zinc/78/94/16/763789416.db2.gz YKECJYMQBJBMRZ-UHFFFAOYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488314 764113108 /nfs/dbraw/zinc/11/31/08/764113108.db2.gz YNDRVOXUVYOHCX-WBVHZDCISA-N 2 2 318.421 0.866 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488314 764113111 /nfs/dbraw/zinc/11/31/11/764113111.db2.gz YNDRVOXUVYOHCX-WBVHZDCISA-N 2 2 318.421 0.866 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222004 764320088 /nfs/dbraw/zinc/32/00/88/764320088.db2.gz RPPUAENMBPBOIC-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222004 764320090 /nfs/dbraw/zinc/32/00/90/764320090.db2.gz RPPUAENMBPBOIC-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132425944 764453507 /nfs/dbraw/zinc/45/35/07/764453507.db2.gz PIOZPUOAHOUVCD-CABCVRRESA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001132425944 764453509 /nfs/dbraw/zinc/45/35/09/764453509.db2.gz PIOZPUOAHOUVCD-CABCVRRESA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021325 765450636 /nfs/dbraw/zinc/45/06/36/765450636.db2.gz HFXXPWRDXGCUHX-RDJZCZTQSA-N 2 2 316.405 0.504 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021325 765450639 /nfs/dbraw/zinc/45/06/39/765450639.db2.gz HFXXPWRDXGCUHX-RDJZCZTQSA-N 2 2 316.405 0.504 20 30 DCEDLP C=CCN(C)C(=O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001117169068 765999781 /nfs/dbraw/zinc/99/97/81/765999781.db2.gz ASRLQFAZIBRANB-UHFFFAOYSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944107 766179481 /nfs/dbraw/zinc/17/94/81/766179481.db2.gz FCYSPWYRVQYDEE-OLZOCXBDSA-N 2 2 321.425 0.138 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC001121818399 767642102 /nfs/dbraw/zinc/64/21/02/767642102.db2.gz PPPIGGGKCNWWRF-UHFFFAOYSA-N 2 2 301.390 0.358 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160473 769144060 /nfs/dbraw/zinc/14/40/60/769144060.db2.gz QGBOBSMNHLTJPH-ILXRZTDVSA-N 2 2 322.453 0.350 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110160473 769144065 /nfs/dbraw/zinc/14/40/65/769144065.db2.gz QGBOBSMNHLTJPH-ILXRZTDVSA-N 2 2 322.453 0.350 20 30 DCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110160473 769144078 /nfs/dbraw/zinc/14/40/78/769144078.db2.gz QGBOBSMNHLTJPH-ILXRZTDVSA-N 2 2 322.453 0.350 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2csnn2)CC1 ZINC001152329943 769528667 /nfs/dbraw/zinc/52/86/67/769528667.db2.gz FMAKBNLPPYGVAY-LBPRGKRZSA-N 2 2 321.450 0.650 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265187 771570755 /nfs/dbraw/zinc/57/07/55/771570755.db2.gz OJLOBGNKMANHSZ-GFCCVEGCSA-N 2 2 307.398 0.129 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183562076 771664753 /nfs/dbraw/zinc/66/47/53/771664753.db2.gz MIJULFUFSTXAKE-OAHLLOKOSA-N 2 2 318.421 0.767 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420181 772182910 /nfs/dbraw/zinc/18/29/10/772182910.db2.gz DAOMGUHAMHFFRO-QWHCGFSZSA-N 2 2 319.409 0.142 20 30 DCEDLP N#Cc1ccc(O[C@H]2CCCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)C2)cc1 ZINC001161323616 772204358 /nfs/dbraw/zinc/20/43/58/772204358.db2.gz AEBRDZKQNFPQTD-BPUTZDHNSA-N 2 2 314.389 0.617 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001165836500 772765849 /nfs/dbraw/zinc/76/58/49/772765849.db2.gz PQHBFRNFUTVEOG-AWEZNQCLSA-N 2 2 300.406 0.955 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474303 772815133 /nfs/dbraw/zinc/81/51/33/772815133.db2.gz LHFACAKDMJSNHM-UHFFFAOYSA-N 2 2 318.421 0.799 20 30 DCEDLP COCC#CC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203493796 772909199 /nfs/dbraw/zinc/90/91/99/772909199.db2.gz DEWMBXOTHCTYFG-UHFFFAOYSA-N 2 2 304.394 0.491 20 30 DCEDLP COCC#CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206402854 773073988 /nfs/dbraw/zinc/07/39/88/773073988.db2.gz MKXWLPWNHQMNIU-UHFFFAOYSA-N 2 2 304.394 0.430 20 30 DCEDLP C#CCC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001206603582 773092735 /nfs/dbraw/zinc/09/27/35/773092735.db2.gz RHANOXWASQGDJY-UHFFFAOYSA-N 2 2 321.465 0.949 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001193912337 773128602 /nfs/dbraw/zinc/12/86/02/773128602.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001193912337 773128603 /nfs/dbraw/zinc/12/86/03/773128603.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001193912337 773128605 /nfs/dbraw/zinc/12/86/05/773128605.db2.gz WTBXLOFXTSSQMC-QHSBEEBCSA-N 2 2 304.394 0.641 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCOC)C[C@H]1C ZINC001207582951 773243043 /nfs/dbraw/zinc/24/30/43/773243043.db2.gz GUAABKVOKKEJEK-ZACQAIPSSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@H]1C ZINC001207582951 773243047 /nfs/dbraw/zinc/24/30/47/773243047.db2.gz GUAABKVOKKEJEK-ZACQAIPSSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCOC)C[C@H]1C ZINC001207582951 773243051 /nfs/dbraw/zinc/24/30/51/773243051.db2.gz GUAABKVOKKEJEK-ZACQAIPSSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCOC)C[C@H]1C ZINC001207582951 773243054 /nfs/dbraw/zinc/24/30/54/773243054.db2.gz GUAABKVOKKEJEK-ZACQAIPSSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196215492 773559184 /nfs/dbraw/zinc/55/91/84/773559184.db2.gz LGOAWNQHBADDLT-INIZCTEOSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196215492 773559186 /nfs/dbraw/zinc/55/91/86/773559186.db2.gz LGOAWNQHBADDLT-INIZCTEOSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196667723 773629722 /nfs/dbraw/zinc/62/97/22/773629722.db2.gz RMLNXIGTYBFYNQ-ZIAGYGMSSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196667723 773629724 /nfs/dbraw/zinc/62/97/24/773629724.db2.gz RMLNXIGTYBFYNQ-ZIAGYGMSSA-N 2 2 306.410 0.744 20 30 DCEDLP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197158744 773707580 /nfs/dbraw/zinc/70/75/80/773707580.db2.gz VLIPLJCUTDSTNH-UHFFFAOYSA-N 2 2 321.465 0.902 20 30 DCEDLP COCC#CC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197158744 773707585 /nfs/dbraw/zinc/70/75/85/773707585.db2.gz VLIPLJCUTDSTNH-UHFFFAOYSA-N 2 2 321.465 0.902 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001197158744 773707588 /nfs/dbraw/zinc/70/75/88/773707588.db2.gz VLIPLJCUTDSTNH-UHFFFAOYSA-N 2 2 321.465 0.902 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001197158744 773707593 /nfs/dbraw/zinc/70/75/93/773707593.db2.gz VLIPLJCUTDSTNH-UHFFFAOYSA-N 2 2 321.465 0.902 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667479 773727938 /nfs/dbraw/zinc/72/79/38/773727938.db2.gz GHBSEPLVHWCGFW-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213799018 773887756 /nfs/dbraw/zinc/88/77/56/773887756.db2.gz VVGNCPQXNFAYNG-HUUCEWRRSA-N 2 2 306.410 0.744 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213799018 773887759 /nfs/dbraw/zinc/88/77/59/773887759.db2.gz VVGNCPQXNFAYNG-HUUCEWRRSA-N 2 2 306.410 0.744 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934052 773904123 /nfs/dbraw/zinc/90/41/23/773904123.db2.gz JHPWNGXYYWXKPQ-ZACQAIPSSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934052 773904126 /nfs/dbraw/zinc/90/41/26/773904126.db2.gz JHPWNGXYYWXKPQ-ZACQAIPSSA-N 2 2 321.465 0.946 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814422 774015497 /nfs/dbraw/zinc/01/54/97/774015497.db2.gz UBNYIRSHRRPCRO-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814422 774015506 /nfs/dbraw/zinc/01/55/06/774015506.db2.gz UBNYIRSHRRPCRO-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199127396 774032907 /nfs/dbraw/zinc/03/29/07/774032907.db2.gz BCGBANSYXYEAKL-ZACQAIPSSA-N 2 2 321.465 0.682 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199127396 774032913 /nfs/dbraw/zinc/03/29/13/774032913.db2.gz BCGBANSYXYEAKL-ZACQAIPSSA-N 2 2 321.465 0.682 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269021 774054688 /nfs/dbraw/zinc/05/46/88/774054688.db2.gz HYUAFCAMKYTQHM-HUUCEWRRSA-N 2 2 304.394 0.360 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216564950 774123227 /nfs/dbraw/zinc/12/32/27/774123227.db2.gz FNXOZYNKTBQBOS-IUODEOHRSA-N 2 2 306.410 0.900 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218623588 774265824 /nfs/dbraw/zinc/26/58/24/774265824.db2.gz CTCQJFSKKJKNTE-OWCLPIDISA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218623588 774265830 /nfs/dbraw/zinc/26/58/30/774265830.db2.gz CTCQJFSKKJKNTE-OWCLPIDISA-N 2 2 307.438 0.652 20 30 DCEDLP N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218718111 774287795 /nfs/dbraw/zinc/28/77/95/774287795.db2.gz MAAMCZGOFURCMD-OLZOCXBDSA-N 2 2 308.345 0.643 20 30 DCEDLP N#Cc1cnnc(-c2ccccc2)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218719065 774288734 /nfs/dbraw/zinc/28/87/34/774288734.db2.gz URRUESSGAHJOIB-STQMWFEESA-N 2 2 308.345 0.500 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219663329 774574527 /nfs/dbraw/zinc/57/45/27/774574527.db2.gz YLEUSYBCCLDFSF-MJBXVCDLSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219663329 774574529 /nfs/dbraw/zinc/57/45/29/774574529.db2.gz YLEUSYBCCLDFSF-MJBXVCDLSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208203 774615946 /nfs/dbraw/zinc/61/59/46/774615946.db2.gz KPYFOQTWVDPEEL-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185616 774726077 /nfs/dbraw/zinc/72/60/77/774726077.db2.gz IJDFPUAPTDKYLA-KBPBESRZSA-N 2 2 322.359 0.789 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161249 775011964 /nfs/dbraw/zinc/01/19/64/775011964.db2.gz CPVRVALEGWAYTD-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161249 775011969 /nfs/dbraw/zinc/01/19/69/775011969.db2.gz CPVRVALEGWAYTD-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438383 776305576 /nfs/dbraw/zinc/30/55/76/776305576.db2.gz MNZAEFALKZEHKY-CYBMUJFWSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001277978315 945076231 /nfs/dbraw/zinc/07/62/31/945076231.db2.gz JPNXZWMDKCDUDZ-RYUDHWBXSA-N 2 2 307.398 0.079 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001278112136 945140313 /nfs/dbraw/zinc/14/03/13/945140313.db2.gz HXERYYSICGWMAK-CYBMUJFWSA-N 2 2 302.378 0.981 20 30 DCEDLP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001278206234 945180624 /nfs/dbraw/zinc/18/06/24/945180624.db2.gz JILOJDCUCITYIC-OAHLLOKOSA-N 2 2 318.421 0.844 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317770248 945182097 /nfs/dbraw/zinc/18/20/97/945182097.db2.gz PODAKCWYQRECQT-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001317770248 945182100 /nfs/dbraw/zinc/18/21/00/945182100.db2.gz PODAKCWYQRECQT-SJORKVTESA-N 2 2 321.465 0.901 20 30 DCEDLP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266411511 939109624 /nfs/dbraw/zinc/10/96/24/939109624.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266411511 939109617 /nfs/dbraw/zinc/10/96/17/939109617.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266411511 939109620 /nfs/dbraw/zinc/10/96/20/939109620.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266411511 939109622 /nfs/dbraw/zinc/10/96/22/939109622.db2.gz XVTIDFTVUWBZKO-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP COCC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267394545 939448060 /nfs/dbraw/zinc/44/80/60/939448060.db2.gz GEMOPWJAYUNLPH-CQSZACIVSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CC=C)CC1 ZINC001267573688 939518875 /nfs/dbraw/zinc/51/88/75/939518875.db2.gz XHVHRIOMQKCITB-KRWDZBQOSA-N 2 2 318.465 0.346 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN1CC[NH+](CC=C)CC1 ZINC001267573688 939518877 /nfs/dbraw/zinc/51/88/77/939518877.db2.gz XHVHRIOMQKCITB-KRWDZBQOSA-N 2 2 318.465 0.346 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267768351 939671105 /nfs/dbraw/zinc/67/11/05/939671105.db2.gz UHZZDQNBJDWJDC-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267768351 939671106 /nfs/dbraw/zinc/67/11/06/939671106.db2.gz UHZZDQNBJDWJDC-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCC=C)CCO1 ZINC001268026438 939754354 /nfs/dbraw/zinc/75/43/54/939754354.db2.gz UXSNWUWVFBXYMH-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCC=C)CCO1 ZINC001268026438 939754355 /nfs/dbraw/zinc/75/43/55/939754355.db2.gz UXSNWUWVFBXYMH-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC=C)CCO1 ZINC001268026438 939754356 /nfs/dbraw/zinc/75/43/56/939754356.db2.gz UXSNWUWVFBXYMH-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC=C)CCO1 ZINC001268026438 939754357 /nfs/dbraw/zinc/75/43/57/939754357.db2.gz UXSNWUWVFBXYMH-IRXDYDNUSA-N 2 2 319.449 0.867 20 30 DCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268367494 940083362 /nfs/dbraw/zinc/08/33/62/940083362.db2.gz VFIFMKSDIFYKQV-WFASDCNBSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268367494 940083365 /nfs/dbraw/zinc/08/33/65/940083365.db2.gz VFIFMKSDIFYKQV-WFASDCNBSA-N 2 2 303.410 0.908 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481723130 940087682 /nfs/dbraw/zinc/08/76/82/940087682.db2.gz WMYWLHVKRAZJIY-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001481723130 940087686 /nfs/dbraw/zinc/08/76/86/940087686.db2.gz WMYWLHVKRAZJIY-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001481723130 940087689 /nfs/dbraw/zinc/08/76/89/940087689.db2.gz WMYWLHVKRAZJIY-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001481723130 940087693 /nfs/dbraw/zinc/08/76/93/940087693.db2.gz WMYWLHVKRAZJIY-GJZGRUSLSA-N 2 2 311.426 0.052 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268402260 940106022 /nfs/dbraw/zinc/10/60/22/940106022.db2.gz GQVZAMSYYSESTM-RBSFLKMASA-N 2 2 318.421 0.658 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001271072626 941253216 /nfs/dbraw/zinc/25/32/16/941253216.db2.gz GPAZRTUSJZVLER-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001271072626 941253218 /nfs/dbraw/zinc/25/32/18/941253218.db2.gz GPAZRTUSJZVLER-CQSZACIVSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001271616069 941412696 /nfs/dbraw/zinc/41/26/96/941412696.db2.gz HZYOQQJCUZPAHO-CABCVRRESA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001271616069 941412699 /nfs/dbraw/zinc/41/26/99/941412699.db2.gz HZYOQQJCUZPAHO-CABCVRRESA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001482687219 941623988 /nfs/dbraw/zinc/62/39/88/941623988.db2.gz XHKMKYSVDGXHPY-HZPDHXFCSA-N 2 2 318.421 0.798 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001483136446 941902692 /nfs/dbraw/zinc/90/26/92/941902692.db2.gz SBSLWFHCBMVZER-HIFRSBDPSA-N 2 2 303.410 0.112 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001483136446 941902693 /nfs/dbraw/zinc/90/26/93/941902693.db2.gz SBSLWFHCBMVZER-HIFRSBDPSA-N 2 2 303.410 0.112 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074241 943136406 /nfs/dbraw/zinc/13/64/06/943136406.db2.gz QLGLIXZCJUDWNW-CZUORRHYSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074241 943136419 /nfs/dbraw/zinc/13/64/19/943136419.db2.gz QLGLIXZCJUDWNW-CZUORRHYSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074239 943136633 /nfs/dbraw/zinc/13/66/33/943136633.db2.gz QLGLIXZCJUDWNW-BBRMVZONSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074239 943136635 /nfs/dbraw/zinc/13/66/35/943136635.db2.gz QLGLIXZCJUDWNW-BBRMVZONSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001485162384 943731859 /nfs/dbraw/zinc/73/18/59/943731859.db2.gz KCRAZEDGHQJFAI-UONOGXRCSA-N 2 2 319.405 0.765 20 30 DCEDLP COCC#CC[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001485518175 943979869 /nfs/dbraw/zinc/97/98/69/943979869.db2.gz OWHRMPGFNOBMHG-CQSZACIVSA-N 2 2 304.394 0.360 20 30 DCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001485688012 944082549 /nfs/dbraw/zinc/08/25/49/944082549.db2.gz VCWCNFXVGDTSAB-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001485715618 944094277 /nfs/dbraw/zinc/09/42/77/944094277.db2.gz CIRKBXOHKIKPMG-QWHCGFSZSA-N 2 2 303.834 0.944 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593719 944226362 /nfs/dbraw/zinc/22/63/62/944226362.db2.gz OUMBXEPETBQZLK-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593719 944226366 /nfs/dbraw/zinc/22/63/66/944226366.db2.gz OUMBXEPETBQZLK-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593719 944226371 /nfs/dbraw/zinc/22/63/71/944226371.db2.gz OUMBXEPETBQZLK-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC001276593719 944226375 /nfs/dbraw/zinc/22/63/75/944226375.db2.gz OUMBXEPETBQZLK-CVEARBPZSA-N 2 2 321.465 0.947 20 30 DCEDLP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272867727 944290250 /nfs/dbraw/zinc/29/02/50/944290250.db2.gz ANDYUDBDMWWAIF-OAHLLOKOSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272867727 944290261 /nfs/dbraw/zinc/29/02/61/944290261.db2.gz ANDYUDBDMWWAIF-OAHLLOKOSA-N 2 2 306.410 0.975 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOC(C)C ZINC001276866797 944335102 /nfs/dbraw/zinc/33/51/02/944335102.db2.gz HIUCSILZXYZUBG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOC(C)C ZINC001276866797 944335110 /nfs/dbraw/zinc/33/51/10/944335110.db2.gz HIUCSILZXYZUBG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOC(C)C ZINC001276866797 944335118 /nfs/dbraw/zinc/33/51/18/944335118.db2.gz HIUCSILZXYZUBG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOC(C)C ZINC001276866797 944335126 /nfs/dbraw/zinc/33/51/26/944335126.db2.gz HIUCSILZXYZUBG-CVEARBPZSA-N 2 2 307.438 0.700 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001486118982 944578011 /nfs/dbraw/zinc/57/80/11/944578011.db2.gz RYUZWLBUCWFUFR-CABCVRRESA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001277844721 945004219 /nfs/dbraw/zinc/00/42/19/945004219.db2.gz IOWXMZPZAPJNBO-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001277844721 945004232 /nfs/dbraw/zinc/00/42/32/945004232.db2.gz IOWXMZPZAPJNBO-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C=CCOCc1nn([C@H]2C[NH2+][C@H](C(=O)OC)C2)c2c1C[NH2+]C2 ZINC001246701367 945465125 /nfs/dbraw/zinc/46/51/25/945465125.db2.gz MAWWNPNPVGAUNA-PWSUYJOCSA-N 2 2 306.366 0.265 20 30 DCEDLP C[NH+](C)CCN1CC[NH+](Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249082191 945618887 /nfs/dbraw/zinc/61/88/87/945618887.db2.gz KHNGJCNEDLBRQR-UHFFFAOYSA-N 2 2 312.421 0.885 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001319935837 945699118 /nfs/dbraw/zinc/69/91/18/945699118.db2.gz LZTRNSNIIHFSLS-DLBZAZTESA-N 2 2 321.465 0.993 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001319935837 945699122 /nfs/dbraw/zinc/69/91/22/945699122.db2.gz LZTRNSNIIHFSLS-DLBZAZTESA-N 2 2 321.465 0.993 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320257997 945791060 /nfs/dbraw/zinc/79/10/60/945791060.db2.gz KALZIJOINGWJGJ-INIZCTEOSA-N 2 2 312.373 0.576 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCC=C)C1 ZINC001278786356 946395500 /nfs/dbraw/zinc/39/55/00/946395500.db2.gz AXKSXGYYGROVAW-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[NH+](CCC=C)C1 ZINC001278786356 946395507 /nfs/dbraw/zinc/39/55/07/946395507.db2.gz AXKSXGYYGROVAW-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](CCC=C)C1 ZINC001278786356 946395514 /nfs/dbraw/zinc/39/55/14/946395514.db2.gz AXKSXGYYGROVAW-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCC=C)C1 ZINC001278786356 946395523 /nfs/dbraw/zinc/39/55/23/946395523.db2.gz AXKSXGYYGROVAW-DOTOQJQBSA-N 2 2 305.422 0.213 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322307911 946646916 /nfs/dbraw/zinc/64/69/16/946646916.db2.gz SPXPGDSFUPEMKM-CHWSQXEVSA-N 2 2 307.398 0.010 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001322307911 946646924 /nfs/dbraw/zinc/64/69/24/946646924.db2.gz SPXPGDSFUPEMKM-CHWSQXEVSA-N 2 2 307.398 0.010 20 30 DCEDLP C[NH+]1CCN(c2ccc(C=NNC3=[NH+]CCN3)cc2F)CC1 ZINC001326100711 948053388 /nfs/dbraw/zinc/05/33/88/948053388.db2.gz JHYPVMOYYQMVBX-UHFFFAOYSA-N 2 2 304.373 0.460 20 30 DCEDLP C=CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001327596050 948564635 /nfs/dbraw/zinc/56/46/35/948564635.db2.gz QUSGYCHFYPVEDQ-INIZCTEOSA-N 2 2 322.409 0.098 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001280647520 948670208 /nfs/dbraw/zinc/67/02/08/948670208.db2.gz FJIOWSAFGSCYJG-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001280647520 948670211 /nfs/dbraw/zinc/67/02/11/948670211.db2.gz FJIOWSAFGSCYJG-ZFWWWQNUSA-N 2 2 304.394 0.429 20 30 DCEDLP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001264076273 948864610 /nfs/dbraw/zinc/86/46/10/948864610.db2.gz BQMKBJNFVCUWCQ-HNNXBMFYSA-N 2 2 306.410 0.814 20 30 DCEDLP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001264076273 948864630 /nfs/dbraw/zinc/86/46/30/948864630.db2.gz BQMKBJNFVCUWCQ-HNNXBMFYSA-N 2 2 306.410 0.814 20 30 DCEDLP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001264076273 948864649 /nfs/dbraw/zinc/86/46/49/948864649.db2.gz BQMKBJNFVCUWCQ-HNNXBMFYSA-N 2 2 306.410 0.814 20 30 DCEDLP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001264076273 948864658 /nfs/dbraw/zinc/86/46/58/948864658.db2.gz BQMKBJNFVCUWCQ-HNNXBMFYSA-N 2 2 306.410 0.814 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328784437 949092474 /nfs/dbraw/zinc/09/24/74/949092474.db2.gz CKPOIHXGWOERHO-HNNXBMFYSA-N 2 2 318.421 0.833 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001328784437 949092489 /nfs/dbraw/zinc/09/24/89/949092489.db2.gz CKPOIHXGWOERHO-HNNXBMFYSA-N 2 2 318.421 0.833 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001488739251 949122496 /nfs/dbraw/zinc/12/24/96/949122496.db2.gz ZOEUMEBNUNWZOC-OKILXGFUSA-N 2 2 300.406 0.880 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCCC=C)C1 ZINC001329669626 949769104 /nfs/dbraw/zinc/76/91/04/949769104.db2.gz YVYCTTDBUDSULI-INIZCTEOSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCCC=C)C1 ZINC001329669626 949769108 /nfs/dbraw/zinc/76/91/08/949769108.db2.gz YVYCTTDBUDSULI-INIZCTEOSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ocnc1C ZINC001265786669 949943096 /nfs/dbraw/zinc/94/30/96/949943096.db2.gz SHMQPHJSGKKPGZ-JSGCOSHPSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ocnc1C ZINC001265786669 949943113 /nfs/dbraw/zinc/94/31/13/949943113.db2.gz SHMQPHJSGKKPGZ-JSGCOSHPSA-N 2 2 304.394 0.675 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265990534 950236174 /nfs/dbraw/zinc/23/61/74/950236174.db2.gz QRPIAXJSDNVHMV-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265990535 950237711 /nfs/dbraw/zinc/23/77/11/950237711.db2.gz QRPIAXJSDNVHMV-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC(=C)C)CC1 ZINC001490492768 950742643 /nfs/dbraw/zinc/74/26/43/950742643.db2.gz QGXGXTJAVJPDIF-KRWDZBQOSA-N 2 2 318.465 0.394 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](CC(=C)C)CC1 ZINC001490492768 950742654 /nfs/dbraw/zinc/74/26/54/950742654.db2.gz QGXGXTJAVJPDIF-KRWDZBQOSA-N 2 2 318.465 0.394 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001490560616 950870292 /nfs/dbraw/zinc/87/02/92/950870292.db2.gz HFJWUSQXIRSMOE-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001490560616 950870305 /nfs/dbraw/zinc/87/03/05/950870305.db2.gz HFJWUSQXIRSMOE-HUUCEWRRSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC001331285161 951057294 /nfs/dbraw/zinc/05/72/94/951057294.db2.gz PVFFZPQLJSNUOF-AWEZNQCLSA-N 2 2 301.394 0.890 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC001331285161 951057309 /nfs/dbraw/zinc/05/73/09/951057309.db2.gz PVFFZPQLJSNUOF-AWEZNQCLSA-N 2 2 301.394 0.890 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C ZINC001274279718 951534197 /nfs/dbraw/zinc/53/41/97/951534197.db2.gz HMJLKMAAHNMPAQ-KBPBESRZSA-N 2 2 318.421 0.774 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001332529907 951683728 /nfs/dbraw/zinc/68/37/28/951683728.db2.gz QZYLLGXYNKFKKC-GJZGRUSLSA-N 2 2 320.437 0.821 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001274843399 951854908 /nfs/dbraw/zinc/85/49/08/951854908.db2.gz OXTQZGYSBQXGQC-GFCCVEGCSA-N 2 2 315.377 0.344 20 30 DCEDLP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001333251564 951972915 /nfs/dbraw/zinc/97/29/15/951972915.db2.gz VLKMDLNIXONZHR-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001340221402 953155000 /nfs/dbraw/zinc/15/50/00/953155000.db2.gz DDZIWCVPACEDPB-ZBFHGGJFSA-N 3 2 308.470 0.955 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001340221402 953155002 /nfs/dbraw/zinc/15/50/02/953155002.db2.gz DDZIWCVPACEDPB-ZBFHGGJFSA-N 3 2 308.470 0.955 20 30 DCEDLP C#CC[NH2+]CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001340239803 953156719 /nfs/dbraw/zinc/15/67/19/953156719.db2.gz CAUMXWLRNJBAFG-UHFFFAOYSA-N 2 2 300.406 0.595 20 30 DCEDLP C#CC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001340239803 953156722 /nfs/dbraw/zinc/15/67/22/953156722.db2.gz CAUMXWLRNJBAFG-UHFFFAOYSA-N 2 2 300.406 0.595 20 30 DCEDLP C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[NH+](CC)CC1 ZINC001340396108 953166539 /nfs/dbraw/zinc/16/65/39/953166539.db2.gz YTCSHWGMXDUCMA-GFCCVEGCSA-N 2 2 320.397 0.091 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC)CC1(C)C ZINC001282810378 953683645 /nfs/dbraw/zinc/68/36/45/953683645.db2.gz IRESXBLBBUOSTB-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC)CC1(C)C ZINC001282810378 953683651 /nfs/dbraw/zinc/68/36/51/953683651.db2.gz IRESXBLBBUOSTB-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC)CC1(C)C ZINC001282810378 953683660 /nfs/dbraw/zinc/68/36/60/953683660.db2.gz IRESXBLBBUOSTB-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCOCC)CC1(C)C ZINC001282810378 953683667 /nfs/dbraw/zinc/68/36/67/953683667.db2.gz IRESXBLBBUOSTB-JKSUJKDBSA-N 2 2 321.465 0.947 20 30 DCEDLP C[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522686 954332018 /nfs/dbraw/zinc/33/20/18/954332018.db2.gz NIJWBZLKMVBQJD-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522686 954332028 /nfs/dbraw/zinc/33/20/28/954332028.db2.gz NIJWBZLKMVBQJD-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522686 954332033 /nfs/dbraw/zinc/33/20/33/954332033.db2.gz NIJWBZLKMVBQJD-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)Cc1cccc(C#N)c1 ZINC001366522686 954332041 /nfs/dbraw/zinc/33/20/41/954332041.db2.gz NIJWBZLKMVBQJD-MRXNPFEDSA-N 2 2 316.405 0.437 20 30 DCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283506671 954406671 /nfs/dbraw/zinc/40/66/71/954406671.db2.gz IJVHIKOHFYWLEP-LSDHHAIUSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC001353809503 956194595 /nfs/dbraw/zinc/19/45/95/956194595.db2.gz RHKFVWXXTHWGIU-KBPBESRZSA-N 2 2 311.426 0.766 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001373159407 968770518 /nfs/dbraw/zinc/77/05/18/968770518.db2.gz YJYHXCUHTWQTKJ-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001373159407 968770526 /nfs/dbraw/zinc/77/05/26/968770526.db2.gz YJYHXCUHTWQTKJ-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373159407 968770533 /nfs/dbraw/zinc/77/05/33/968770533.db2.gz YJYHXCUHTWQTKJ-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001373159407 968770539 /nfs/dbraw/zinc/77/05/39/968770539.db2.gz YJYHXCUHTWQTKJ-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=CCC[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001505385673 1016203091 /nfs/dbraw/zinc/20/30/91/1016203091.db2.gz VDMSXHOVZYRAGH-UHFFFAOYSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CC[N@@H+](C)CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001507862599 1016587350 /nfs/dbraw/zinc/58/73/50/1016587350.db2.gz HWMXHZDPKJJMLD-INIZCTEOSA-N 2 2 309.454 0.757 20 30 DCEDLP C#CC[N@H+](C)CCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C(C)C ZINC001507862599 1016587360 /nfs/dbraw/zinc/58/73/60/1016587360.db2.gz HWMXHZDPKJJMLD-INIZCTEOSA-N 2 2 309.454 0.757 20 30 DCEDLP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001439184050 1006552082 /nfs/dbraw/zinc/55/20/82/1006552082.db2.gz GPUGQSFXVZYJGG-SNVBAGLBSA-N 2 2 301.188 0.886 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001422344342 1009920005 /nfs/dbraw/zinc/92/00/05/1009920005.db2.gz JISSLDHAJNNJEJ-AAEUAGOBSA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423742099 1011468415 /nfs/dbraw/zinc/46/84/15/1011468415.db2.gz IOBZIPYNERZIIY-JSGCOSHPSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423742099 1011468418 /nfs/dbraw/zinc/46/84/18/1011468418.db2.gz IOBZIPYNERZIIY-JSGCOSHPSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423742099 1011468426 /nfs/dbraw/zinc/46/84/26/1011468426.db2.gz IOBZIPYNERZIIY-JSGCOSHPSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001423742099 1011468434 /nfs/dbraw/zinc/46/84/34/1011468434.db2.gz IOBZIPYNERZIIY-JSGCOSHPSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001423763094 1011507039 /nfs/dbraw/zinc/50/70/39/1011507039.db2.gz VOXJBJYHQGEKGZ-CQSZACIVSA-N 2 2 315.845 0.776 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001423763094 1011507043 /nfs/dbraw/zinc/50/70/43/1011507043.db2.gz VOXJBJYHQGEKGZ-CQSZACIVSA-N 2 2 315.845 0.776 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001445260022 1011588412 /nfs/dbraw/zinc/58/84/12/1011588412.db2.gz UMPBUVQZRGDKFU-LLVKDONJSA-N 2 2 319.390 0.152 20 30 DCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001506887529 1017642366 /nfs/dbraw/zinc/64/23/66/1017642366.db2.gz MYDJEMFJADGOFW-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001497663670 1018318808 /nfs/dbraw/zinc/31/88/08/1018318808.db2.gz YUAMAOWQDFNFAY-JFDDCEBESA-N 2 2 305.422 0.525 20 30 DCEDLP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001497663670 1018318822 /nfs/dbraw/zinc/31/88/22/1018318822.db2.gz YUAMAOWQDFNFAY-JFDDCEBESA-N 2 2 305.422 0.525 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001497840749 1018460839 /nfs/dbraw/zinc/46/08/39/1018460839.db2.gz QMDRGONMFPZVCU-KGLIPLIRSA-N 2 2 306.410 0.742 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H](OCC)C23CCC3)CC1 ZINC000491376217 241122290 /nfs/dbraw/zinc/12/22/90/241122290.db2.gz ZDMAVUINQGDMAZ-JKSUJKDBSA-N 2 2 319.449 0.701 20 30 DCEDLP COCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000171946449 533033421 /nfs/dbraw/zinc/03/34/21/533033421.db2.gz HFGPSGRXUHDZOV-UHFFFAOYSA-N 2 2 307.394 0.927 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000491372670 533102798 /nfs/dbraw/zinc/10/27/98/533102798.db2.gz KKVCEZKOZXNQOC-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000491372670 533102804 /nfs/dbraw/zinc/10/28/04/533102804.db2.gz KKVCEZKOZXNQOC-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000491372670 533102812 /nfs/dbraw/zinc/10/28/12/533102812.db2.gz KKVCEZKOZXNQOC-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000491372670 533102816 /nfs/dbraw/zinc/10/28/16/533102816.db2.gz KKVCEZKOZXNQOC-HNNXBMFYSA-N 2 2 310.442 0.352 20 30 DCEDLP COCCNC(=[NH2+])NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000161503509 533340266 /nfs/dbraw/zinc/34/02/66/533340266.db2.gz ZDPSNQUSYLLDCM-OAHLLOKOSA-N 2 2 319.453 0.748 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1cnn(C)c1 ZINC000087222906 395705909 /nfs/dbraw/zinc/70/59/09/395705909.db2.gz YDICHTUYKLMOPV-UHFFFAOYSA-N 2 2 318.429 0.427 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](COC)C1 ZINC000088237305 395707406 /nfs/dbraw/zinc/70/74/06/395707406.db2.gz AXFXBNNOIYIFEI-GFCCVEGCSA-N 2 2 308.430 0.530 20 30 DCEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926647 395716326 /nfs/dbraw/zinc/71/63/26/395716326.db2.gz SJQVUSRRPDTFME-UHFFFAOYSA-N 2 2 304.398 0.304 20 30 DCEDLP CC1(C)CC[N@H+](CC(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000581318863 396545481 /nfs/dbraw/zinc/54/54/81/396545481.db2.gz KISYDYPQFKSJPB-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP CC1(C)CC[N@@H+](CC(=O)N(CCC#N)CC[NH+]2CCOCC2)C1 ZINC000581318863 396545484 /nfs/dbraw/zinc/54/54/84/396545484.db2.gz KISYDYPQFKSJPB-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H](CC#N)C1)[NH+]1CCOCC1 ZINC000595608998 396638415 /nfs/dbraw/zinc/63/84/15/396638415.db2.gz DMPFLCRIYPITTK-OAHLLOKOSA-N 2 2 322.453 0.839 20 30 DCEDLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H](CC#N)C1)[NH+]1CCOCC1 ZINC000595608998 396638419 /nfs/dbraw/zinc/63/84/19/396638419.db2.gz DMPFLCRIYPITTK-OAHLLOKOSA-N 2 2 322.453 0.839 20 30 DCEDLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000591361305 396910472 /nfs/dbraw/zinc/91/04/72/396910472.db2.gz SLAVAYXSTSCFOB-CYBMUJFWSA-N 2 2 301.394 0.733 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)CC1 ZINC000491181744 397501199 /nfs/dbraw/zinc/50/11/99/397501199.db2.gz VPQUMYDBHSSJMS-SJORKVTESA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)CC1 ZINC000491181744 397501201 /nfs/dbraw/zinc/50/12/01/397501201.db2.gz VPQUMYDBHSSJMS-SJORKVTESA-N 2 2 321.465 0.779 20 30 DCEDLP COCC[N@H+](C)CCNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000103338616 415618064 /nfs/dbraw/zinc/61/80/64/415618064.db2.gz VZXUTGHWZPMQNH-UHFFFAOYSA-N 2 2 308.426 0.720 20 30 DCEDLP COCC[N@@H+](C)CCNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000103338616 415618069 /nfs/dbraw/zinc/61/80/69/415618069.db2.gz VZXUTGHWZPMQNH-UHFFFAOYSA-N 2 2 308.426 0.720 20 30 DCEDLP C#CCNC(=O)CC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000293717602 415860775 /nfs/dbraw/zinc/86/07/75/415860775.db2.gz FHRJHEZESVAEDP-UHFFFAOYSA-N 2 2 308.451 0.625 20 30 DCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000329353342 416166135 /nfs/dbraw/zinc/16/61/35/416166135.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 2 309.458 0.363 20 30 DCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000329353342 416166138 /nfs/dbraw/zinc/16/61/38/416166138.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 2 309.458 0.363 20 30 DCEDLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000329353342 416166139 /nfs/dbraw/zinc/16/61/39/416166139.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 2 309.458 0.363 20 30 DCEDLP CN1CC[NH+](C)[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000329353342 416166141 /nfs/dbraw/zinc/16/61/41/416166141.db2.gz GANDWVBVXYEQEW-KFWWJZLASA-N 2 2 309.458 0.363 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000329735390 416187796 /nfs/dbraw/zinc/18/77/96/416187796.db2.gz KYSZEGOZDYLMTR-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000329735390 416187797 /nfs/dbraw/zinc/18/77/97/416187797.db2.gz KYSZEGOZDYLMTR-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000329735390 416187803 /nfs/dbraw/zinc/18/78/03/416187803.db2.gz KYSZEGOZDYLMTR-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000329735390 416187806 /nfs/dbraw/zinc/18/78/06/416187806.db2.gz KYSZEGOZDYLMTR-FRRDWIJNSA-N 2 2 321.425 0.568 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261769850 416335767 /nfs/dbraw/zinc/33/57/67/416335767.db2.gz NWWNTBJMRNYLDC-SWLSCSKDSA-N 3 2 304.442 0.839 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261769850 416335768 /nfs/dbraw/zinc/33/57/68/416335768.db2.gz NWWNTBJMRNYLDC-SWLSCSKDSA-N 3 2 304.442 0.839 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(CO)CC(C)C)CC1 ZINC000490740215 416572699 /nfs/dbraw/zinc/57/26/99/416572699.db2.gz JMBWLEGJQUSLHQ-SFHVURJKSA-N 2 2 321.465 0.637 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(CO)CC(C)C)CC1 ZINC000490740215 416572703 /nfs/dbraw/zinc/57/27/03/416572703.db2.gz JMBWLEGJQUSLHQ-SFHVURJKSA-N 2 2 321.465 0.637 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000490780630 416574063 /nfs/dbraw/zinc/57/40/63/416574063.db2.gz NAPKBHHJKLBXHQ-KRWDZBQOSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000490780630 416574066 /nfs/dbraw/zinc/57/40/66/416574066.db2.gz NAPKBHHJKLBXHQ-KRWDZBQOSA-N 2 2 318.465 0.182 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000490866081 416577635 /nfs/dbraw/zinc/57/76/35/416577635.db2.gz LUVMIGKCTLNIQQ-JKSUJKDBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000490866081 416577638 /nfs/dbraw/zinc/57/76/38/416577638.db2.gz LUVMIGKCTLNIQQ-JKSUJKDBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000491126081 416586853 /nfs/dbraw/zinc/58/68/53/416586853.db2.gz KLEGFIJVDTXWOR-ZDUSSCGKSA-N 2 2 315.364 0.325 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000491126081 416586855 /nfs/dbraw/zinc/58/68/55/416586855.db2.gz KLEGFIJVDTXWOR-ZDUSSCGKSA-N 2 2 315.364 0.325 20 30 DCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000424152258 416618108 /nfs/dbraw/zinc/61/81/08/416618108.db2.gz JFDRSIONXJZDMH-OAHLLOKOSA-N 2 2 301.394 0.747 20 30 DCEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000566607933 417052550 /nfs/dbraw/zinc/05/25/50/417052550.db2.gz GLYQULOGKCHNSA-HOTGVXAUSA-N 2 2 312.458 0.139 20 30 DCEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000566607933 417052554 /nfs/dbraw/zinc/05/25/54/417052554.db2.gz GLYQULOGKCHNSA-HOTGVXAUSA-N 2 2 312.458 0.139 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576169209 417585782 /nfs/dbraw/zinc/58/57/82/417585782.db2.gz BIHHGLJJLIJFLW-RYUDHWBXSA-N 2 2 305.382 0.610 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000576169209 417585789 /nfs/dbraw/zinc/58/57/89/417585789.db2.gz BIHHGLJJLIJFLW-RYUDHWBXSA-N 2 2 305.382 0.610 20 30 DCEDLP CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645294738 417726924 /nfs/dbraw/zinc/72/69/24/417726924.db2.gz JSAUKCTXICZNQD-LSDHHAIUSA-N 2 2 322.453 0.228 20 30 DCEDLP CC#CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645294738 417726929 /nfs/dbraw/zinc/72/69/29/417726929.db2.gz JSAUKCTXICZNQD-LSDHHAIUSA-N 2 2 322.453 0.228 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648316287 418126002 /nfs/dbraw/zinc/12/60/02/418126002.db2.gz YMVDHVDPPGRMCO-BMFZPTHFSA-N 2 2 307.438 0.862 20 30 DCEDLP C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648316287 418126004 /nfs/dbraw/zinc/12/60/04/418126004.db2.gz YMVDHVDPPGRMCO-BMFZPTHFSA-N 2 2 307.438 0.862 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660707087 418283102 /nfs/dbraw/zinc/28/31/02/418283102.db2.gz LSNSFNTVRWFFGO-MRXNPFEDSA-N 2 2 322.453 0.753 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476763 418262455 /nfs/dbraw/zinc/26/24/55/418262455.db2.gz FKSLHVWRQFGHNI-HOTGVXAUSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476763 418262457 /nfs/dbraw/zinc/26/24/57/418262457.db2.gz FKSLHVWRQFGHNI-HOTGVXAUSA-N 2 2 307.438 0.960 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000491764532 339879332 /nfs/dbraw/zinc/87/93/32/339879332.db2.gz ANXXTXYCGHQCPJ-CVEARBPZSA-N 2 2 321.465 0.946 20 30 DCEDLP C[NH+]=C(NCCc1csc(C)n1)NC[C@@H]1C[N@H+](C)CCO1 ZINC000262539092 526365307 /nfs/dbraw/zinc/36/53/07/526365307.db2.gz ROJOCGAILWLBDF-CYBMUJFWSA-N 2 2 311.455 0.490 20 30 DCEDLP C[NH+]=C(NCCc1csc(C)n1)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000262539092 526365312 /nfs/dbraw/zinc/36/53/12/526365312.db2.gz ROJOCGAILWLBDF-CYBMUJFWSA-N 2 2 311.455 0.490 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000283859871 526419423 /nfs/dbraw/zinc/41/94/23/526419423.db2.gz KOKCIUZQZOKMAG-CYBMUJFWSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825617 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C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591709 666506045 /nfs/dbraw/zinc/50/60/45/666506045.db2.gz UFCCXUSFRJWRKV-OLZOCXBDSA-N 2 2 315.845 0.896 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033868834 666851901 /nfs/dbraw/zinc/85/19/01/666851901.db2.gz JPEDWLZUXXBCIL-BZUAXINKSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033868834 666851903 /nfs/dbraw/zinc/85/19/03/666851903.db2.gz JPEDWLZUXXBCIL-BZUAXINKSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033868834 666851905 /nfs/dbraw/zinc/85/19/05/666851905.db2.gz JPEDWLZUXXBCIL-BZUAXINKSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033868834 666851906 /nfs/dbraw/zinc/85/19/06/666851906.db2.gz JPEDWLZUXXBCIL-BZUAXINKSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034248979 666962058 /nfs/dbraw/zinc/96/20/58/666962058.db2.gz FTPVZJWYKLSFOF-HOTGVXAUSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034248979 666962061 /nfs/dbraw/zinc/96/20/61/666962061.db2.gz FTPVZJWYKLSFOF-HOTGVXAUSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034248979 666962063 /nfs/dbraw/zinc/96/20/63/666962063.db2.gz FTPVZJWYKLSFOF-HOTGVXAUSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034248979 666962067 /nfs/dbraw/zinc/96/20/67/666962067.db2.gz FTPVZJWYKLSFOF-HOTGVXAUSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@@H+](CCOC)C1 ZINC001034250852 666963163 /nfs/dbraw/zinc/96/31/63/666963163.db2.gz XNQDLOALXVTGGZ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCC[N@H+](CCOC)C1 ZINC001034250852 666963165 /nfs/dbraw/zinc/96/31/65/666963165.db2.gz XNQDLOALXVTGGZ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCOC)C1 ZINC001034250852 666963168 /nfs/dbraw/zinc/96/31/68/666963168.db2.gz XNQDLOALXVTGGZ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCOC)C1 ZINC001034250852 666963171 /nfs/dbraw/zinc/96/31/71/666963171.db2.gz XNQDLOALXVTGGZ-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000921555596 667227038 /nfs/dbraw/zinc/22/70/38/667227038.db2.gz PSPPWYALUHDTIM-DZGCQCFKSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000921555596 667227039 /nfs/dbraw/zinc/22/70/39/667227039.db2.gz PSPPWYALUHDTIM-DZGCQCFKSA-N 2 2 308.426 0.102 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000884204407 667497478 /nfs/dbraw/zinc/49/74/78/667497478.db2.gz VBGTUHUDLPNBTR-CVEARBPZSA-N 2 2 322.453 0.352 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000884204407 667497479 /nfs/dbraw/zinc/49/74/79/667497479.db2.gz VBGTUHUDLPNBTR-CVEARBPZSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCC[C@@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000923368196 667517779 /nfs/dbraw/zinc/51/77/79/667517779.db2.gz NFBNTWCKUAOEHJ-CQSZACIVSA-N 2 2 305.426 0.888 20 30 DCEDLP C=CCC[C@H](O)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000923368195 667517842 /nfs/dbraw/zinc/51/78/42/667517842.db2.gz NFBNTWCKUAOEHJ-AWEZNQCLSA-N 2 2 305.426 0.888 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000884422074 667542106 /nfs/dbraw/zinc/54/21/06/667542106.db2.gz LXXPYLZWOPOVPQ-CABCVRRESA-N 2 2 323.437 0.671 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000884422074 667542109 /nfs/dbraw/zinc/54/21/09/667542109.db2.gz LXXPYLZWOPOVPQ-CABCVRRESA-N 2 2 323.437 0.671 20 30 DCEDLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886081335 667729823 /nfs/dbraw/zinc/72/98/23/667729823.db2.gz MIHUOCZQYRIXNN-CQSZACIVSA-N 2 2 303.410 0.987 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000890365310 668121734 /nfs/dbraw/zinc/12/17/34/668121734.db2.gz SJXHAWRFGJGQEX-JKSUJKDBSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000890365310 668121738 /nfs/dbraw/zinc/12/17/38/668121738.db2.gz SJXHAWRFGJGQEX-JKSUJKDBSA-N 2 2 322.453 0.446 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000890378088 668124762 /nfs/dbraw/zinc/12/47/62/668124762.db2.gz UHEPJABIEPHCTJ-OAHLLOKOSA-N 2 2 308.426 0.058 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000890378088 668124764 /nfs/dbraw/zinc/12/47/64/668124764.db2.gz UHEPJABIEPHCTJ-OAHLLOKOSA-N 2 2 308.426 0.058 20 30 DCEDLP CN(C)c1cc[nH+]cc1C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000759153169 668208375 /nfs/dbraw/zinc/20/83/75/668208375.db2.gz FDIZTIMAVVSMRY-NXVVXOECSA-N 2 2 315.377 0.764 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000875622982 668352872 /nfs/dbraw/zinc/35/28/72/668352872.db2.gz NBUYNHHVISBDLR-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000875622982 668352876 /nfs/dbraw/zinc/35/28/76/668352876.db2.gz NBUYNHHVISBDLR-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000875622982 668352878 /nfs/dbraw/zinc/35/28/78/668352878.db2.gz NBUYNHHVISBDLR-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000875622982 668352881 /nfs/dbraw/zinc/35/28/81/668352881.db2.gz NBUYNHHVISBDLR-OAHLLOKOSA-N 2 2 310.442 0.352 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)CC1 ZINC000928650134 668611483 /nfs/dbraw/zinc/61/14/83/668611483.db2.gz ZFSWZZXQUTWXMF-UHFFFAOYSA-N 2 2 320.481 0.616 20 30 DCEDLP C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000858238219 670983682 /nfs/dbraw/zinc/98/36/82/670983682.db2.gz HDJSWOQPFNGDEG-LSDHHAIUSA-N 2 2 322.453 0.492 20 30 DCEDLP C#CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000858238219 670983685 /nfs/dbraw/zinc/98/36/85/670983685.db2.gz HDJSWOQPFNGDEG-LSDHHAIUSA-N 2 2 322.453 0.492 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303773985 685207257 /nfs/dbraw/zinc/20/72/57/685207257.db2.gz FQOQLJTZVGSTJF-RWMBFGLXSA-N 2 2 300.447 0.813 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000303773985 685207260 /nfs/dbraw/zinc/20/72/60/685207260.db2.gz FQOQLJTZVGSTJF-RWMBFGLXSA-N 2 2 300.447 0.813 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958258871 687488859 /nfs/dbraw/zinc/48/88/59/687488859.db2.gz WMPQIIWOKZLRLM-UKRRQHHQSA-N 2 2 314.389 0.933 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958258871 687488865 /nfs/dbraw/zinc/48/88/65/687488865.db2.gz WMPQIIWOKZLRLM-UKRRQHHQSA-N 2 2 314.389 0.933 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000958558513 687745404 /nfs/dbraw/zinc/74/54/04/687745404.db2.gz IHZXGALVKWOUFV-WBVHZDCISA-N 2 2 324.384 0.528 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000958558513 687745411 /nfs/dbraw/zinc/74/54/11/687745411.db2.gz IHZXGALVKWOUFV-WBVHZDCISA-N 2 2 324.384 0.528 20 30 DCEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000963015274 689003677 /nfs/dbraw/zinc/00/36/77/689003677.db2.gz GMMFVUFMIOLBSV-DZFIZOCASA-N 2 2 320.396 0.981 20 30 DCEDLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000963015274 689003681 /nfs/dbraw/zinc/00/36/81/689003681.db2.gz GMMFVUFMIOLBSV-DZFIZOCASA-N 2 2 320.396 0.981 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452013 694366228 /nfs/dbraw/zinc/36/62/28/694366228.db2.gz AOQKPBAPVSVFKL-CVEARBPZSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452013 694366231 /nfs/dbraw/zinc/36/62/31/694366231.db2.gz AOQKPBAPVSVFKL-CVEARBPZSA-N 2 2 305.422 0.407 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016253432 692618634 /nfs/dbraw/zinc/61/86/34/692618634.db2.gz ZLEXWEPKSDSEMY-HUUCEWRRSA-N 2 2 320.437 0.060 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001016253432 692618637 /nfs/dbraw/zinc/61/86/37/692618637.db2.gz ZLEXWEPKSDSEMY-HUUCEWRRSA-N 2 2 320.437 0.060 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001018285726 693078525 /nfs/dbraw/zinc/07/85/25/693078525.db2.gz OWFPYPFQMCQUKQ-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001018285726 693078528 /nfs/dbraw/zinc/07/85/28/693078528.db2.gz OWFPYPFQMCQUKQ-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018285726 693078531 /nfs/dbraw/zinc/07/85/31/693078531.db2.gz OWFPYPFQMCQUKQ-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018285726 693078534 /nfs/dbraw/zinc/07/85/34/693078534.db2.gz OWFPYPFQMCQUKQ-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073749042 694776670 /nfs/dbraw/zinc/77/66/70/694776670.db2.gz OFUHYRUDXZERFF-HNNXBMFYSA-N 2 2 319.405 0.795 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073749042 694776672 /nfs/dbraw/zinc/77/66/72/694776672.db2.gz OFUHYRUDXZERFF-HNNXBMFYSA-N 2 2 319.405 0.795 20 30 DCEDLP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001570564781 1162546115 /nfs/dbraw/zinc/54/61/15/1162546115.db2.gz KFHFSIFERCOZKJ-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001571353295 1162715078 /nfs/dbraw/zinc/71/50/78/1162715078.db2.gz UORHUAIGPHMZFN-OAHLLOKOSA-N 2 2 318.421 0.581 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001571549064 1162804475 /nfs/dbraw/zinc/80/44/75/1162804475.db2.gz XBVGXMPWCNZGJA-CABCVRRESA-N 2 2 318.421 0.785 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCOC)C(C)(C)C ZINC001571626146 1162866757 /nfs/dbraw/zinc/86/67/57/1162866757.db2.gz RTVVSAIPUNJKES-LSDHHAIUSA-N 2 2 309.454 0.851 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCOC)C(C)(C)C ZINC001571626146 1162866766 /nfs/dbraw/zinc/86/67/66/1162866766.db2.gz RTVVSAIPUNJKES-LSDHHAIUSA-N 2 2 309.454 0.851 20 30 DCEDLP C[NH+](C)CCCC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001671603624 1157500301 /nfs/dbraw/zinc/50/03/01/1157500301.db2.gz SIBFPCNQGFYHJD-HNNXBMFYSA-N 2 2 307.442 0.070 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691416115 1157667726 /nfs/dbraw/zinc/66/77/26/1157667726.db2.gz DGRWRPRVHWUEBR-LSDHHAIUSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691416115 1157667731 /nfs/dbraw/zinc/66/77/31/1157667731.db2.gz DGRWRPRVHWUEBR-LSDHHAIUSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691416115 1157667734 /nfs/dbraw/zinc/66/77/34/1157667734.db2.gz DGRWRPRVHWUEBR-LSDHHAIUSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691416115 1157667737 /nfs/dbraw/zinc/66/77/37/1157667737.db2.gz DGRWRPRVHWUEBR-LSDHHAIUSA-N 2 2 324.469 0.550 20 30 DCEDLP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001566033792 1159949231 /nfs/dbraw/zinc/94/92/31/1159949231.db2.gz BNXBWJRGTIXLAI-HNNXBMFYSA-N 2 2 306.410 0.745 20 30 DCEDLP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001566033792 1159949234 /nfs/dbraw/zinc/94/92/34/1159949234.db2.gz BNXBWJRGTIXLAI-HNNXBMFYSA-N 2 2 306.410 0.745 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001567837067 1160496215 /nfs/dbraw/zinc/49/62/15/1160496215.db2.gz AOLHBKFKFQXQBS-ZFWWWQNUSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001567837067 1160496217 /nfs/dbraw/zinc/49/62/17/1160496217.db2.gz AOLHBKFKFQXQBS-ZFWWWQNUSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295559 1160623349 /nfs/dbraw/zinc/62/33/49/1160623349.db2.gz XXARJTFOLLCNCX-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001568295559 1160623353 /nfs/dbraw/zinc/62/33/53/1160623353.db2.gz XXARJTFOLLCNCX-ZBFHGGJFSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001568370825 1160636791 /nfs/dbraw/zinc/63/67/91/1160636791.db2.gz VWQAIHWBTQSSKF-QWHCGFSZSA-N 2 2 319.409 0.081 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568559696 1160682698 /nfs/dbraw/zinc/68/26/98/1160682698.db2.gz KTYQCLKDICMYBL-AWEZNQCLSA-N 2 2 300.362 0.346 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569760119 1161231481 /nfs/dbraw/zinc/23/14/81/1161231481.db2.gz SJPADTFPUMYFNF-XJKSGUPXSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569760119 1161231483 /nfs/dbraw/zinc/23/14/83/1161231483.db2.gz SJPADTFPUMYFNF-XJKSGUPXSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569760119 1161231485 /nfs/dbraw/zinc/23/14/85/1161231485.db2.gz SJPADTFPUMYFNF-XJKSGUPXSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569760119 1161231487 /nfs/dbraw/zinc/23/14/87/1161231487.db2.gz SJPADTFPUMYFNF-XJKSGUPXSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001569785779 1161247149 /nfs/dbraw/zinc/24/71/49/1161247149.db2.gz UPPFJPUILNTBNM-CABCVRRESA-N 2 2 307.438 0.742 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001569785779 1161247153 /nfs/dbraw/zinc/24/71/53/1161247153.db2.gz UPPFJPUILNTBNM-CABCVRRESA-N 2 2 307.438 0.742 20 30 DCEDLP Cn1c[nH+]cc1C1CCN(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001579984672 1165460663 /nfs/dbraw/zinc/46/06/63/1165460663.db2.gz CSKDBHWSBQDLQB-QWHCGFSZSA-N 2 2 302.382 0.421 20 30 DCEDLP COCC#CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001660798336 1174051772 /nfs/dbraw/zinc/05/17/72/1174051772.db2.gz VIZDUTGLHVJPTM-UHFFFAOYSA-N 2 2 304.394 0.456 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001660855444 1174057827 /nfs/dbraw/zinc/05/78/27/1174057827.db2.gz ISCHTBQTAJFPNF-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001660855444 1174057832 /nfs/dbraw/zinc/05/78/32/1174057832.db2.gz ISCHTBQTAJFPNF-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001663552687 1174319724 /nfs/dbraw/zinc/31/97/24/1174319724.db2.gz NFCOMWLLFNOSRA-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001663552687 1174319726 /nfs/dbraw/zinc/31/97/26/1174319726.db2.gz NFCOMWLLFNOSRA-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001665425305 1174519288 /nfs/dbraw/zinc/51/92/88/1174519288.db2.gz PXUYGPSCEARKIY-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CCC ZINC001665425305 1174519296 /nfs/dbraw/zinc/51/92/96/1174519296.db2.gz PXUYGPSCEARKIY-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCC ZINC001665425305 1174519304 /nfs/dbraw/zinc/51/93/04/1174519304.db2.gz PXUYGPSCEARKIY-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CCC ZINC001665425305 1174519311 /nfs/dbraw/zinc/51/93/11/1174519311.db2.gz PXUYGPSCEARKIY-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@H](CC)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001665849932 1174569052 /nfs/dbraw/zinc/56/90/52/1174569052.db2.gz JTMPPXAMOAVLBF-TZMCWYRMSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001667847629 1174723559 /nfs/dbraw/zinc/72/35/59/1174723559.db2.gz CVKHCFXYMQWJPJ-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001668893991 1174857810 /nfs/dbraw/zinc/85/78/10/1174857810.db2.gz PLEGKTMTHGBPNE-XYBNCVKDSA-N 2 2 316.405 0.357 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001672014093 1175063105 /nfs/dbraw/zinc/06/31/05/1175063105.db2.gz XBUIUAVBQQRHKP-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001672014093 1175063107 /nfs/dbraw/zinc/06/31/07/1175063107.db2.gz XBUIUAVBQQRHKP-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001673709728 1175226745 /nfs/dbraw/zinc/22/67/45/1175226745.db2.gz WQANRXHWMFVSCK-INIZCTEOSA-N 2 2 322.409 0.029 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001674080087 1175251738 /nfs/dbraw/zinc/25/17/38/1175251738.db2.gz BTISEULZHWOFGD-ZIAGYGMSSA-N 2 2 316.405 0.480 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001674080087 1175251741 /nfs/dbraw/zinc/25/17/41/1175251741.db2.gz BTISEULZHWOFGD-ZIAGYGMSSA-N 2 2 316.405 0.480 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001676550534 1175460628 /nfs/dbraw/zinc/46/06/28/1175460628.db2.gz XFMWKPJNBJGUEI-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001687783874 1176289636 /nfs/dbraw/zinc/28/96/36/1176289636.db2.gz NRBAXNBJBZIDIT-PMPSAXMXSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001687783874 1176289639 /nfs/dbraw/zinc/28/96/39/1176289639.db2.gz NRBAXNBJBZIDIT-PMPSAXMXSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001687783874 1176289644 /nfs/dbraw/zinc/28/96/44/1176289644.db2.gz NRBAXNBJBZIDIT-PMPSAXMXSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001687783874 1176289648 /nfs/dbraw/zinc/28/96/48/1176289648.db2.gz NRBAXNBJBZIDIT-PMPSAXMXSA-N 2 2 305.422 0.406 20 30 DCEDLP N#CCN1CC[NH+](CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001690080869 1177164712 /nfs/dbraw/zinc/16/47/12/1177164712.db2.gz MKPFXVHCJCSTLL-UHFFFAOYSA-N 2 2 307.442 0.120 20 30 DCEDLP C=CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001691914673 1177382782 /nfs/dbraw/zinc/38/27/82/1177382782.db2.gz SIVJVIXRZJTKHV-UHFFFAOYSA-N 2 2 316.365 0.050 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691912382 1177382932 /nfs/dbraw/zinc/38/29/32/1177382932.db2.gz LOTXYZWRGXOSJQ-CQSZACIVSA-N 2 2 304.394 0.430 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691912382 1177382936 /nfs/dbraw/zinc/38/29/36/1177382936.db2.gz LOTXYZWRGXOSJQ-CQSZACIVSA-N 2 2 304.394 0.430 20 30 DCEDLP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001692315213 1177483415 /nfs/dbraw/zinc/48/34/15/1177483415.db2.gz MWVVWDGKCIMMBT-OAHLLOKOSA-N 2 2 318.421 0.696 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001698633606 1177593668 /nfs/dbraw/zinc/59/36/68/1177593668.db2.gz IUIBHQDBRRCOEA-UHFFFAOYSA-N 2 2 319.409 0.273 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699048884 1177798456 /nfs/dbraw/zinc/79/84/56/1177798456.db2.gz XJZHFHIUVPBVCB-OAHLLOKOSA-N 2 2 320.437 0.795 20 30 DCEDLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001699077424 1177830923 /nfs/dbraw/zinc/83/09/23/1177830923.db2.gz VCRIAMHRGUZTEW-INIZCTEOSA-N 2 2 312.373 0.002 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001700155560 1178503955 /nfs/dbraw/zinc/50/39/55/1178503955.db2.gz FZMCYMJTABHDMK-CQSZACIVSA-N 2 2 312.373 0.788 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001700426785 1178614394 /nfs/dbraw/zinc/61/43/94/1178614394.db2.gz UGPTZPAAPQCEER-WDEREUQCSA-N 2 2 307.398 0.046 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001700884935 1178792770 /nfs/dbraw/zinc/79/27/70/1178792770.db2.gz KYYPNHNZGZLYGH-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001700884935 1178792779 /nfs/dbraw/zinc/79/27/79/1178792779.db2.gz KYYPNHNZGZLYGH-GJZGRUSLSA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C(C)(C)C ZINC001700989251 1178862023 /nfs/dbraw/zinc/86/20/23/1178862023.db2.gz XXXOJBJNZWINTB-GJZGRUSLSA-N 2 2 309.454 0.587 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCO)C(C)(C)C ZINC001700989251 1178862037 /nfs/dbraw/zinc/86/20/37/1178862037.db2.gz XXXOJBJNZWINTB-GJZGRUSLSA-N 2 2 309.454 0.587 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001713597737 1180955020 /nfs/dbraw/zinc/95/50/20/1180955020.db2.gz KYPAJDJRXBWCFU-CQSZACIVSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001713597737 1180955025 /nfs/dbraw/zinc/95/50/25/1180955025.db2.gz KYPAJDJRXBWCFU-CQSZACIVSA-N 2 2 319.409 0.177 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001713994795 1181191445 /nfs/dbraw/zinc/19/14/45/1181191445.db2.gz XODXRDFZMAMMME-XJFOESAGSA-N 2 2 302.378 0.400 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001713994795 1181191447 /nfs/dbraw/zinc/19/14/47/1181191447.db2.gz XODXRDFZMAMMME-XJFOESAGSA-N 2 2 302.378 0.400 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001714167557 1181271940 /nfs/dbraw/zinc/27/19/40/1181271940.db2.gz USGVWSMBDVVOGD-DYVFJYSZSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001714368889 1181338367 /nfs/dbraw/zinc/33/83/67/1181338367.db2.gz 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ZINC001714865418 1181576181 /nfs/dbraw/zinc/57/61/81/1181576181.db2.gz KMJHHNAKWHQQPA-OAHLLOKOSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001714865418 1181576189 /nfs/dbraw/zinc/57/61/89/1181576189.db2.gz KMJHHNAKWHQQPA-OAHLLOKOSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001715242986 1181731032 /nfs/dbraw/zinc/73/10/32/1181731032.db2.gz YMFYXDOKFWYPRQ-CQSZACIVSA-N 2 2 314.389 0.940 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001715604458 1181890289 /nfs/dbraw/zinc/89/02/89/1181890289.db2.gz VJRCHIFSRNOKGA-INIZCTEOSA-N 2 2 312.373 0.576 20 30 DCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659792 1182484551 /nfs/dbraw/zinc/48/45/51/1182484551.db2.gz GYUCPLAPYFGDET-IAGOWNOFSA-N 2 2 321.465 0.949 20 30 DCEDLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[NH+]2CC#CCOC)C1 ZINC001716659792 1182484552 /nfs/dbraw/zinc/48/45/52/1182484552.db2.gz 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746903754 /nfs/dbraw/zinc/90/37/54/746903754.db2.gz RZRXWOSOPQKLNF-UHFFFAOYSA-N 2 2 319.409 0.129 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391583 746903757 /nfs/dbraw/zinc/90/37/57/746903757.db2.gz RZRXWOSOPQKLNF-UHFFFAOYSA-N 2 2 319.409 0.129 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167432546 747191623 /nfs/dbraw/zinc/19/16/23/747191623.db2.gz VYYOOHJHSMEDMQ-ZDUSSCGKSA-N 2 2 307.398 0.232 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083248685 747422803 /nfs/dbraw/zinc/42/28/03/747422803.db2.gz SMTZKUXICJNEMQ-JKSUJKDBSA-N 2 2 318.421 0.840 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083248685 747422809 /nfs/dbraw/zinc/42/28/09/747422809.db2.gz SMTZKUXICJNEMQ-JKSUJKDBSA-N 2 2 318.421 0.840 20 30 DCEDLP COCC#CC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167737579 747980542 /nfs/dbraw/zinc/98/05/42/747980542.db2.gz WIUPSLNNXWYUFV-UHFFFAOYSA-N 2 2 318.421 0.489 20 30 DCEDLP 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IXBSAMAGUMIBPV-PMPSAXMXSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCO ZINC001049529018 755300586 /nfs/dbraw/zinc/30/05/86/755300586.db2.gz IXBSAMAGUMIBPV-PMPSAXMXSA-N 2 2 305.422 0.142 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090354507 755659171 /nfs/dbraw/zinc/65/91/71/755659171.db2.gz KSXBGJYQAAWICC-GJZGRUSLSA-N 2 2 318.421 0.501 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090354507 755659174 /nfs/dbraw/zinc/65/91/74/755659174.db2.gz KSXBGJYQAAWICC-GJZGRUSLSA-N 2 2 318.421 0.501 20 30 DCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342301 756178040 /nfs/dbraw/zinc/17/80/40/756178040.db2.gz PRRDWPOPFRXISV-IVMMDQJWSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342301 756178043 /nfs/dbraw/zinc/17/80/43/756178043.db2.gz PRRDWPOPFRXISV-IVMMDQJWSA-N 2 2 300.406 0.824 20 30 DCEDLP 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ZINC001071225885 761721983 /nfs/dbraw/zinc/72/19/83/761721983.db2.gz RHAVRYCHTLRJAA-WMLDXEAASA-N 2 2 316.405 0.288 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939451 763145472 /nfs/dbraw/zinc/14/54/72/763145472.db2.gz GAZTWDDAAZZBFH-HUUCEWRRSA-N 2 2 322.409 0.027 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939451 763145476 /nfs/dbraw/zinc/14/54/76/763145476.db2.gz GAZTWDDAAZZBFH-HUUCEWRRSA-N 2 2 322.409 0.027 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138442 763344031 /nfs/dbraw/zinc/34/40/31/763344031.db2.gz IMXBWZZOHDNIQZ-GJZGRUSLSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138442 763344041 /nfs/dbraw/zinc/34/40/41/763344041.db2.gz IMXBWZZOHDNIQZ-GJZGRUSLSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441090 764461628 /nfs/dbraw/zinc/46/16/28/764461628.db2.gz KJBWHZLTIICJFC-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC[C@@H]1C ZINC001132441090 764461633 /nfs/dbraw/zinc/46/16/33/764461633.db2.gz KJBWHZLTIICJFC-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441090 764461637 /nfs/dbraw/zinc/46/16/37/764461637.db2.gz KJBWHZLTIICJFC-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC[C@@H]1C ZINC001132441090 764461640 /nfs/dbraw/zinc/46/16/40/764461640.db2.gz KJBWHZLTIICJFC-LSDHHAIUSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490409 764484290 /nfs/dbraw/zinc/48/42/90/764484290.db2.gz UPMGJLCPZJQXDV-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490409 764484300 /nfs/dbraw/zinc/48/43/00/764484300.db2.gz UPMGJLCPZJQXDV-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP 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C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325235730 947720970 /nfs/dbraw/zinc/72/09/70/947720970.db2.gz AJMOQZQPADWDBP-OAHLLOKOSA-N 2 2 307.438 0.293 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273884806 948657427 /nfs/dbraw/zinc/65/74/27/948657427.db2.gz KVEQUTWGKFKSQK-WBVHZDCISA-N 2 2 318.421 0.887 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273884806 948657430 /nfs/dbraw/zinc/65/74/30/948657430.db2.gz KVEQUTWGKFKSQK-WBVHZDCISA-N 2 2 318.421 0.887 20 30 DCEDLP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCc2c[nH+]cn2C)CC1 ZINC001273884991 948660005 /nfs/dbraw/zinc/66/00/05/948660005.db2.gz MBSOGHNLRJWBNL-HUUCEWRRSA-N 2 2 318.421 0.685 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001264176698 948918011 /nfs/dbraw/zinc/91/80/11/948918011.db2.gz LHMINODVWQOARI-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001264176698 948918025 /nfs/dbraw/zinc/91/80/25/948918025.db2.gz LHMINODVWQOARI-CVEARBPZSA-N 2 2 318.421 0.892 20 30 DCEDLP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264634152 949041802 /nfs/dbraw/zinc/04/18/02/949041802.db2.gz KKERGCHWATUPIU-AWEZNQCLSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264634152 949041822 /nfs/dbraw/zinc/04/18/22/949041822.db2.gz KKERGCHWATUPIU-AWEZNQCLSA-N 2 2 304.394 0.261 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334145 949730353 /nfs/dbraw/zinc/73/03/53/949730353.db2.gz KAZAZEXANTUVNF-INIZCTEOSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334145 949730368 /nfs/dbraw/zinc/73/03/68/949730368.db2.gz KAZAZEXANTUVNF-INIZCTEOSA-N 2 2 318.421 0.846 20 30 DCEDLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001490499690 950755024 /nfs/dbraw/zinc/75/50/24/950755024.db2.gz DZGDKELBCDJRNZ-MRXNPFEDSA-N 2 2 321.469 0.366 20 30 DCEDLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001490499690 950755033 /nfs/dbraw/zinc/75/50/33/950755033.db2.gz DZGDKELBCDJRNZ-MRXNPFEDSA-N 2 2 321.469 0.366 20 30 DCEDLP C#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001274917649 951893041 /nfs/dbraw/zinc/89/30/41/951893041.db2.gz ZSKYZPPAHLBNDW-CQSZACIVSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CC[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001493006052 951993891 /nfs/dbraw/zinc/99/38/91/951993891.db2.gz BFSQGZDOXLTZIV-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001493006052 951993895 /nfs/dbraw/zinc/99/38/95/951993895.db2.gz BFSQGZDOXLTZIV-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001493006052 951993906 /nfs/dbraw/zinc/99/39/06/951993906.db2.gz BFSQGZDOXLTZIV-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001493006052 951993910 /nfs/dbraw/zinc/99/39/10/951993910.db2.gz BFSQGZDOXLTZIV-INIZCTEOSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001283706517 954549192 /nfs/dbraw/zinc/54/91/92/954549192.db2.gz XHYZGFNPBBJAIX-AWEZNQCLSA-N 2 2 306.410 0.439 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001295429835 957702006 /nfs/dbraw/zinc/70/20/06/957702006.db2.gz LLSJXTNXPJXJIC-AWEZNQCLSA-N 2 2 309.410 0.390 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001381617177 966585204 /nfs/dbraw/zinc/58/52/04/966585204.db2.gz KCHZDAQXLWTYRY-OLZOCXBDSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001381617177 966585211 /nfs/dbraw/zinc/58/52/11/966585211.db2.gz KCHZDAQXLWTYRY-OLZOCXBDSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001381617177 966585218 /nfs/dbraw/zinc/58/52/18/966585218.db2.gz KCHZDAQXLWTYRY-OLZOCXBDSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001381617177 966585221 /nfs/dbraw/zinc/58/52/21/966585221.db2.gz KCHZDAQXLWTYRY-OLZOCXBDSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392385627 991852646 /nfs/dbraw/zinc/85/26/46/991852646.db2.gz ZEIXFKNEBKYIBF-VXGBXAGGSA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001399815362 993806024 /nfs/dbraw/zinc/80/60/24/993806024.db2.gz GWWWMHOTZMYRAR-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001399815362 993806028 /nfs/dbraw/zinc/80/60/28/993806028.db2.gz GWWWMHOTZMYRAR-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001399815362 993806035 /nfs/dbraw/zinc/80/60/35/993806035.db2.gz GWWWMHOTZMYRAR-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001399815362 993806039 /nfs/dbraw/zinc/80/60/39/993806039.db2.gz GWWWMHOTZMYRAR-ZDUSSCGKSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001403892512 1002689644 /nfs/dbraw/zinc/68/96/44/1002689644.db2.gz DBXANWYLUJWSKC-OCCSQVGLSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001403892512 1002689649 /nfs/dbraw/zinc/68/96/49/1002689649.db2.gz DBXANWYLUJWSKC-OCCSQVGLSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001403892512 1002689657 /nfs/dbraw/zinc/68/96/57/1002689657.db2.gz DBXANWYLUJWSKC-OCCSQVGLSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001403892512 1002689666 /nfs/dbraw/zinc/68/96/66/1002689666.db2.gz DBXANWYLUJWSKC-OCCSQVGLSA-N 2 2 317.861 0.832 20 30 DCEDLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001473590207 1016950166 /nfs/dbraw/zinc/95/01/66/1016950166.db2.gz QVFSDJBWLSTJKQ-IAGOWNOFSA-N 2 2 303.406 0.980 20 30 DCEDLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001473590207 1016950187 /nfs/dbraw/zinc/95/01/87/1016950187.db2.gz QVFSDJBWLSTJKQ-IAGOWNOFSA-N 2 2 303.406 0.980 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC001521671009 1017401001 /nfs/dbraw/zinc/40/10/01/1017401001.db2.gz BCTMRRRHNKXVSG-KGLIPLIRSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC001521671009 1017401004 /nfs/dbraw/zinc/40/10/04/1017401004.db2.gz BCTMRRRHNKXVSG-KGLIPLIRSA-N 2 2 311.426 0.766 20 30 DCEDLP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001506887317 1017642799 /nfs/dbraw/zinc/64/27/99/1017642799.db2.gz JTPMDOCLJYHUDX-KKUMJFAQSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001479911416 1017961474 /nfs/dbraw/zinc/96/14/74/1017961474.db2.gz FCQOSTQEVXIFGN-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001479911416 1017961479 /nfs/dbraw/zinc/96/14/79/1017961479.db2.gz FCQOSTQEVXIFGN-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001479911416 1017961480 /nfs/dbraw/zinc/96/14/80/1017961480.db2.gz FCQOSTQEVXIFGN-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001479911416 1017961482 /nfs/dbraw/zinc/96/14/82/1017961482.db2.gz FCQOSTQEVXIFGN-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)no1 ZINC001497600825 1018265640 /nfs/dbraw/zinc/26/56/40/1018265640.db2.gz NDTUESJLANLQSA-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cc(C)no1 ZINC001497600825 1018265651 /nfs/dbraw/zinc/26/56/51/1018265651.db2.gz NDTUESJLANLQSA-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497693836 1018341006 /nfs/dbraw/zinc/34/10/06/1018341006.db2.gz PIAKODZFYLRKHN-BWPKMQGJSA-N 2 2 304.394 0.746 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001480654032 1018748537 /nfs/dbraw/zinc/74/85/37/1018748537.db2.gz VCUQTYHPOMWTIV-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001501171830 1018935058 /nfs/dbraw/zinc/93/50/58/1018935058.db2.gz IRLZGIALCWJKHO-QDMKHBRRSA-N 2 2 300.406 0.955 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001501171830 1018935072 /nfs/dbraw/zinc/93/50/72/1018935072.db2.gz IRLZGIALCWJKHO-QDMKHBRRSA-N 2 2 300.406 0.955 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001496730153 1019586626 /nfs/dbraw/zinc/58/66/26/1019586626.db2.gz RUSWWFHEGVAULB-AWEZNQCLSA-N 2 2 310.442 0.163 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001496730153 1019586635 /nfs/dbraw/zinc/58/66/35/1019586635.db2.gz RUSWWFHEGVAULB-AWEZNQCLSA-N 2 2 310.442 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496730153 1019586653 /nfs/dbraw/zinc/58/66/53/1019586653.db2.gz RUSWWFHEGVAULB-AWEZNQCLSA-N 2 2 310.442 0.163 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001496730153 1019586667 /nfs/dbraw/zinc/58/66/67/1019586667.db2.gz RUSWWFHEGVAULB-AWEZNQCLSA-N 2 2 310.442 0.163 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2cnn(CC)c2)CC1 ZINC000491252852 241111288 /nfs/dbraw/zinc/11/12/88/241111288.db2.gz KCYZWCZYMKWUQD-AWEZNQCLSA-N 2 2 303.410 0.331 20 30 DCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262250865 285253481 /nfs/dbraw/zinc/25/34/81/285253481.db2.gz POZPMLUMJGUFRT-OLZOCXBDSA-N 2 2 316.471 0.342 20 30 DCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262250865 285253483 /nfs/dbraw/zinc/25/34/83/285253483.db2.gz POZPMLUMJGUFRT-OLZOCXBDSA-N 2 2 316.471 0.342 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276732318 396024507 /nfs/dbraw/zinc/02/45/07/396024507.db2.gz DRURDJCQRIDKGX-INIZCTEOSA-N 2 2 317.437 0.929 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276732318 396024508 /nfs/dbraw/zinc/02/45/08/396024508.db2.gz DRURDJCQRIDKGX-INIZCTEOSA-N 2 2 317.437 0.929 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634990 396305983 /nfs/dbraw/zinc/30/59/83/396305983.db2.gz CCHLXDXFJVOAMY-CQSZACIVSA-N 2 2 308.426 0.662 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634990 396305991 /nfs/dbraw/zinc/30/59/91/396305991.db2.gz CCHLXDXFJVOAMY-CQSZACIVSA-N 2 2 308.426 0.662 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634990 396305994 /nfs/dbraw/zinc/30/59/94/396305994.db2.gz CCHLXDXFJVOAMY-CQSZACIVSA-N 2 2 308.426 0.662 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634990 396305998 /nfs/dbraw/zinc/30/59/98/396305998.db2.gz CCHLXDXFJVOAMY-CQSZACIVSA-N 2 2 308.426 0.662 20 30 DCEDLP C[C@@H]1C[N@@H+](CCN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000595333116 396590247 /nfs/dbraw/zinc/59/02/47/396590247.db2.gz MWMLCAUCKBKGFR-CALCHBBNSA-N 2 2 324.469 0.643 20 30 DCEDLP C[C@@H]1C[N@H+](CCN(CCC#N)CC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000595333116 396590249 /nfs/dbraw/zinc/59/02/49/396590249.db2.gz MWMLCAUCKBKGFR-CALCHBBNSA-N 2 2 324.469 0.643 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469966 396613454 /nfs/dbraw/zinc/61/34/54/396613454.db2.gz KVJLZZLIBACLDF-AWEZNQCLSA-N 2 2 324.425 0.185 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469966 396613456 /nfs/dbraw/zinc/61/34/56/396613456.db2.gz KVJLZZLIBACLDF-AWEZNQCLSA-N 2 2 324.425 0.185 20 30 DCEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000625099616 396771503 /nfs/dbraw/zinc/77/15/03/396771503.db2.gz SFRDWCILNHDCKA-KBPBESRZSA-N 2 2 309.369 0.437 20 30 DCEDLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223551 397147612 /nfs/dbraw/zinc/14/76/12/397147612.db2.gz HOAWBFCOOGOVPE-DOMZBBRYSA-N 2 2 301.394 0.904 20 30 DCEDLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(C#N)cc1 ZINC000573223551 397147615 /nfs/dbraw/zinc/14/76/15/397147615.db2.gz HOAWBFCOOGOVPE-DOMZBBRYSA-N 2 2 301.394 0.904 20 30 DCEDLP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000602545137 397436446 /nfs/dbraw/zinc/43/64/46/397436446.db2.gz UBKKNQPCRWPDMY-CYBMUJFWSA-N 2 2 301.394 0.630 20 30 DCEDLP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000602545137 397436452 /nfs/dbraw/zinc/43/64/52/397436452.db2.gz UBKKNQPCRWPDMY-CYBMUJFWSA-N 2 2 301.394 0.630 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762502 159354869 /nfs/dbraw/zinc/35/48/69/159354869.db2.gz CQXXKLZWSBXJTP-ZDUSSCGKSA-N 2 2 301.394 0.785 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC000367762502 159354873 /nfs/dbraw/zinc/35/48/73/159354873.db2.gz CQXXKLZWSBXJTP-ZDUSSCGKSA-N 2 2 301.394 0.785 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170896 415922355 /nfs/dbraw/zinc/92/23/55/415922355.db2.gz FOBRTEAYFKCFKX-JKSUJKDBSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000337170896 415922357 /nfs/dbraw/zinc/92/23/57/415922357.db2.gz FOBRTEAYFKCFKX-JKSUJKDBSA-N 2 2 307.438 0.818 20 30 DCEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329218466 416157068 /nfs/dbraw/zinc/15/70/68/416157068.db2.gz AEYWMQGKCNXORY-CQSZACIVSA-N 2 2 320.441 0.749 20 30 DCEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329218466 416157071 /nfs/dbraw/zinc/15/70/71/416157071.db2.gz AEYWMQGKCNXORY-CQSZACIVSA-N 2 2 320.441 0.749 20 30 DCEDLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330270633 416198940 /nfs/dbraw/zinc/19/89/40/416198940.db2.gz UNQJFHRGZDQJOH-LBPRGKRZSA-N 2 2 311.430 0.926 20 30 DCEDLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330270633 416198944 /nfs/dbraw/zinc/19/89/44/416198944.db2.gz UNQJFHRGZDQJOH-LBPRGKRZSA-N 2 2 311.430 0.926 20 30 DCEDLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330984696 416251116 /nfs/dbraw/zinc/25/11/16/416251116.db2.gz WLIADWVJZMBYIH-WCQYABFASA-N 2 2 306.366 0.973 20 30 DCEDLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330984696 416251119 /nfs/dbraw/zinc/25/11/19/416251119.db2.gz WLIADWVJZMBYIH-WCQYABFASA-N 2 2 306.366 0.973 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000491734598 416619920 /nfs/dbraw/zinc/61/99/20/416619920.db2.gz LLUVVFXZNMEHKR-DLBZAZTESA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000491743749 416622455 /nfs/dbraw/zinc/62/24/55/416622455.db2.gz HXJRQVFAAWJIRB-KRWDZBQOSA-N 2 2 319.449 0.512 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000491743749 416622459 /nfs/dbraw/zinc/62/24/59/416622459.db2.gz HXJRQVFAAWJIRB-KRWDZBQOSA-N 2 2 319.449 0.512 20 30 DCEDLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000330005139 336104989 /nfs/dbraw/zinc/10/49/89/336104989.db2.gz BQQUTVUJDXGFKH-UHFFFAOYSA-N 2 2 307.398 0.631 20 30 DCEDLP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330303476 336146067 /nfs/dbraw/zinc/14/60/67/336146067.db2.gz PFWZERZPUPSDTQ-CHWSQXEVSA-N 2 2 307.398 0.374 20 30 DCEDLP C[NH+](C)C[C@@H]1CN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000330303476 336146069 /nfs/dbraw/zinc/14/60/69/336146069.db2.gz PFWZERZPUPSDTQ-CHWSQXEVSA-N 2 2 307.398 0.374 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000361945102 527610427 /nfs/dbraw/zinc/61/04/27/527610427.db2.gz RWTVKEFSSHHBIE-QGZVFWFLSA-N 2 2 320.481 0.899 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361945102 527610433 /nfs/dbraw/zinc/61/04/33/527610433.db2.gz RWTVKEFSSHHBIE-QGZVFWFLSA-N 2 2 320.481 0.899 20 30 DCEDLP C#CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000970425958 657490982 /nfs/dbraw/zinc/49/09/82/657490982.db2.gz CLWGYOPJSWWGAG-CYBMUJFWSA-N 2 2 316.405 0.954 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001022221040 657567810 /nfs/dbraw/zinc/56/78/10/657567810.db2.gz WAUSIYXTGDTXDS-MJBXVCDLSA-N 2 2 318.446 0.978 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001022221040 657567815 /nfs/dbraw/zinc/56/78/15/657567815.db2.gz WAUSIYXTGDTXDS-MJBXVCDLSA-N 2 2 318.446 0.978 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535724 657654188 /nfs/dbraw/zinc/65/41/88/657654188.db2.gz YMGBAMQCHGINEW-SFHVURJKSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535724 657654193 /nfs/dbraw/zinc/65/41/93/657654193.db2.gz YMGBAMQCHGINEW-SFHVURJKSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413067 658738313 /nfs/dbraw/zinc/73/83/13/658738313.db2.gz DJPBFEZFEJWMLU-AEFFLSMTSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972413067 658738318 /nfs/dbraw/zinc/73/83/18/658738318.db2.gz DJPBFEZFEJWMLU-AEFFLSMTSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338694 658870416 /nfs/dbraw/zinc/87/04/16/658870416.db2.gz OKDAMZNGCNKLIS-GXTWGEPZSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738036 659654511 /nfs/dbraw/zinc/65/45/11/659654511.db2.gz CEQBNQGWDNQYRV-HIFRSBDPSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000974738036 659654513 /nfs/dbraw/zinc/65/45/13/659654513.db2.gz CEQBNQGWDNQYRV-HIFRSBDPSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999872579 665705565 /nfs/dbraw/zinc/70/55/65/665705565.db2.gz VAYGBFTZSDIVAB-GPANFISMSA-N 2 2 307.438 0.862 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641674 661714778 /nfs/dbraw/zinc/71/47/78/661714778.db2.gz ITDQULGDELNWLD-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001028641674 661714781 /nfs/dbraw/zinc/71/47/81/661714781.db2.gz ITDQULGDELNWLD-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)COC ZINC001029342538 662111680 /nfs/dbraw/zinc/11/16/80/662111680.db2.gz SZQZSPYFHBMPGR-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)COC ZINC001029342538 662111681 /nfs/dbraw/zinc/11/16/81/662111681.db2.gz SZQZSPYFHBMPGR-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)COC ZINC001029342538 662111683 /nfs/dbraw/zinc/11/16/83/662111683.db2.gz SZQZSPYFHBMPGR-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP CC#CC[N@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989670670 662970545 /nfs/dbraw/zinc/97/05/45/662970545.db2.gz DLDVHZOMRWUERH-MRXNPFEDSA-N 2 2 307.438 0.512 20 30 DCEDLP C#CCC[NH+]1CC(N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000941653458 666037527 /nfs/dbraw/zinc/03/75/27/666037527.db2.gz VGQLXOPLOGVYHE-UHFFFAOYSA-N 2 2 315.421 0.112 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995974969 666727485 /nfs/dbraw/zinc/72/74/85/666727485.db2.gz NZIIOHFCNXNWAO-KBPBESRZSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCOC)C1 ZINC001034250851 666963185 /nfs/dbraw/zinc/96/31/85/666963185.db2.gz XNQDLOALXVTGGZ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCOC)C1 ZINC001034250851 666963188 /nfs/dbraw/zinc/96/31/88/666963188.db2.gz XNQDLOALXVTGGZ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCOC)C1 ZINC001034250851 666963192 /nfs/dbraw/zinc/96/31/92/666963192.db2.gz XNQDLOALXVTGGZ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCOC)C1 ZINC001034250851 666963196 /nfs/dbraw/zinc/96/31/96/666963196.db2.gz XNQDLOALXVTGGZ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281222 666975402 /nfs/dbraw/zinc/97/54/02/666975402.db2.gz HTOXZZJWRCRXCC-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001034281222 666975404 /nfs/dbraw/zinc/97/54/04/666975404.db2.gz HTOXZZJWRCRXCC-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034362837 667002570 /nfs/dbraw/zinc/00/25/70/667002570.db2.gz IZITTWNUFRBIQW-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034362837 667002575 /nfs/dbraw/zinc/00/25/75/667002575.db2.gz IZITTWNUFRBIQW-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362837 667002578 /nfs/dbraw/zinc/00/25/78/667002578.db2.gz IZITTWNUFRBIQW-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034362837 667002582 /nfs/dbraw/zinc/00/25/82/667002582.db2.gz IZITTWNUFRBIQW-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)OC ZINC001032453963 667277763 /nfs/dbraw/zinc/27/77/63/667277763.db2.gz XQOQOVXROGVQRU-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)OC ZINC001032453963 667277766 /nfs/dbraw/zinc/27/77/66/667277766.db2.gz XQOQOVXROGVQRU-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)OC ZINC001032453963 667277768 /nfs/dbraw/zinc/27/77/68/667277768.db2.gz XQOQOVXROGVQRU-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)OC ZINC001032453963 667277770 /nfs/dbraw/zinc/27/77/70/667277770.db2.gz XQOQOVXROGVQRU-VGWMRTNUSA-N 2 2 305.422 0.404 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475621 667298774 /nfs/dbraw/zinc/29/87/74/667298774.db2.gz ZQSKXZDFEVVLAA-GJZGRUSLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475621 667298776 /nfs/dbraw/zinc/29/87/76/667298776.db2.gz ZQSKXZDFEVVLAA-GJZGRUSLSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC=C)CCO2)CC1 ZINC001035615372 667393237 /nfs/dbraw/zinc/39/32/37/667393237.db2.gz VFITUOQWJROFNC-MRXNPFEDSA-N 2 2 305.422 0.335 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC=C)CCO2)CC1 ZINC001035615372 667393239 /nfs/dbraw/zinc/39/32/39/667393239.db2.gz VFITUOQWJROFNC-MRXNPFEDSA-N 2 2 305.422 0.335 20 30 DCEDLP C[C@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H](C)[NH+]1CCOCC1 ZINC000884212325 667500632 /nfs/dbraw/zinc/50/06/32/667500632.db2.gz BTNWTFBKWBOLHF-SXBYWBFXSA-N 2 2 320.437 0.351 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000884370528 667533020 /nfs/dbraw/zinc/53/30/20/667533020.db2.gz MNEIJDAIASBZPP-OLZOCXBDSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559503 667562683 /nfs/dbraw/zinc/56/26/83/667562683.db2.gz GVEACUQGRDCRFR-GJZGRUSLSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000923559503 667562685 /nfs/dbraw/zinc/56/26/85/667562685.db2.gz GVEACUQGRDCRFR-GJZGRUSLSA-N 2 2 300.406 0.968 20 30 DCEDLP C(CNN=C1CCC[N@@H+]2CCSC[C@@H]12)C[NH+]1CCOCC1 ZINC000872371193 667892648 /nfs/dbraw/zinc/89/26/48/667892648.db2.gz IZFUVTRPXNMEQT-HNNXBMFYSA-N 2 2 312.483 0.866 20 30 DCEDLP C(CNN=C1CCC[N@H+]2CCSC[C@@H]12)C[NH+]1CCOCC1 ZINC000872371193 667892652 /nfs/dbraw/zinc/89/26/52/667892652.db2.gz IZFUVTRPXNMEQT-HNNXBMFYSA-N 2 2 312.483 0.866 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036869316 670227642 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DCEDLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)CC2)[nH+]c1 ZINC000834491055 671764635 /nfs/dbraw/zinc/76/46/35/671764635.db2.gz ZOLXPDNBPUEJEW-GJZGRUSLSA-N 2 2 313.405 0.834 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CS(C)(=O)=O)CC1 ZINC000304682343 685210416 /nfs/dbraw/zinc/21/04/16/685210416.db2.gz PBLINQFFUPFHHD-LBPRGKRZSA-N 2 2 316.471 0.200 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CS(C)(=O)=O)CC1 ZINC000304682343 685210420 /nfs/dbraw/zinc/21/04/20/685210420.db2.gz PBLINQFFUPFHHD-LBPRGKRZSA-N 2 2 316.471 0.200 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958070104 687323724 /nfs/dbraw/zinc/32/37/24/687323724.db2.gz WGYSKLJSDXKQGE-CABCVRRESA-N 2 2 312.373 0.298 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958070104 687323730 /nfs/dbraw/zinc/32/37/30/687323730.db2.gz WGYSKLJSDXKQGE-CABCVRRESA-N 2 2 312.373 0.298 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539225 694110121 /nfs/dbraw/zinc/11/01/21/694110121.db2.gz ZWSFOABNJREFBX-GYMHETDLSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539225 694110125 /nfs/dbraw/zinc/11/01/25/694110125.db2.gz ZWSFOABNJREFBX-GYMHETDLSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539225 694110130 /nfs/dbraw/zinc/11/01/30/694110130.db2.gz ZWSFOABNJREFBX-GYMHETDLSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539225 694110134 /nfs/dbraw/zinc/11/01/34/694110134.db2.gz ZWSFOABNJREFBX-GYMHETDLSA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997530090 690543590 /nfs/dbraw/zinc/54/35/90/690543590.db2.gz GBEUGMPTMFCPBD-GOEBONIOSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997530090 690543593 /nfs/dbraw/zinc/54/35/93/690543593.db2.gz GBEUGMPTMFCPBD-GOEBONIOSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001014780168 692091445 /nfs/dbraw/zinc/09/14/45/692091445.db2.gz QPBVCSRKWWMANP-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001014780168 692091447 /nfs/dbraw/zinc/09/14/47/692091447.db2.gz QPBVCSRKWWMANP-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001014780168 692091450 /nfs/dbraw/zinc/09/14/50/692091450.db2.gz QPBVCSRKWWMANP-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001014780168 692091451 /nfs/dbraw/zinc/09/14/51/692091451.db2.gz QPBVCSRKWWMANP-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018276421 693076403 /nfs/dbraw/zinc/07/64/03/693076403.db2.gz DFPUAODOSCALGH-ZACQAIPSSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018276421 693076411 /nfs/dbraw/zinc/07/64/11/693076411.db2.gz DFPUAODOSCALGH-ZACQAIPSSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001018286118 693078426 /nfs/dbraw/zinc/07/84/26/693078426.db2.gz PWEWJTQRWSHSQC-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001018286118 693078429 /nfs/dbraw/zinc/07/84/29/693078429.db2.gz PWEWJTQRWSHSQC-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018286118 693078435 /nfs/dbraw/zinc/07/84/35/693078435.db2.gz PWEWJTQRWSHSQC-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018286118 693078437 /nfs/dbraw/zinc/07/84/37/693078437.db2.gz PWEWJTQRWSHSQC-OWCLPIDISA-N 2 2 307.438 0.958 20 30 DCEDLP 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C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571602483 1162849968 /nfs/dbraw/zinc/84/99/68/1162849968.db2.gz GYIJRARFKNSTAB-MGPQQGTHSA-N 2 2 304.394 0.288 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001571602483 1162849977 /nfs/dbraw/zinc/84/99/77/1162849977.db2.gz GYIJRARFKNSTAB-MGPQQGTHSA-N 2 2 304.394 0.288 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001691169504 1157604484 /nfs/dbraw/zinc/60/44/84/1157604484.db2.gz YSDFFCUXFAFOEL-CQSZACIVSA-N 2 2 304.394 0.349 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001691169504 1157604488 /nfs/dbraw/zinc/60/44/88/1157604488.db2.gz YSDFFCUXFAFOEL-CQSZACIVSA-N 2 2 304.394 0.349 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001197908221 1158905040 /nfs/dbraw/zinc/90/50/40/1158905040.db2.gz UFBJWRCONLTXHV-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197908221 1158905044 /nfs/dbraw/zinc/90/50/44/1158905044.db2.gz UFBJWRCONLTXHV-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197908221 1158905048 /nfs/dbraw/zinc/90/50/48/1158905048.db2.gz UFBJWRCONLTXHV-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197908221 1158905053 /nfs/dbraw/zinc/90/50/53/1158905053.db2.gz UFBJWRCONLTXHV-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567028708 1160213741 /nfs/dbraw/zinc/21/37/41/1160213741.db2.gz LFLUMXSRAIHQFU-UONOGXRCSA-N 2 2 306.410 0.742 20 30 DCEDLP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001569593911 1161159200 /nfs/dbraw/zinc/15/92/00/1161159200.db2.gz PIXBSIVUDNZXDU-HNNXBMFYSA-N 2 2 318.421 0.753 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001569695749 1161198514 /nfs/dbraw/zinc/19/85/14/1161198514.db2.gz RTYLJPNHSDMJGM-MRXNPFEDSA-N 2 2 319.409 0.014 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001578525132 1165043218 /nfs/dbraw/zinc/04/32/18/1165043218.db2.gz RSMHNBDXOWRZEA-HNNXBMFYSA-N 3 2 309.458 0.492 20 30 DCEDLP N#Cc1cnc(C(=O)NCC[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC001580080756 1165495484 /nfs/dbraw/zinc/49/54/84/1165495484.db2.gz FSAUMYWYBQERCS-UHFFFAOYSA-N 2 2 307.785 0.760 20 30 DCEDLP C#C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001652895540 1173778766 /nfs/dbraw/zinc/77/87/66/1173778766.db2.gz XJXKEILYNFDVLT-INIZCTEOSA-N 2 2 304.390 0.481 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001656088556 1173834760 /nfs/dbraw/zinc/83/47/60/1173834760.db2.gz LQZFOAFRMBVBJQ-LSDHHAIUSA-N 2 2 322.453 0.258 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)C1=O ZINC001656088556 1173834767 /nfs/dbraw/zinc/83/47/67/1173834767.db2.gz LQZFOAFRMBVBJQ-LSDHHAIUSA-N 2 2 322.453 0.258 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001656390876 1173859810 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C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001752471421 1188424370 /nfs/dbraw/zinc/42/43/70/1188424370.db2.gz OFERTUGOJOMESG-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001752852496 1188450694 /nfs/dbraw/zinc/45/06/94/1188450694.db2.gz UGOVOAZNBJJDGP-UHFFFAOYSA-N 2 2 318.421 0.940 20 30 DCEDLP C#CCC[N@H+](C)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001753050778 1188485153 /nfs/dbraw/zinc/48/51/53/1188485153.db2.gz LXMBBTRFBOYPHE-HNNXBMFYSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[N@@H+](C)CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001753050778 1188485155 /nfs/dbraw/zinc/48/51/55/1188485155.db2.gz LXMBBTRFBOYPHE-HNNXBMFYSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001753050778 1188485157 /nfs/dbraw/zinc/48/51/57/1188485157.db2.gz LXMBBTRFBOYPHE-HNNXBMFYSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CCC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001753050778 1188485159 /nfs/dbraw/zinc/48/51/59/1188485159.db2.gz LXMBBTRFBOYPHE-HNNXBMFYSA-N 2 2 303.410 0.861 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCOC(C)C)C2)CC1 ZINC001753395790 1188582571 /nfs/dbraw/zinc/58/25/71/1188582571.db2.gz UKPCAJSRDPNAHL-UHFFFAOYSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001753658749 1188636024 /nfs/dbraw/zinc/63/60/24/1188636024.db2.gz WNHQUSAXZUASHX-HNNXBMFYSA-N 2 2 311.426 0.102 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001753658749 1188636029 /nfs/dbraw/zinc/63/60/29/1188636029.db2.gz WNHQUSAXZUASHX-HNNXBMFYSA-N 2 2 311.426 0.102 20 30 DCEDLP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001753786047 1188654911 /nfs/dbraw/zinc/65/49/11/1188654911.db2.gz LWUBXEJTPVVAMN-OAHLLOKOSA-N 2 2 318.421 0.963 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001754797416 1188937845 /nfs/dbraw/zinc/93/78/45/1188937845.db2.gz OPDRPFMPZARVID-HZPDHXFCSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001755123900 1189030806 /nfs/dbraw/zinc/03/08/06/1189030806.db2.gz VQPPISMFYRXOSV-ZBFHGGJFSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001755166519 1189041796 /nfs/dbraw/zinc/04/17/96/1189041796.db2.gz DHUIZFVXAZXZBR-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001755166519 1189041799 /nfs/dbraw/zinc/04/17/99/1189041799.db2.gz DHUIZFVXAZXZBR-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)CCCC[NH+](C)C)nn2)C1 ZINC001107230434 751962650 /nfs/dbraw/zinc/96/26/50/751962650.db2.gz FLEOKRKUEVBIFH-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026788 749747299 /nfs/dbraw/zinc/74/72/99/749747299.db2.gz YYPDGBYQUQIMIW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026788 749747303 /nfs/dbraw/zinc/74/73/03/749747303.db2.gz YYPDGBYQUQIMIW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026788 749747306 /nfs/dbraw/zinc/74/73/06/749747306.db2.gz YYPDGBYQUQIMIW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026788 749747311 /nfs/dbraw/zinc/74/73/11/749747311.db2.gz YYPDGBYQUQIMIW-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077209702 750269883 /nfs/dbraw/zinc/26/98/83/750269883.db2.gz UXJYNWMYAHNTHQ-ZIAGYGMSSA-N 2 2 306.410 0.664 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077209702 750269888 /nfs/dbraw/zinc/26/98/88/750269888.db2.gz UXJYNWMYAHNTHQ-ZIAGYGMSSA-N 2 2 306.410 0.664 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251558 750297145 /nfs/dbraw/zinc/29/71/45/750297145.db2.gz GLLOAFYDONTETN-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251558 750297147 /nfs/dbraw/zinc/29/71/47/750297147.db2.gz GLLOAFYDONTETN-NWANDNLSSA-N 2 2 304.394 0.183 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580168 750409344 /nfs/dbraw/zinc/40/93/44/750409344.db2.gz UJRIQRBMUPARKR-IMJJTQAJSA-N 2 2 318.421 0.573 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580168 750409345 /nfs/dbraw/zinc/40/93/45/750409345.db2.gz UJRIQRBMUPARKR-IMJJTQAJSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949565 752584266 /nfs/dbraw/zinc/58/42/66/752584266.db2.gz OYSKKACVHXPNSS-NVXWUHKLSA-N 2 2 307.438 0.721 20 30 DCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107949565 752584276 /nfs/dbraw/zinc/58/42/76/752584276.db2.gz OYSKKACVHXPNSS-NVXWUHKLSA-N 2 2 307.438 0.721 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789531 752629475 /nfs/dbraw/zinc/62/94/75/752629475.db2.gz GWXINVCXROEBHR-KQTLUZQSSA-N 2 2 318.421 0.651 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789531 752629479 /nfs/dbraw/zinc/62/94/79/752629479.db2.gz GWXINVCXROEBHR-KQTLUZQSSA-N 2 2 318.421 0.651 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CC(=C)C)C[C@@H]1O ZINC001047415419 754261876 /nfs/dbraw/zinc/26/18/76/754261876.db2.gz WYXKJFDHPJLLDN-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CC(=C)C)C[C@@H]1O ZINC001047415419 754261878 /nfs/dbraw/zinc/26/18/78/754261878.db2.gz WYXKJFDHPJLLDN-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC(=C)C)C[C@@H]1O ZINC001047415419 754261881 /nfs/dbraw/zinc/26/18/81/754261881.db2.gz WYXKJFDHPJLLDN-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CC(=C)C)C[C@@H]1O ZINC001047415419 754261884 /nfs/dbraw/zinc/26/18/84/754261884.db2.gz WYXKJFDHPJLLDN-JYJNAYRXSA-N 2 2 305.422 0.164 20 30 DCEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001047435261 754279639 /nfs/dbraw/zinc/27/96/39/754279639.db2.gz GGCAQHJFQCXYGS-KKUMJFAQSA-N 2 2 318.421 0.525 20 30 DCEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001047435261 754279643 /nfs/dbraw/zinc/27/96/43/754279643.db2.gz GGCAQHJFQCXYGS-KKUMJFAQSA-N 2 2 318.421 0.525 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047505179 754341752 /nfs/dbraw/zinc/34/17/52/754341752.db2.gz CMIAQOLGHBRSTR-KBPBESRZSA-N 2 2 305.378 0.092 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047505179 754341756 /nfs/dbraw/zinc/34/17/56/754341756.db2.gz CMIAQOLGHBRSTR-KBPBESRZSA-N 2 2 305.378 0.092 20 30 DCEDLP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047525736 754358033 /nfs/dbraw/zinc/35/80/33/754358033.db2.gz RMHNBQSAIHUPEZ-GJZGRUSLSA-N 2 2 307.438 0.245 20 30 DCEDLP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047525736 754358038 /nfs/dbraw/zinc/35/80/38/754358038.db2.gz RMHNBQSAIHUPEZ-GJZGRUSLSA-N 2 2 307.438 0.245 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047525736 754358044 /nfs/dbraw/zinc/35/80/44/754358044.db2.gz RMHNBQSAIHUPEZ-GJZGRUSLSA-N 2 2 307.438 0.245 20 30 DCEDLP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001047525736 754358049 /nfs/dbraw/zinc/35/80/49/754358049.db2.gz RMHNBQSAIHUPEZ-GJZGRUSLSA-N 2 2 307.438 0.245 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001047596075 754421564 /nfs/dbraw/zinc/42/15/64/754421564.db2.gz YRDNELBGBHPSLH-IKGGRYGDSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001047596075 754421567 /nfs/dbraw/zinc/42/15/67/754421567.db2.gz YRDNELBGBHPSLH-IKGGRYGDSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001047596075 754421570 /nfs/dbraw/zinc/42/15/70/754421570.db2.gz YRDNELBGBHPSLH-IKGGRYGDSA-N 2 2 321.465 0.778 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001047596075 754421572 /nfs/dbraw/zinc/42/15/72/754421572.db2.gz YRDNELBGBHPSLH-IKGGRYGDSA-N 2 2 321.465 0.778 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698112 756151019 /nfs/dbraw/zinc/15/10/19/756151019.db2.gz DFPVCDIOUNHXSG-LSDHHAIUSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)O2 ZINC001053698112 756151018 /nfs/dbraw/zinc/15/10/18/756151018.db2.gz DFPVCDIOUNHXSG-LSDHHAIUSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001053846502 756236731 /nfs/dbraw/zinc/23/67/31/756236731.db2.gz HIBRPTGRIMNDEX-GJZGRUSLSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001053846502 756236734 /nfs/dbraw/zinc/23/67/34/756236734.db2.gz HIBRPTGRIMNDEX-GJZGRUSLSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053983712 756315833 /nfs/dbraw/zinc/31/58/33/756315833.db2.gz HNTGHDBFXNITBT-AWEZNQCLSA-N 2 2 303.406 0.065 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001050081344 757343390 /nfs/dbraw/zinc/34/33/90/757343390.db2.gz TVAWZMHJVNTHNE-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001050081344 757343400 /nfs/dbraw/zinc/34/34/00/757343400.db2.gz TVAWZMHJVNTHNE-XJKSGUPXSA-N 2 2 316.405 0.906 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C1 ZINC001083110619 757470685 /nfs/dbraw/zinc/47/06/85/757470685.db2.gz MMFOKCNWSXGQNH-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110619 757470688 /nfs/dbraw/zinc/47/06/88/757470688.db2.gz MMFOKCNWSXGQNH-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110619 757470693 /nfs/dbraw/zinc/47/06/93/757470693.db2.gz MMFOKCNWSXGQNH-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110619 757470701 /nfs/dbraw/zinc/47/07/01/757470701.db2.gz MMFOKCNWSXGQNH-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052036763 759132765 /nfs/dbraw/zinc/13/27/65/759132765.db2.gz ULAICSHQUZSHQQ-KRWDZBQOSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052036763 759132770 /nfs/dbraw/zinc/13/27/70/759132770.db2.gz ULAICSHQUZSHQQ-KRWDZBQOSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052036763 759132775 /nfs/dbraw/zinc/13/27/75/759132775.db2.gz ULAICSHQUZSHQQ-KRWDZBQOSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052036763 759132779 /nfs/dbraw/zinc/13/27/79/759132779.db2.gz ULAICSHQUZSHQQ-KRWDZBQOSA-N 2 2 320.481 0.875 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052083758 759167880 /nfs/dbraw/zinc/16/78/80/759167880.db2.gz PVMYUJGDJLLIAU-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052083758 759167883 /nfs/dbraw/zinc/16/78/83/759167883.db2.gz PVMYUJGDJLLIAU-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052116956 759189547 /nfs/dbraw/zinc/18/95/47/759189547.db2.gz CDVRGJAXJKIHCM-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052116956 759189553 /nfs/dbraw/zinc/18/95/53/759189553.db2.gz CDVRGJAXJKIHCM-DLBZAZTESA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001052117865 759191206 /nfs/dbraw/zinc/19/12/06/759191206.db2.gz FXQXFDRDEAHABD-INIZCTEOSA-N 2 2 315.421 0.043 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117587 759191633 /nfs/dbraw/zinc/19/16/33/759191633.db2.gz UQHLRAYNTXYEOC-DLBZAZTESA-N 2 2 320.481 0.733 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117587 759191636 /nfs/dbraw/zinc/19/16/36/759191636.db2.gz UQHLRAYNTXYEOC-DLBZAZTESA-N 2 2 320.481 0.733 20 30 DCEDLP C=CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094631 760246108 /nfs/dbraw/zinc/24/61/08/760246108.db2.gz PVPYJGDFLHOBQE-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094631 760246111 /nfs/dbraw/zinc/24/61/11/760246111.db2.gz PVPYJGDFLHOBQE-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980266 761014115 /nfs/dbraw/zinc/01/41/15/761014115.db2.gz LGPMVQUPZABITH-KGLIPLIRSA-N 2 2 315.381 0.011 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980266 761014125 /nfs/dbraw/zinc/01/41/25/761014125.db2.gz LGPMVQUPZABITH-KGLIPLIRSA-N 2 2 315.381 0.011 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001070247268 761153242 /nfs/dbraw/zinc/15/32/42/761153242.db2.gz LZMCCEYXPYZUGV-KGLIPLIRSA-N 2 2 315.381 0.092 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216295 761712076 /nfs/dbraw/zinc/71/20/76/761712076.db2.gz OMHANMUJWJQFOZ-CJNGLKHVSA-N 2 2 302.378 0.277 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216295 761712081 /nfs/dbraw/zinc/71/20/81/761712081.db2.gz OMHANMUJWJQFOZ-CJNGLKHVSA-N 2 2 302.378 0.277 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1conc1CC ZINC001129763275 763002188 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DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939143 763144924 /nfs/dbraw/zinc/14/49/24/763144924.db2.gz ACIWORSEKPHDFZ-HUUCEWRRSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939143 763144929 /nfs/dbraw/zinc/14/49/29/763144929.db2.gz ACIWORSEKPHDFZ-HUUCEWRRSA-N 2 2 306.410 0.791 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939776 763145223 /nfs/dbraw/zinc/14/52/23/763145223.db2.gz LVTJCGORFJNCDO-LSDHHAIUSA-N 2 2 306.410 0.791 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939776 763145226 /nfs/dbraw/zinc/14/52/26/763145226.db2.gz LVTJCGORFJNCDO-LSDHHAIUSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001130428119 763300253 /nfs/dbraw/zinc/30/02/53/763300253.db2.gz VBNUMAACWXXBQJ-GFCCVEGCSA-N 2 2 314.393 0.967 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001130428119 763300263 /nfs/dbraw/zinc/30/02/63/763300263.db2.gz VBNUMAACWXXBQJ-GFCCVEGCSA-N 2 2 314.393 0.967 20 30 DCEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC#N ZINC001131059941 763621939 /nfs/dbraw/zinc/62/19/39/763621939.db2.gz QCGBWGWUJATTBM-ZIAGYGMSSA-N 2 2 318.425 0.169 20 30 DCEDLP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613530 763892254 /nfs/dbraw/zinc/89/22/54/763892254.db2.gz DYCMYXPBXJTJAU-CABCVRRESA-N 2 2 311.426 0.148 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069827 763950572 /nfs/dbraw/zinc/95/05/72/763950572.db2.gz XKLWDBHOBFNQGX-IYXRBSQSSA-N 2 2 319.409 0.058 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001135079975 765790786 /nfs/dbraw/zinc/79/07/86/765790786.db2.gz IJFNXYTUWUGGEJ-OCCSQVGLSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001135079975 765790788 /nfs/dbraw/zinc/79/07/88/765790788.db2.gz IJFNXYTUWUGGEJ-OCCSQVGLSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766458 766091233 /nfs/dbraw/zinc/09/12/33/766091233.db2.gz UYSPIAOENXRKPQ-CYBMUJFWSA-N 2 2 321.425 0.471 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135775131 766097637 /nfs/dbraw/zinc/09/76/37/766097637.db2.gz UGKHXSZWKIPNCH-VXGBXAGGSA-N 2 2 307.398 0.127 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnsn1 ZINC001160198181 766436850 /nfs/dbraw/zinc/43/68/50/766436850.db2.gz VWRIUKHNWMAGPP-ZDUSSCGKSA-N 2 2 307.423 0.232 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnsn1 ZINC001160198181 766436844 /nfs/dbraw/zinc/43/68/44/766436844.db2.gz VWRIUKHNWMAGPP-ZDUSSCGKSA-N 2 2 307.423 0.232 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727095 766522824 /nfs/dbraw/zinc/52/28/24/766522824.db2.gz HHCYFYLHGXPEHZ-LSDHHAIUSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727095 766522832 /nfs/dbraw/zinc/52/28/32/766522832.db2.gz HHCYFYLHGXPEHZ-LSDHHAIUSA-N 2 2 306.410 0.480 20 30 DCEDLP COCC#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122291074 767760786 /nfs/dbraw/zinc/76/07/86/767760786.db2.gz VKCMJPQSNMXWPR-UHFFFAOYSA-N 2 2 316.405 0.550 20 30 DCEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001125219724 768377091 /nfs/dbraw/zinc/37/70/91/768377091.db2.gz AAERUBQVVILQGY-OAHLLOKOSA-N 2 2 302.378 0.095 20 30 DCEDLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001125219724 768377099 /nfs/dbraw/zinc/37/70/99/768377099.db2.gz AAERUBQVVILQGY-OAHLLOKOSA-N 2 2 302.378 0.095 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092741001 768382928 /nfs/dbraw/zinc/38/29/28/768382928.db2.gz WJAQNDBXXFIXNT-QLFBSQMISA-N 2 2 300.406 0.763 20 30 DCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC001092741001 768382934 /nfs/dbraw/zinc/38/29/34/768382934.db2.gz WJAQNDBXXFIXNT-QLFBSQMISA-N 2 2 300.406 0.763 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150220304 769041465 /nfs/dbraw/zinc/04/14/65/769041465.db2.gz VMYNVSBPCLYSRP-CYBMUJFWSA-N 2 2 303.834 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150220304 769041472 /nfs/dbraw/zinc/04/14/72/769041472.db2.gz VMYNVSBPCLYSRP-CYBMUJFWSA-N 2 2 303.834 0.898 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235300443 769799029 /nfs/dbraw/zinc/79/90/29/769799029.db2.gz AGAMJMYGNXHYLT-HOTGVXAUSA-N 2 2 317.437 0.369 20 30 DCEDLP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235300443 769799038 /nfs/dbraw/zinc/79/90/38/769799038.db2.gz AGAMJMYGNXHYLT-HOTGVXAUSA-N 2 2 317.437 0.369 20 30 DCEDLP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829153 770180297 /nfs/dbraw/zinc/18/02/97/770180297.db2.gz ISSNIZWQZPGOHE-OAHLLOKOSA-N 2 2 306.410 0.798 20 30 DCEDLP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001154476915 770192646 /nfs/dbraw/zinc/19/26/46/770192646.db2.gz BSIMKLPATSDYKO-WBVHZDCISA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC001154476915 770192652 /nfs/dbraw/zinc/19/26/52/770192652.db2.gz BSIMKLPATSDYKO-WBVHZDCISA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001154476915 770192656 /nfs/dbraw/zinc/19/26/56/770192656.db2.gz BSIMKLPATSDYKO-WBVHZDCISA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001154476915 770192662 /nfs/dbraw/zinc/19/26/62/770192662.db2.gz BSIMKLPATSDYKO-WBVHZDCISA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177064229 770317446 /nfs/dbraw/zinc/31/74/46/770317446.db2.gz LEHXOKFHNVGSIM-MRXNPFEDSA-N 2 2 320.437 0.983 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177063932 770318620 /nfs/dbraw/zinc/31/86/20/770318620.db2.gz GUCHWDFJEKXITH-MRXNPFEDSA-N 2 2 318.421 0.430 20 30 DCEDLP N#Cc1ncc(Cl)nc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155373432 770481562 /nfs/dbraw/zinc/48/15/62/770481562.db2.gz QIYZZMUCZKVVFD-NSHDSACASA-N 2 2 306.801 0.861 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922646 773134516 /nfs/dbraw/zinc/13/45/16/773134516.db2.gz SRTOPDXHYFRZIE-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922646 773134517 /nfs/dbraw/zinc/13/45/17/773134517.db2.gz SRTOPDXHYFRZIE-ZIAGYGMSSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251200 773168358 /nfs/dbraw/zinc/16/83/58/773168358.db2.gz LQWUQFYYEYRLSR-FVQBIDKESA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001194251200 773168362 /nfs/dbraw/zinc/16/83/62/773168362.db2.gz LQWUQFYYEYRLSR-FVQBIDKESA-N 2 2 318.421 0.573 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC=C)C[C@H]1C ZINC001207583285 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DCEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001491258703 943874609 /nfs/dbraw/zinc/87/46/09/943874609.db2.gz ITFDRKRWFFVWFX-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001485639534 944058263 /nfs/dbraw/zinc/05/82/63/944058263.db2.gz DWCOFVKKRTUFCN-ZIAGYGMSSA-N 2 2 304.394 0.191 20 30 DCEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276812657 944310777 /nfs/dbraw/zinc/31/07/77/944310777.db2.gz LHLWKYHZNMPXAX-DZGCQCFKSA-N 2 2 306.410 0.744 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001486088824 944547801 /nfs/dbraw/zinc/54/78/01/944547801.db2.gz YBEJFPRFDGPWNT-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001486118984 944577865 /nfs/dbraw/zinc/57/78/65/944577865.db2.gz RYUZWLBUCWFUFR-HUUCEWRRSA-N 2 2 304.394 0.502 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001486244870 944667772 /nfs/dbraw/zinc/66/77/72/944667772.db2.gz OYESNEKIBYXLFV-AWEZNQCLSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317171613 944835259 /nfs/dbraw/zinc/83/52/59/944835259.db2.gz CBSFXTFPJJCYAE-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317171613 944835264 /nfs/dbraw/zinc/83/52/64/944835264.db2.gz CBSFXTFPJJCYAE-LSDHHAIUSA-N 2 2 324.469 0.600 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ncccn2)CC1 ZINC001317294650 944904789 /nfs/dbraw/zinc/90/47/89/944904789.db2.gz OHWJNXPTMQQZCQ-CQSZACIVSA-N 2 2 315.421 0.416 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001486480960 944915631 /nfs/dbraw/zinc/91/56/31/944915631.db2.gz UNTAFXCMFXIGIJ-UHFFFAOYSA-N 2 2 318.421 0.916 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317433278 944968460 /nfs/dbraw/zinc/96/84/60/944968460.db2.gz UKSGKTGJXRVMHN-MRXNPFEDSA-N 2 2 318.421 0.963 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317433278 944968465 /nfs/dbraw/zinc/96/84/65/944968465.db2.gz UKSGKTGJXRVMHN-MRXNPFEDSA-N 2 2 318.421 0.963 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001277846129 945003525 /nfs/dbraw/zinc/00/35/25/945003525.db2.gz PVPUCXHHDWTXRA-JSGCOSHPSA-N 2 2 318.425 0.147 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001277846129 945003535 /nfs/dbraw/zinc/00/35/35/945003535.db2.gz PVPUCXHHDWTXRA-JSGCOSHPSA-N 2 2 318.425 0.147 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001277846132 945005260 /nfs/dbraw/zinc/00/52/60/945005260.db2.gz PVPUCXHHDWTXRA-OCCSQVGLSA-N 2 2 318.425 0.147 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001277846132 945005270 /nfs/dbraw/zinc/00/52/70/945005270.db2.gz PVPUCXHHDWTXRA-OCCSQVGLSA-N 2 2 318.425 0.147 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278602600 945677402 /nfs/dbraw/zinc/67/74/02/945677402.db2.gz SPHHMXTUIAEYNX-ZIAGYGMSSA-N 2 2 304.394 0.477 20 30 DCEDLP C=CCO[C@@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320859832 946043885 /nfs/dbraw/zinc/04/38/85/946043885.db2.gz XTEPNLOMLPUGKM-IAGOWNOFSA-N 2 2 310.438 0.901 20 30 DCEDLP C=CCO[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001320859832 946043897 /nfs/dbraw/zinc/04/38/97/946043897.db2.gz XTEPNLOMLPUGKM-IAGOWNOFSA-N 2 2 310.438 0.901 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253582619 946139209 /nfs/dbraw/zinc/13/92/09/946139209.db2.gz RDYVJYDXQRHFQK-AWEZNQCLSA-N 2 2 305.426 0.669 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001253582619 946139211 /nfs/dbraw/zinc/13/92/11/946139211.db2.gz RDYVJYDXQRHFQK-AWEZNQCLSA-N 2 2 305.426 0.669 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278865514 946499629 /nfs/dbraw/zinc/49/96/29/946499629.db2.gz ZRXDIUYBBIERNT-LSDHHAIUSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278865514 946499633 /nfs/dbraw/zinc/49/96/33/946499633.db2.gz ZRXDIUYBBIERNT-LSDHHAIUSA-N 2 2 318.421 0.220 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001323050652 946912625 /nfs/dbraw/zinc/91/26/25/946912625.db2.gz JJUCOPAFIDBHLB-OAHLLOKOSA-N 2 2 304.394 0.407 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001411167793 947428453 /nfs/dbraw/zinc/42/84/53/947428453.db2.gz PVGMUARHRLONAN-CHWSQXEVSA-N 2 2 303.834 0.584 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001411167793 947428459 /nfs/dbraw/zinc/42/84/59/947428459.db2.gz PVGMUARHRLONAN-CHWSQXEVSA-N 2 2 303.834 0.584 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001411167793 947428463 /nfs/dbraw/zinc/42/84/63/947428463.db2.gz PVGMUARHRLONAN-CHWSQXEVSA-N 2 2 303.834 0.584 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001411167793 947428468 /nfs/dbraw/zinc/42/84/68/947428468.db2.gz PVGMUARHRLONAN-CHWSQXEVSA-N 2 2 303.834 0.584 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001325110671 947658740 /nfs/dbraw/zinc/65/87/40/947658740.db2.gz OAMUINYPUJQFQT-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001325110671 947658744 /nfs/dbraw/zinc/65/87/44/947658744.db2.gz OAMUINYPUJQFQT-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273883913 948658360 /nfs/dbraw/zinc/65/83/60/948658360.db2.gz BYZVFIHYMQFEPH-CABCVRRESA-N 2 2 318.421 0.648 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OCC ZINC001489009575 949430835 /nfs/dbraw/zinc/43/08/35/949430835.db2.gz JXWIOVARRACTKD-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001489009575 949430849 /nfs/dbraw/zinc/43/08/49/949430849.db2.gz JXWIOVARRACTKD-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001329718647 949813423 /nfs/dbraw/zinc/81/34/23/949813423.db2.gz YFIQSWNIASISCF-UHFFFAOYSA-N 2 2 309.454 0.992 20 30 DCEDLP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001490685026 950995669 /nfs/dbraw/zinc/99/56/69/950995669.db2.gz WSUPZIAUBKYZLY-HOCLYGCPSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001276061797 952882699 /nfs/dbraw/zinc/88/26/99/952882699.db2.gz BJYWODJVTIKPNH-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001276061797 952882701 /nfs/dbraw/zinc/88/27/01/952882701.db2.gz BJYWODJVTIKPNH-HNNXBMFYSA-N 2 2 309.454 0.990 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[N@H+](C)C3)n2CC)CC1 ZINC001339832564 953122938 /nfs/dbraw/zinc/12/29/38/953122938.db2.gz QRTUQKWUUVUSLB-HNNXBMFYSA-N 2 2 316.453 0.862 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@H]3CCC[N@@H+](C)C3)n2CC)CC1 ZINC001339832564 953122939 /nfs/dbraw/zinc/12/29/39/953122939.db2.gz QRTUQKWUUVUSLB-HNNXBMFYSA-N 2 2 316.453 0.862 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001479964326 954762767 /nfs/dbraw/zinc/76/27/67/954762767.db2.gz RXALGTVAOHXZSF-CQSZACIVSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001479964326 954762773 /nfs/dbraw/zinc/76/27/73/954762773.db2.gz RXALGTVAOHXZSF-CQSZACIVSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964326 954762783 /nfs/dbraw/zinc/76/27/83/954762783.db2.gz RXALGTVAOHXZSF-CQSZACIVSA-N 2 2 324.469 0.457 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001479964326 954762789 /nfs/dbraw/zinc/76/27/89/954762789.db2.gz RXALGTVAOHXZSF-CQSZACIVSA-N 2 2 324.469 0.457 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001284154366 954884443 /nfs/dbraw/zinc/88/44/43/954884443.db2.gz OASKUKDWTMEHSL-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001284154366 954884450 /nfs/dbraw/zinc/88/44/50/954884450.db2.gz OASKUKDWTMEHSL-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@H](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001492027192 959564690 /nfs/dbraw/zinc/56/46/90/959564690.db2.gz OLDILEXSWQTFOY-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+][C@H](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001492027192 959564702 /nfs/dbraw/zinc/56/47/02/959564702.db2.gz OLDILEXSWQTFOY-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316745103 960300180 /nfs/dbraw/zinc/30/01/80/960300180.db2.gz DAMZPTKZVSZNQJ-AWEZNQCLSA-N 2 2 306.410 0.814 20 30 DCEDLP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316745103 960300189 /nfs/dbraw/zinc/30/01/89/960300189.db2.gz DAMZPTKZVSZNQJ-AWEZNQCLSA-N 2 2 306.410 0.814 20 30 DCEDLP N#Cc1ccccc1C[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001379284841 962536834 /nfs/dbraw/zinc/53/68/34/962536834.db2.gz AQIUIFJVKRJINX-HNNXBMFYSA-N 2 2 313.361 0.022 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392385614 991852015 /nfs/dbraw/zinc/85/20/15/991852015.db2.gz ZEIXFKNEBKYIBF-NEPJUHHUSA-N 2 2 312.801 0.265 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001407369106 1004599532 /nfs/dbraw/zinc/59/95/32/1004599532.db2.gz MOQNJEPFCCLFMZ-AWEZNQCLSA-N 2 2 312.801 0.497 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001407369106 1004599536 /nfs/dbraw/zinc/59/95/36/1004599536.db2.gz MOQNJEPFCCLFMZ-AWEZNQCLSA-N 2 2 312.801 0.497 20 30 DCEDLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1ccccc1C#N ZINC001441794855 1008507193 /nfs/dbraw/zinc/50/71/93/1008507193.db2.gz UXXNVTDQUGPFTL-CZUORRHYSA-N 2 2 316.405 0.483 20 30 DCEDLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1ccccc1C#N ZINC001441794855 1008507195 /nfs/dbraw/zinc/50/71/95/1008507195.db2.gz UXXNVTDQUGPFTL-CZUORRHYSA-N 2 2 316.405 0.483 20 30 DCEDLP COCC#CC[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001506961861 1017707780 /nfs/dbraw/zinc/70/77/80/1017707780.db2.gz ZHDRAJQEIPJFBF-UHFFFAOYSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001506961861 1017707795 /nfs/dbraw/zinc/70/77/95/1017707795.db2.gz ZHDRAJQEIPJFBF-UHFFFAOYSA-N 2 2 318.421 0.846 20 30 DCEDLP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001480211912 1018321054 /nfs/dbraw/zinc/32/10/54/1018321054.db2.gz PMBCCKJBOFDNGQ-SOUVJXGZSA-N 2 2 318.421 0.885 20 30 DCEDLP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001500382450 1018436214 /nfs/dbraw/zinc/43/62/14/1018436214.db2.gz RERVVFSYUSZVRO-MRXNPFEDSA-N 2 2 304.394 0.430 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001497817360 1018443046 /nfs/dbraw/zinc/44/30/46/1018443046.db2.gz DXFVLHBYHYAJEZ-CQSZACIVSA-N 2 2 318.421 0.506 20 30 DCEDLP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001498025443 1018590090 /nfs/dbraw/zinc/59/00/90/1018590090.db2.gz GYTGAZDXWBIRRT-BBRMVZONSA-N 2 2 316.405 0.483 20 30 DCEDLP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001498025443 1018590098 /nfs/dbraw/zinc/59/00/98/1018590098.db2.gz GYTGAZDXWBIRRT-BBRMVZONSA-N 2 2 316.405 0.483 20 30 DCEDLP COCC#CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001495980119 1018928886 /nfs/dbraw/zinc/92/88/86/1018928886.db2.gz CMCPEQIKPCMJBO-UHFFFAOYSA-N 2 2 316.405 0.457 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001497013021 1019918374 /nfs/dbraw/zinc/91/83/74/1019918374.db2.gz VLNJOYVDHYQUJJ-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP [NH2+]=C(NCC1CCC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000263103230 238184351 /nfs/dbraw/zinc/18/43/51/238184351.db2.gz KHRUIRUUTFZEMS-UHFFFAOYSA-N 2 2 310.442 0.572 20 30 DCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)NCC2CC2)cc1 ZINC000269851890 238264130 /nfs/dbraw/zinc/26/41/30/238264130.db2.gz PIRHZYWPBTZKQR-UHFFFAOYSA-N 2 2 304.394 0.911 20 30 DCEDLP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000264103175 533551042 /nfs/dbraw/zinc/55/10/42/533551042.db2.gz OPPYWRCYXTVWAQ-ZDUSSCGKSA-N 2 2 322.409 0.439 20 30 DCEDLP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000264103175 533551043 /nfs/dbraw/zinc/55/10/43/533551043.db2.gz OPPYWRCYXTVWAQ-ZDUSSCGKSA-N 2 2 322.409 0.439 20 30 DCEDLP CC(C)(C#N)C[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000598589332 397252483 /nfs/dbraw/zinc/25/24/83/397252483.db2.gz IGZHGQSSPUIQHO-HNNXBMFYSA-N 2 2 322.453 0.527 20 30 DCEDLP COc1cc(C#N)ccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989317 397543182 /nfs/dbraw/zinc/54/31/82/397543182.db2.gz LCHOTTJZJZUJQN-UHFFFAOYSA-N 2 2 316.405 0.773 20 30 DCEDLP COc1cc(C#N)ccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989317 397543185 /nfs/dbraw/zinc/54/31/85/397543185.db2.gz LCHOTTJZJZUJQN-UHFFFAOYSA-N 2 2 316.405 0.773 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835666 415453142 /nfs/dbraw/zinc/45/31/42/415453142.db2.gz MZWMVLCHHDVCGB-CQSZACIVSA-N 2 2 308.426 0.806 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835666 415453151 /nfs/dbraw/zinc/45/31/51/415453151.db2.gz MZWMVLCHHDVCGB-CQSZACIVSA-N 2 2 308.426 0.806 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004405 415525181 /nfs/dbraw/zinc/52/51/81/415525181.db2.gz ZOHRNADFPMGQCD-ZDUSSCGKSA-N 2 2 319.409 0.686 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004405 415525188 /nfs/dbraw/zinc/52/51/88/415525188.db2.gz ZOHRNADFPMGQCD-ZDUSSCGKSA-N 2 2 319.409 0.686 20 30 DCEDLP COC[C@@H](C)NC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000104178663 415622925 /nfs/dbraw/zinc/62/29/25/415622925.db2.gz OOEVZSZUYFDHNN-TZMCWYRMSA-N 2 2 316.471 0.134 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343961562 415798934 /nfs/dbraw/zinc/79/89/34/415798934.db2.gz CKTCMPXHIMLZCB-JYJNAYRXSA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343961562 415798939 /nfs/dbraw/zinc/79/89/39/415798939.db2.gz CKTCMPXHIMLZCB-JYJNAYRXSA-N 2 2 308.470 0.635 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134125929 415953122 /nfs/dbraw/zinc/95/31/22/415953122.db2.gz UFDVFOHRUQSJTH-CYBMUJFWSA-N 2 2 318.425 0.355 20 30 DCEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000236690369 416328447 /nfs/dbraw/zinc/32/84/47/416328447.db2.gz KRHSIIZNBGVCGD-UHFFFAOYSA-N 2 2 306.410 0.214 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000491308637 416594058 /nfs/dbraw/zinc/59/40/58/416594058.db2.gz VOLBFIWHPYAYAR-UHFFFAOYSA-N 2 2 300.406 0.775 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CCCO)CC2)CC1 ZINC000490934393 416579612 /nfs/dbraw/zinc/57/96/12/416579612.db2.gz HRDBZVJCQUXNFZ-UHFFFAOYSA-N 2 2 307.438 0.248 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000491768429 416626140 /nfs/dbraw/zinc/62/61/40/416626140.db2.gz JHLKRPQQJDYCQF-QGZVFWFLSA-N 2 2 321.490 0.983 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000491768429 416626146 /nfs/dbraw/zinc/62/61/46/416626146.db2.gz JHLKRPQQJDYCQF-QGZVFWFLSA-N 2 2 321.490 0.983 20 30 DCEDLP CC[NH+]=C(NCC[NH+]1CCSCC1)N1CCC(O)CC1 ZINC000262785721 280838629 /nfs/dbraw/zinc/83/86/29/280838629.db2.gz MFYVWMNADUEJML-UHFFFAOYSA-N 2 2 300.472 0.457 20 30 DCEDLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424172516 337793444 /nfs/dbraw/zinc/79/34/44/337793444.db2.gz NADVGHSVGWFHMS-QWHCGFSZSA-N 2 2 310.398 0.103 20 30 DCEDLP C[N@H+](CC(=O)NCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658790 340393912 /nfs/dbraw/zinc/39/39/12/340393912.db2.gz HGTYLRVCFKBXRV-UHFFFAOYSA-N 2 2 315.421 0.660 20 30 DCEDLP C[N@@H+](CC(=O)NCC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658790 340393913 /nfs/dbraw/zinc/39/39/13/340393913.db2.gz HGTYLRVCFKBXRV-UHFFFAOYSA-N 2 2 315.421 0.660 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179080338 526356719 /nfs/dbraw/zinc/35/67/19/526356719.db2.gz FGZBFXLBXJBYGU-MRXNPFEDSA-N 3 2 323.485 0.312 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269677430 527611857 /nfs/dbraw/zinc/61/18/57/527611857.db2.gz CWLOSNZGSDMVPX-UHFFFAOYSA-N 2 2 303.410 0.743 20 30 DCEDLP CC1CC[NH+](CCNC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000329388151 546047454 /nfs/dbraw/zinc/04/74/54/546047454.db2.gz TXUBAKQBBKEHOK-OAHLLOKOSA-N 2 2 311.474 0.468 20 30 DCEDLP CC1CC[NH+](CCNC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC1 ZINC000329388151 546047456 /nfs/dbraw/zinc/04/74/56/546047456.db2.gz TXUBAKQBBKEHOK-OAHLLOKOSA-N 2 2 311.474 0.468 20 30 DCEDLP C=CCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672642374 547390358 /nfs/dbraw/zinc/39/03/58/547390358.db2.gz ILUOZDRBFSQVSQ-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672642374 547390366 /nfs/dbraw/zinc/39/03/66/547390366.db2.gz ILUOZDRBFSQVSQ-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978365633 660527506 /nfs/dbraw/zinc/52/75/06/660527506.db2.gz TWZPBAVKINCDQA-QSPRXWTASA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978365633 660527508 /nfs/dbraw/zinc/52/75/08/660527508.db2.gz TWZPBAVKINCDQA-QSPRXWTASA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978412562 660535060 /nfs/dbraw/zinc/53/50/60/660535060.db2.gz TXXJKTFBHSBHRR-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978412562 660535063 /nfs/dbraw/zinc/53/50/63/660535063.db2.gz TXXJKTFBHSBHRR-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551991 657761637 /nfs/dbraw/zinc/76/16/37/657761637.db2.gz JIAGSEZMXQHDLY-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551991 657761644 /nfs/dbraw/zinc/76/16/44/657761644.db2.gz JIAGSEZMXQHDLY-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551991 657761654 /nfs/dbraw/zinc/76/16/54/657761654.db2.gz JIAGSEZMXQHDLY-AEFFLSMTSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447078 657874927 /nfs/dbraw/zinc/87/49/27/657874927.db2.gz FIXMBKOBORANOX-GJZGRUSLSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971951718 658081582 /nfs/dbraw/zinc/08/15/82/658081582.db2.gz GJBLHMBRBYAROH-CQSZACIVSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971951718 658081586 /nfs/dbraw/zinc/08/15/86/658081586.db2.gz GJBLHMBRBYAROH-CQSZACIVSA-N 2 2 300.406 0.928 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996313 658327373 /nfs/dbraw/zinc/32/73/73/658327373.db2.gz IFVUVNIFGUPCTQ-KGLIPLIRSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638969 661711846 /nfs/dbraw/zinc/71/18/46/661711846.db2.gz PWWOYWVRTUPZOW-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001028638969 661711850 /nfs/dbraw/zinc/71/18/50/661711850.db2.gz PWWOYWVRTUPZOW-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000730105007 663044460 /nfs/dbraw/zinc/04/44/60/663044460.db2.gz YQNQRFZNYBTDTJ-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000730105007 663044461 /nfs/dbraw/zinc/04/44/61/663044461.db2.gz YQNQRFZNYBTDTJ-OAGGEKHMSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@H](C)OC)C1 ZINC001030031476 664368110 /nfs/dbraw/zinc/36/81/10/664368110.db2.gz OOEKKUKKMJVNOH-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@H](C)OC)C1 ZINC001030031476 664368112 /nfs/dbraw/zinc/36/81/12/664368112.db2.gz OOEKKUKKMJVNOH-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)OC)C1 ZINC001030031476 664368115 /nfs/dbraw/zinc/36/81/15/664368115.db2.gz OOEKKUKKMJVNOH-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)OC)C1 ZINC001030031476 664368116 /nfs/dbraw/zinc/36/81/16/664368116.db2.gz OOEKKUKKMJVNOH-JYJNAYRXSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030439563 664546508 /nfs/dbraw/zinc/54/65/08/664546508.db2.gz GGUDTSZJZOOUMP-INIZCTEOSA-N 2 2 305.422 0.454 20 30 DCEDLP C#CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030439563 664546510 /nfs/dbraw/zinc/54/65/10/664546510.db2.gz GGUDTSZJZOOUMP-INIZCTEOSA-N 2 2 305.422 0.454 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001277886 666027586 /nfs/dbraw/zinc/02/75/86/666027586.db2.gz HYRCPKUFBJZUET-AWEZNQCLSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001277886 666027588 /nfs/dbraw/zinc/02/75/88/666027588.db2.gz HYRCPKUFBJZUET-AWEZNQCLSA-N 2 2 315.845 0.898 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048698 666907959 /nfs/dbraw/zinc/90/79/59/666907959.db2.gz SNQSGXFEKCHGLV-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048698 666907961 /nfs/dbraw/zinc/90/79/61/666907961.db2.gz SNQSGXFEKCHGLV-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048698 666907962 /nfs/dbraw/zinc/90/79/62/666907962.db2.gz SNQSGXFEKCHGLV-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048698 666907965 /nfs/dbraw/zinc/90/79/65/666907965.db2.gz SNQSGXFEKCHGLV-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034248978 666962562 /nfs/dbraw/zinc/96/25/62/666962562.db2.gz FTPVZJWYKLSFOF-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034248978 666962564 /nfs/dbraw/zinc/96/25/64/666962564.db2.gz FTPVZJWYKLSFOF-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034248978 666962567 /nfs/dbraw/zinc/96/25/67/666962567.db2.gz FTPVZJWYKLSFOF-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034248978 666962570 /nfs/dbraw/zinc/96/25/70/666962570.db2.gz FTPVZJWYKLSFOF-CVEARBPZSA-N 2 2 307.438 0.437 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)CCO1 ZINC001035401159 667325019 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DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000884291158 667517681 /nfs/dbraw/zinc/51/76/81/667517681.db2.gz RARKJFQGMCJXIE-KGLIPLIRSA-N 2 2 309.410 0.281 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000923561355 667563065 /nfs/dbraw/zinc/56/30/65/667563065.db2.gz ALNOHVHJGBWBFG-INIZCTEOSA-N 2 2 300.406 0.971 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000923561355 667563067 /nfs/dbraw/zinc/56/30/67/667563067.db2.gz ALNOHVHJGBWBFG-INIZCTEOSA-N 2 2 300.406 0.971 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000743467489 667808893 /nfs/dbraw/zinc/80/88/93/667808893.db2.gz BVZHKGJFDWIICT-AWEZNQCLSA-N 2 2 301.394 0.166 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000743467489 667808896 /nfs/dbraw/zinc/80/88/96/667808896.db2.gz BVZHKGJFDWIICT-AWEZNQCLSA-N 2 2 301.394 0.166 20 30 DCEDLP C#CC[C@H](COC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875922934 668397829 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DCEDLP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000852860946 671177689 /nfs/dbraw/zinc/17/76/89/671177689.db2.gz MIKHESZJVZPCSP-INIZCTEOSA-N 2 2 305.422 0.313 20 30 DCEDLP CCOCCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303788806 685207116 /nfs/dbraw/zinc/20/71/16/685207116.db2.gz USNITOIVAXKJTP-OAHLLOKOSA-N 2 2 313.490 0.589 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307951 692259471 /nfs/dbraw/zinc/25/94/71/692259471.db2.gz UMJRHVXPAYWPNJ-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015307951 692259473 /nfs/dbraw/zinc/25/94/73/692259473.db2.gz UMJRHVXPAYWPNJ-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706787 692408239 /nfs/dbraw/zinc/40/82/39/692408239.db2.gz XYCJFYQAYWHEOD-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015706787 692408244 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20 30 DCEDLP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001571077816 1162671978 /nfs/dbraw/zinc/67/19/78/1162671978.db2.gz KTSLBDIYAOGAAK-AWEZNQCLSA-N 2 2 316.405 0.573 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001691350285 1157650038 /nfs/dbraw/zinc/65/00/38/1157650038.db2.gz VJXIVXGAAULRDJ-AWEZNQCLSA-N 2 2 303.410 0.066 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001691350285 1157650041 /nfs/dbraw/zinc/65/00/41/1157650041.db2.gz VJXIVXGAAULRDJ-AWEZNQCLSA-N 2 2 303.410 0.066 20 30 DCEDLP C=CCOCC[N@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001571698667 1162911834 /nfs/dbraw/zinc/91/18/34/1162911834.db2.gz MZYIXRCHQPRNQB-UHFFFAOYSA-N 2 2 318.421 0.914 20 30 DCEDLP C=CCOCC[N@@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001571698667 1162911839 /nfs/dbraw/zinc/91/18/39/1162911839.db2.gz MZYIXRCHQPRNQB-UHFFFAOYSA-N 2 2 318.421 0.914 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001691523677 1158192043 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C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567777622 1160476639 /nfs/dbraw/zinc/47/66/39/1160476639.db2.gz GYIQWNKBVIPLPK-AWEZNQCLSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001569114749 1160946598 /nfs/dbraw/zinc/94/65/98/1160946598.db2.gz CLNMXFLZXWBSAW-LSDHHAIUSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001569114749 1160946600 /nfs/dbraw/zinc/94/66/00/1160946600.db2.gz CLNMXFLZXWBSAW-LSDHHAIUSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001569114749 1160946603 /nfs/dbraw/zinc/94/66/03/1160946603.db2.gz CLNMXFLZXWBSAW-LSDHHAIUSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001569114749 1160946608 /nfs/dbraw/zinc/94/66/08/1160946608.db2.gz CLNMXFLZXWBSAW-LSDHHAIUSA-N 2 2 324.469 0.598 20 30 DCEDLP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCOCC1 ZINC001569732793 1161210697 /nfs/dbraw/zinc/21/06/97/1161210697.db2.gz WNYWLYFWPMHPHS-ZIAGYGMSSA-N 2 2 318.421 0.965 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001570167365 1161469854 /nfs/dbraw/zinc/46/98/54/1161469854.db2.gz OFGGJNKWOQGFQS-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001570167365 1161469865 /nfs/dbraw/zinc/46/98/65/1161469865.db2.gz OFGGJNKWOQGFQS-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CCN(C(=O)N[C@@H](CC)C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC001574582880 1163732853 /nfs/dbraw/zinc/73/28/53/1163732853.db2.gz BESWSGBEMGHFCG-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP [NH3+]C1CC[NH+](CCNC(=O)c2cccc(C#CCO)c2)CC1 ZINC001580189550 1165532510 /nfs/dbraw/zinc/53/25/10/1165532510.db2.gz OCHUOGKYPIFAAG-UHFFFAOYSA-N 2 2 301.390 0.183 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001657082756 1173904954 /nfs/dbraw/zinc/90/49/54/1173904954.db2.gz KSCQZPPNDGQSAT-ZDUSSCGKSA-N 2 2 318.446 0.845 20 30 DCEDLP C#CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001657082756 1173904960 /nfs/dbraw/zinc/90/49/60/1173904960.db2.gz KSCQZPPNDGQSAT-ZDUSSCGKSA-N 2 2 318.446 0.845 20 30 DCEDLP COCC#CC[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001666031692 1174581299 /nfs/dbraw/zinc/58/12/99/1174581299.db2.gz GRDHTQKYXWLERV-INIZCTEOSA-N 2 2 304.394 0.477 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001667847628 1174723886 /nfs/dbraw/zinc/72/38/86/1174723886.db2.gz CVKHCFXYMQWJPJ-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001673576304 1175215264 /nfs/dbraw/zinc/21/52/64/1175215264.db2.gz WALXAQZVEWINLE-HNNXBMFYSA-N 2 2 323.437 0.244 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001673682417 1175223101 /nfs/dbraw/zinc/22/31/01/1175223101.db2.gz DYLFXYTXMLKRSO-QGZVFWFLSA-N 2 2 318.421 0.319 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001673873167 1175237166 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C=CCC[C@H](C)[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001690082333 1177166602 /nfs/dbraw/zinc/16/66/02/1177166602.db2.gz XLYSNELXRIPMIA-INIZCTEOSA-N 2 2 319.453 0.972 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001700263097 1178560097 /nfs/dbraw/zinc/56/00/97/1178560097.db2.gz HYUAFCAMKYTQHM-CABCVRRESA-N 2 2 304.394 0.360 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](C[C@H](C)CC)C1 ZINC001700491582 1178635333 /nfs/dbraw/zinc/63/53/33/1178635333.db2.gz OPCUOLBPNXKXCU-CVEARBPZSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](C[C@H](C)CC)C1 ZINC001700491582 1178635337 /nfs/dbraw/zinc/63/53/37/1178635337.db2.gz OPCUOLBPNXKXCU-CVEARBPZSA-N 2 2 321.465 0.683 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001701037167 1178893953 /nfs/dbraw/zinc/89/39/53/1178893953.db2.gz CBMQJBHHHQFYEA-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001713601789 1180959332 /nfs/dbraw/zinc/95/93/32/1180959332.db2.gz JWNXDGVYMDEULH-OCCSQVGLSA-N 2 2 321.450 0.745 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001713601789 1180959339 /nfs/dbraw/zinc/95/93/39/1180959339.db2.gz JWNXDGVYMDEULH-OCCSQVGLSA-N 2 2 321.450 0.745 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001713758162 1181051944 /nfs/dbraw/zinc/05/19/44/1181051944.db2.gz AXGVQHDYKKGXND-HNNXBMFYSA-N 2 2 318.421 0.393 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001713758162 1181051953 /nfs/dbraw/zinc/05/19/53/1181051953.db2.gz AXGVQHDYKKGXND-HNNXBMFYSA-N 2 2 318.421 0.393 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001715460754 1181819232 /nfs/dbraw/zinc/81/92/32/1181819232.db2.gz PVFBHQVFYPDGIU-HOTGVXAUSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001715472178 1181821172 /nfs/dbraw/zinc/82/11/72/1181821172.db2.gz HHIQXULHCAGYHI-JKSUJKDBSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001715472174 1181821882 /nfs/dbraw/zinc/82/18/82/1181821882.db2.gz HHIQXULHCAGYHI-HOTGVXAUSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001715871177 1182065759 /nfs/dbraw/zinc/06/57/59/1182065759.db2.gz JZESEHGQHGORJY-LRPXVYOUSA-N 2 2 316.405 0.435 20 30 DCEDLP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001716337280 1182342627 /nfs/dbraw/zinc/34/26/27/1182342627.db2.gz PDZAENLPDUTUSL-DKRLNXSXSA-N 2 2 319.449 0.915 20 30 DCEDLP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001716337280 1182342631 /nfs/dbraw/zinc/34/26/31/1182342631.db2.gz PDZAENLPDUTUSL-DKRLNXSXSA-N 2 2 319.449 0.915 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001716687718 1182496288 /nfs/dbraw/zinc/49/62/88/1182496288.db2.gz FZXBWRRUZDUHTI-UHFFFAOYSA-N 2 2 312.373 0.836 20 30 DCEDLP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001717053371 1182650815 /nfs/dbraw/zinc/65/08/15/1182650815.db2.gz BYCDAEBUXHKNBD-AWEZNQCLSA-N 2 2 306.410 0.432 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001724402161 1184431401 /nfs/dbraw/zinc/43/14/01/1184431401.db2.gz OMOWRYUYJNOSLX-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001724402161 1184431407 /nfs/dbraw/zinc/43/14/07/1184431407.db2.gz OMOWRYUYJNOSLX-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001724812939 1184569350 /nfs/dbraw/zinc/56/93/50/1184569350.db2.gz IVOKJIZGXDCEGT-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001724907301 1184613721 /nfs/dbraw/zinc/61/37/21/1184613721.db2.gz ZGXPYWTXOVQHKD-CKEIUWERSA-N 2 2 316.405 0.480 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725695419 1184947072 /nfs/dbraw/zinc/94/70/72/1184947072.db2.gz NRKAXRCAAGJUKX-HNNXBMFYSA-N 2 2 314.389 0.689 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001725696950 1184948484 /nfs/dbraw/zinc/94/84/84/1184948484.db2.gz CQTZGMFLBTVINR-CQSZACIVSA-N 2 2 308.426 0.912 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001725708013 1184957722 /nfs/dbraw/zinc/95/77/22/1184957722.db2.gz VKHWBZPTIVOOLX-BFHYXJOUSA-N 2 2 306.410 0.509 20 30 DCEDLP C=C(C)CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731359804 1185292430 /nfs/dbraw/zinc/29/24/30/1185292430.db2.gz ZAHVEOSRXGUAOF-INIZCTEOSA-N 2 2 308.470 0.781 20 30 DCEDLP C=C(C)CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731359804 1185292434 /nfs/dbraw/zinc/29/24/34/1185292434.db2.gz ZAHVEOSRXGUAOF-INIZCTEOSA-N 2 2 308.470 0.781 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731854321 1185529701 /nfs/dbraw/zinc/52/97/01/1185529701.db2.gz FLMASBWXCBJAMP-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731854321 1185529706 /nfs/dbraw/zinc/52/97/06/1185529706.db2.gz FLMASBWXCBJAMP-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001732569105 1185854097 /nfs/dbraw/zinc/85/40/97/1185854097.db2.gz VQKVZLOOHDNFMX-HOCLYGCPSA-N 2 2 320.437 0.969 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001732569105 1185854106 /nfs/dbraw/zinc/85/41/06/1185854106.db2.gz VQKVZLOOHDNFMX-HOCLYGCPSA-N 2 2 320.437 0.969 20 30 DCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001732722151 1185936431 /nfs/dbraw/zinc/93/64/31/1185936431.db2.gz YXKSUPXLBQWJDG-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001732722151 1185936433 /nfs/dbraw/zinc/93/64/33/1185936433.db2.gz YXKSUPXLBQWJDG-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001732722148 1185936468 /nfs/dbraw/zinc/93/64/68/1185936468.db2.gz YXKSUPXLBQWJDG-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001732722148 1185936471 /nfs/dbraw/zinc/93/64/71/1185936471.db2.gz YXKSUPXLBQWJDG-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1nnc(C)[nH]1 ZINC001732778356 1185963082 /nfs/dbraw/zinc/96/30/82/1185963082.db2.gz PENDBNJEDOHXEV-AWEZNQCLSA-N 2 2 318.425 0.149 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001733180021 1186171110 /nfs/dbraw/zinc/17/11/10/1186171110.db2.gz CGISAZTYZRYUDC-DLBZAZTESA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001733180021 1186171115 /nfs/dbraw/zinc/17/11/15/1186171115.db2.gz CGISAZTYZRYUDC-DLBZAZTESA-N 2 2 319.449 0.747 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001734373351 1186630680 /nfs/dbraw/zinc/63/06/80/1186630680.db2.gz JYSUJVZTCCIHMG-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001734521565 1186675275 /nfs/dbraw/zinc/67/52/75/1186675275.db2.gz KDMWFAKAELKIOS-HOTGVXAUSA-N 2 2 320.437 0.903 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C ZINC001754152657 1188762048 /nfs/dbraw/zinc/76/20/48/1188762048.db2.gz QUEROAZVJWFKGU-ONEGZZNKSA-N 2 2 304.394 0.265 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001754253033 1188799508 /nfs/dbraw/zinc/79/95/08/1188799508.db2.gz VFDWNFLJWPSRFM-ZYHUDNBSSA-N 2 2 307.398 0.046 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001754317672 1188820351 /nfs/dbraw/zinc/82/03/51/1188820351.db2.gz BQHIEMFFYBCHAH-OCCSQVGLSA-N 2 2 321.425 0.319 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001754317672 1188820353 /nfs/dbraw/zinc/82/03/53/1188820353.db2.gz BQHIEMFFYBCHAH-OCCSQVGLSA-N 2 2 321.425 0.319 20 30 DCEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001754445170 1188854215 /nfs/dbraw/zinc/85/42/15/1188854215.db2.gz OKYVTBOFMHCGGP-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001754594959 1188886840 /nfs/dbraw/zinc/88/68/40/1188886840.db2.gz IUAAAGLTRRVEHN-HUUCEWRRSA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001754594959 1188886841 /nfs/dbraw/zinc/88/68/41/1188886841.db2.gz IUAAAGLTRRVEHN-HUUCEWRRSA-N 2 2 318.421 0.961 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001755086759 1189018039 /nfs/dbraw/zinc/01/80/39/1189018039.db2.gz WXIUMALIHPOLRA-PBHICJAKSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001755178548 1189047474 /nfs/dbraw/zinc/04/74/74/1189047474.db2.gz IHJPUYFYGOSKCG-UHFFFAOYSA-N 2 2 304.394 0.240 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001755461520 1189119222 /nfs/dbraw/zinc/11/92/22/1189119222.db2.gz SLIPMYJZUJCJTE-UKRRQHHQSA-N 2 2 304.394 0.191 20 30 DCEDLP CC#CC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001755629910 1189166549 /nfs/dbraw/zinc/16/65/49/1189166549.db2.gz XQNRAAVVPCYIJU-CQSZACIVSA-N 2 2 300.362 0.346 20 30 DCEDLP COCC#CC[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001755865896 1189239429 /nfs/dbraw/zinc/23/94/29/1189239429.db2.gz VWMNEAXBBSDXLK-UHFFFAOYSA-N 2 2 318.421 0.892 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001098532975 747021110 /nfs/dbraw/zinc/02/11/10/747021110.db2.gz NGFOJAXSRZHBKW-UHFFFAOYSA-N 2 2 318.421 0.606 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001098532975 747021115 /nfs/dbraw/zinc/02/11/15/747021115.db2.gz NGFOJAXSRZHBKW-UHFFFAOYSA-N 2 2 318.421 0.606 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+](C)C)C2)nn1 ZINC001105315391 748123715 /nfs/dbraw/zinc/12/37/15/748123715.db2.gz LEKDNCSSCXWRKH-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3C)C2)nn1 ZINC001105372361 748637756 /nfs/dbraw/zinc/63/77/56/748637756.db2.gz BJXNTDBXBLLVBA-UHFFFAOYSA-N 2 2 315.381 0.142 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523377 750093736 /nfs/dbraw/zinc/09/37/36/750093736.db2.gz AVRLYPLLZREOBW-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523377 750093742 /nfs/dbraw/zinc/09/37/42/750093742.db2.gz AVRLYPLLZREOBW-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523377 750093750 /nfs/dbraw/zinc/09/37/50/750093750.db2.gz AVRLYPLLZREOBW-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523377 750093754 /nfs/dbraw/zinc/09/37/54/750093754.db2.gz AVRLYPLLZREOBW-IKGGRYGDSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523378 750093875 /nfs/dbraw/zinc/09/38/75/750093875.db2.gz AVRLYPLLZREOBW-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523378 750093883 /nfs/dbraw/zinc/09/38/83/750093883.db2.gz AVRLYPLLZREOBW-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523378 750093891 /nfs/dbraw/zinc/09/38/91/750093891.db2.gz AVRLYPLLZREOBW-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523378 750093900 /nfs/dbraw/zinc/09/39/00/750093900.db2.gz AVRLYPLLZREOBW-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCOC)CC1 ZINC001112977062 762061835 /nfs/dbraw/zinc/06/18/35/762061835.db2.gz KWJQWUASVZFVIP-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCOC)CC1 ZINC001112977062 762061845 /nfs/dbraw/zinc/06/18/45/762061845.db2.gz KWJQWUASVZFVIP-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(Br)nc2C#N)CC1 ZINC001168737317 753997039 /nfs/dbraw/zinc/99/70/39/753997039.db2.gz RXEKTSSVRZPWLU-UHFFFAOYSA-N 2 2 324.186 0.705 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047409477 754258187 /nfs/dbraw/zinc/25/81/87/754258187.db2.gz VLYSNFRWMFPUNK-IHRRRGAJSA-N 2 2 304.394 0.450 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047409477 754258189 /nfs/dbraw/zinc/25/81/89/754258189.db2.gz VLYSNFRWMFPUNK-IHRRRGAJSA-N 2 2 304.394 0.450 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](C[C@H](C)CC)C[C@@H]1O ZINC001047415426 754262395 /nfs/dbraw/zinc/26/23/95/754262395.db2.gz XDEDKCTZIKEAEJ-QZWWFDLISA-N 2 2 321.465 0.634 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](C[C@H](C)CC)C[C@@H]1O ZINC001047415426 754262400 /nfs/dbraw/zinc/26/24/00/754262400.db2.gz XDEDKCTZIKEAEJ-QZWWFDLISA-N 2 2 321.465 0.634 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H](C)CC)C[C@@H]1O ZINC001047415426 754262404 /nfs/dbraw/zinc/26/24/04/754262404.db2.gz XDEDKCTZIKEAEJ-QZWWFDLISA-N 2 2 321.465 0.634 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](C[C@H](C)CC)C[C@@H]1O ZINC001047415426 754262408 /nfs/dbraw/zinc/26/24/08/754262408.db2.gz XDEDKCTZIKEAEJ-QZWWFDLISA-N 2 2 321.465 0.634 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972359 754402222 /nfs/dbraw/zinc/40/22/22/754402222.db2.gz AHMDTLKINNJPHV-UHFFFAOYSA-N 2 2 319.409 0.249 20 30 DCEDLP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049391026 755247751 /nfs/dbraw/zinc/24/77/51/755247751.db2.gz FYTAXRHRAZNFDJ-OAGGEKHMSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049391026 755247755 /nfs/dbraw/zinc/24/77/55/755247755.db2.gz FYTAXRHRAZNFDJ-OAGGEKHMSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391026 755247758 /nfs/dbraw/zinc/24/77/58/755247758.db2.gz FYTAXRHRAZNFDJ-OAGGEKHMSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391026 755247762 /nfs/dbraw/zinc/24/77/62/755247762.db2.gz FYTAXRHRAZNFDJ-OAGGEKHMSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097712859 755715774 /nfs/dbraw/zinc/71/57/74/755715774.db2.gz NIKSQIIMMGHMIT-WCVJEAGWSA-N 2 2 305.422 0.450 20 30 DCEDLP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097712859 755715778 /nfs/dbraw/zinc/71/57/78/755715778.db2.gz NIKSQIIMMGHMIT-WCVJEAGWSA-N 2 2 305.422 0.450 20 30 DCEDLP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097712859 755715781 /nfs/dbraw/zinc/71/57/81/755715781.db2.gz NIKSQIIMMGHMIT-WCVJEAGWSA-N 2 2 305.422 0.450 20 30 DCEDLP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097712859 755715785 /nfs/dbraw/zinc/71/57/85/755715785.db2.gz NIKSQIIMMGHMIT-WCVJEAGWSA-N 2 2 305.422 0.450 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)O2 ZINC001053698109 756150634 /nfs/dbraw/zinc/15/06/34/756150634.db2.gz DFPVCDIOUNHXSG-CABCVRRESA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698109 756150637 /nfs/dbraw/zinc/15/06/37/756150637.db2.gz DFPVCDIOUNHXSG-CABCVRRESA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803179 756213729 /nfs/dbraw/zinc/21/37/29/756213729.db2.gz MALQZEQHFAVROY-HOTGVXAUSA-N 2 2 319.449 0.864 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCCC)C2)C1 ZINC001053833267 756229719 /nfs/dbraw/zinc/22/97/19/756229719.db2.gz XZUUKEFXSCBMEH-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCCC)C2)C1 ZINC001053833267 756229720 /nfs/dbraw/zinc/22/97/20/756229720.db2.gz XZUUKEFXSCBMEH-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871002 756830030 /nfs/dbraw/zinc/83/00/30/756830030.db2.gz UEOXEIAZEDPNAG-NUEKZKHPSA-N 2 2 316.405 0.284 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871002 756830033 /nfs/dbraw/zinc/83/00/33/756830033.db2.gz UEOXEIAZEDPNAG-NUEKZKHPSA-N 2 2 316.405 0.284 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1 ZINC001083131583 757507969 /nfs/dbraw/zinc/50/79/69/757507969.db2.gz BSSREAYNZXVCIN-DLBZAZTESA-N 2 2 324.384 0.883 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@H]2C1 ZINC001083131583 757507973 /nfs/dbraw/zinc/50/79/73/757507973.db2.gz BSSREAYNZXVCIN-DLBZAZTESA-N 2 2 324.384 0.883 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144238 757523536 /nfs/dbraw/zinc/52/35/36/757523536.db2.gz WAVNOTSVTKRFSX-LSDHHAIUSA-N 2 2 302.378 0.126 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144238 757523542 /nfs/dbraw/zinc/52/35/42/757523542.db2.gz WAVNOTSVTKRFSX-LSDHHAIUSA-N 2 2 302.378 0.126 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722325 757985902 /nfs/dbraw/zinc/98/59/02/757985902.db2.gz KGQWOYZCAJPWIA-HZPDHXFCSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722325 757985906 /nfs/dbraw/zinc/98/59/06/757985906.db2.gz KGQWOYZCAJPWIA-HZPDHXFCSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001051996148 759097092 /nfs/dbraw/zinc/09/70/92/759097092.db2.gz KHJMIWWULMOCBK-IAGOWNOFSA-N 2 2 318.465 0.322 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001051996148 759097101 /nfs/dbraw/zinc/09/71/01/759097101.db2.gz KHJMIWWULMOCBK-IAGOWNOFSA-N 2 2 318.465 0.322 20 30 DCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001108410906 760500997 /nfs/dbraw/zinc/50/09/97/760500997.db2.gz VKXIJXRUVQPJID-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001108410906 760501006 /nfs/dbraw/zinc/50/10/06/760501006.db2.gz VKXIJXRUVQPJID-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001108410906 760501013 /nfs/dbraw/zinc/50/10/13/760501013.db2.gz VKXIJXRUVQPJID-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001108410906 760501020 /nfs/dbraw/zinc/50/10/20/760501020.db2.gz VKXIJXRUVQPJID-ZBFHGGJFSA-N 2 2 311.426 0.100 20 30 DCEDLP N#Cc1c(Cl)nc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066793 760568784 /nfs/dbraw/zinc/56/87/84/760568784.db2.gz JSFOJSBKZGJHGW-ZCFIWIBFSA-N 2 2 313.148 0.703 20 30 DCEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CCC[N@H+]3C)c2C1 ZINC001069854910 760900990 /nfs/dbraw/zinc/90/09/90/760900990.db2.gz DNMJHMNPMRQQAZ-HNNXBMFYSA-N 2 2 317.437 0.985 20 30 DCEDLP C=CCC[NH+]1CCn2ncc(CNC(=O)[C@@H]3CCC[N@@H+]3C)c2C1 ZINC001069854910 760901000 /nfs/dbraw/zinc/90/10/00/760901000.db2.gz DNMJHMNPMRQQAZ-HNNXBMFYSA-N 2 2 317.437 0.985 20 30 DCEDLP C=CCC[N@@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[NH+]3C)c2C1 ZINC001069854910 760901010 /nfs/dbraw/zinc/90/10/10/760901010.db2.gz DNMJHMNPMRQQAZ-HNNXBMFYSA-N 2 2 317.437 0.985 20 30 DCEDLP C=CCC[N@H+]1CCn2ncc(CNC(=O)[C@@H]3CCC[NH+]3C)c2C1 ZINC001069854910 760901013 /nfs/dbraw/zinc/90/10/13/760901013.db2.gz DNMJHMNPMRQQAZ-HNNXBMFYSA-N 2 2 317.437 0.985 20 30 DCEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001109113337 761255249 /nfs/dbraw/zinc/25/52/49/761255249.db2.gz JSFYLFNEPMCZLX-UGUYLWEFSA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001109113337 761255258 /nfs/dbraw/zinc/25/52/58/761255258.db2.gz JSFYLFNEPMCZLX-UGUYLWEFSA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001109113337 761255268 /nfs/dbraw/zinc/25/52/68/761255268.db2.gz JSFYLFNEPMCZLX-UGUYLWEFSA-N 2 2 323.437 0.241 20 30 DCEDLP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001109113337 761255274 /nfs/dbraw/zinc/25/52/74/761255274.db2.gz JSFYLFNEPMCZLX-UGUYLWEFSA-N 2 2 323.437 0.241 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090426642 761422484 /nfs/dbraw/zinc/42/24/84/761422484.db2.gz FKCIOBAWLUTFQF-DZGCQCFKSA-N 2 2 312.373 0.523 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090426642 761422488 /nfs/dbraw/zinc/42/24/88/761422488.db2.gz FKCIOBAWLUTFQF-DZGCQCFKSA-N 2 2 312.373 0.523 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449031 761422581 /nfs/dbraw/zinc/42/25/81/761422581.db2.gz BGYUWFRXYFTPTM-LTIDMASMSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449031 761422586 /nfs/dbraw/zinc/42/25/86/761422586.db2.gz BGYUWFRXYFTPTM-LTIDMASMSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449031 761422589 /nfs/dbraw/zinc/42/25/89/761422589.db2.gz BGYUWFRXYFTPTM-LTIDMASMSA-N 2 2 319.449 0.842 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449031 761422596 /nfs/dbraw/zinc/42/25/96/761422596.db2.gz BGYUWFRXYFTPTM-LTIDMASMSA-N 2 2 319.449 0.842 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](O)C1 ZINC001090434680 761665088 /nfs/dbraw/zinc/66/50/88/761665088.db2.gz AXCVYRPZDXLEIL-GDBMZVCRSA-N 2 2 318.421 0.499 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](O)C1 ZINC001090434680 761665094 /nfs/dbraw/zinc/66/50/94/761665094.db2.gz AXCVYRPZDXLEIL-GDBMZVCRSA-N 2 2 318.421 0.499 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071194928 761695580 /nfs/dbraw/zinc/69/55/80/761695580.db2.gz POQLGKCVTJBOGN-WBVHZDCISA-N 2 2 316.405 0.598 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071194928 761695583 /nfs/dbraw/zinc/69/55/83/761695583.db2.gz POQLGKCVTJBOGN-WBVHZDCISA-N 2 2 316.405 0.598 20 30 DCEDLP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098774168 762729570 /nfs/dbraw/zinc/72/95/70/762729570.db2.gz WBNDHNPIWBPSBB-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098774168 762729573 /nfs/dbraw/zinc/72/95/73/762729573.db2.gz WBNDHNPIWBPSBB-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774168 762729576 /nfs/dbraw/zinc/72/95/76/762729576.db2.gz WBNDHNPIWBPSBB-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774168 762729579 /nfs/dbraw/zinc/72/95/79/762729579.db2.gz WBNDHNPIWBPSBB-ZOBUZTSGSA-N 2 2 307.438 0.864 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939141 763144286 /nfs/dbraw/zinc/14/42/86/763144286.db2.gz ACIWORSEKPHDFZ-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939141 763144294 /nfs/dbraw/zinc/14/42/94/763144294.db2.gz ACIWORSEKPHDFZ-CABCVRRESA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069826 763950876 /nfs/dbraw/zinc/95/08/76/763950876.db2.gz XKLWDBHOBFNQGX-HSBZDZAISA-N 2 2 319.409 0.058 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025249 764185830 /nfs/dbraw/zinc/18/58/30/764185830.db2.gz NBGYYXSICKBPFB-CABCVRRESA-N 2 2 318.421 0.961 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025249 764185833 /nfs/dbraw/zinc/18/58/33/764185833.db2.gz NBGYYXSICKBPFB-CABCVRRESA-N 2 2 318.421 0.961 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+](CC)CC)c1nccn12 ZINC001101647868 764219248 /nfs/dbraw/zinc/21/92/48/764219248.db2.gz MCKMVWVWIKDWSP-AWEZNQCLSA-N 2 2 317.437 0.983 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441087 764462209 /nfs/dbraw/zinc/46/22/09/764462209.db2.gz KJBWHZLTIICJFC-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC[C@H]1C ZINC001132441087 764462214 /nfs/dbraw/zinc/46/22/14/764462214.db2.gz KJBWHZLTIICJFC-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441087 764462217 /nfs/dbraw/zinc/46/22/17/764462217.db2.gz KJBWHZLTIICJFC-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC[C@H]1C ZINC001132441087 764462224 /nfs/dbraw/zinc/46/22/24/764462224.db2.gz KJBWHZLTIICJFC-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490407 764484680 /nfs/dbraw/zinc/48/46/80/764484680.db2.gz UPMGJLCPZJQXDV-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132490407 764484681 /nfs/dbraw/zinc/48/46/81/764484681.db2.gz UPMGJLCPZJQXDV-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519196 764486866 /nfs/dbraw/zinc/48/68/66/764486866.db2.gz UXPSZZZJTOBWIP-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[C@H]1C ZINC001132519196 764486870 /nfs/dbraw/zinc/48/68/70/764486870.db2.gz UXPSZZZJTOBWIP-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519196 764486873 /nfs/dbraw/zinc/48/68/73/764486873.db2.gz UXPSZZZJTOBWIP-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132519196 764486880 /nfs/dbraw/zinc/48/68/80/764486880.db2.gz UXPSZZZJTOBWIP-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001112171641 765469168 /nfs/dbraw/zinc/46/91/68/765469168.db2.gz RZWWFOMANYJDGC-VXGBXAGGSA-N 2 2 314.311 0.954 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134544896 765562963 /nfs/dbraw/zinc/56/29/63/765562963.db2.gz JXRUBDMKPUYKGE-KBPBESRZSA-N 2 2 306.410 0.865 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134544896 765562969 /nfs/dbraw/zinc/56/29/69/765562969.db2.gz JXRUBDMKPUYKGE-KBPBESRZSA-N 2 2 306.410 0.865 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115339609 765701111 /nfs/dbraw/zinc/70/11/11/765701111.db2.gz BAUQECFZFYLZES-QLPKVWCKSA-N 2 2 318.421 0.912 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115339609 765701120 /nfs/dbraw/zinc/70/11/20/765701120.db2.gz BAUQECFZFYLZES-QLPKVWCKSA-N 2 2 318.421 0.912 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136030796 766213987 /nfs/dbraw/zinc/21/39/87/766213987.db2.gz BZDRMUYXKKIZSA-CHWSQXEVSA-N 2 2 306.410 0.783 20 30 DCEDLP C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001118796865 766436532 /nfs/dbraw/zinc/43/65/32/766436532.db2.gz CMMMSVXJXRNMFQ-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=C(C)CN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001118796865 766436539 /nfs/dbraw/zinc/43/65/39/766436539.db2.gz CMMMSVXJXRNMFQ-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP CC[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001120480996 767032667 /nfs/dbraw/zinc/03/26/67/767032667.db2.gz KHBWUWXIRHDXHZ-AWEZNQCLSA-N 2 2 322.434 0.658 20 30 DCEDLP CC[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC001120480996 767032678 /nfs/dbraw/zinc/03/26/78/767032678.db2.gz KHBWUWXIRHDXHZ-AWEZNQCLSA-N 2 2 322.434 0.658 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654592 768807781 /nfs/dbraw/zinc/80/77/81/768807781.db2.gz ZEDAOBPNMIONIX-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149654592 768807788 /nfs/dbraw/zinc/80/77/88/768807788.db2.gz ZEDAOBPNMIONIX-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012002 768925296 /nfs/dbraw/zinc/92/52/96/768925296.db2.gz DXWICOYWRLRTRO-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012002 768925302 /nfs/dbraw/zinc/92/53/02/768925302.db2.gz DXWICOYWRLRTRO-OAHLLOKOSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150664117 769154761 /nfs/dbraw/zinc/15/47/61/769154761.db2.gz QWTDUJXUCFNQAV-CQSZACIVSA-N 2 2 304.394 0.491 20 30 DCEDLP C#CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150664117 769154767 /nfs/dbraw/zinc/15/47/67/769154767.db2.gz QWTDUJXUCFNQAV-CQSZACIVSA-N 2 2 304.394 0.491 20 30 DCEDLP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150823933 769195442 /nfs/dbraw/zinc/19/54/42/769195442.db2.gz DCFRMXTUKMQQOB-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150823933 769195447 /nfs/dbraw/zinc/19/54/47/769195447.db2.gz DCFRMXTUKMQQOB-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CCC[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001151340064 769317070 /nfs/dbraw/zinc/31/70/70/769317070.db2.gz PRZVVCWSKXKWFI-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829150 770180196 /nfs/dbraw/zinc/18/01/96/770180196.db2.gz ISSNIZWQZPGOHE-HNNXBMFYSA-N 2 2 306.410 0.798 20 30 DCEDLP N#Cc1cc([N+](=O)[O-])cnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259648 771749199 /nfs/dbraw/zinc/74/91/99/771749199.db2.gz UMQCPOXDBAVOBB-LBPRGKRZSA-N 2 2 316.365 0.863 20 30 DCEDLP N#Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259648 771749203 /nfs/dbraw/zinc/74/92/03/771749203.db2.gz UMQCPOXDBAVOBB-LBPRGKRZSA-N 2 2 316.365 0.863 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1csnn1 ZINC001160197883 772006777 /nfs/dbraw/zinc/00/67/77/772006777.db2.gz MDXUANQEZKJQGV-ZDUSSCGKSA-N 2 2 307.423 0.232 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1csnn1 ZINC001160197883 772006782 /nfs/dbraw/zinc/00/67/82/772006782.db2.gz MDXUANQEZKJQGV-ZDUSSCGKSA-N 2 2 307.423 0.232 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC12CCOCC2 ZINC001186568961 772056848 /nfs/dbraw/zinc/05/68/48/772056848.db2.gz DGYBKVOJKFMBCV-OAHLLOKOSA-N 2 2 318.421 0.914 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309740 772201648 /nfs/dbraw/zinc/20/16/48/772201648.db2.gz PZYPSBDBDKUORR-AWEZNQCLSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001164495873 772668647 /nfs/dbraw/zinc/66/86/47/772668647.db2.gz AZBDRIDFKKCHEV-MRXNPFEDSA-N 2 2 307.438 0.749 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001164495873 772668648 /nfs/dbraw/zinc/66/86/48/772668648.db2.gz AZBDRIDFKKCHEV-MRXNPFEDSA-N 2 2 307.438 0.749 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924310 773346502 /nfs/dbraw/zinc/34/65/02/773346502.db2.gz LAVZOXCLENHWIS-ZDUSSCGKSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001196091018 773537780 /nfs/dbraw/zinc/53/77/80/773537780.db2.gz RBHOXCNRHCOIMK-NWANDNLSSA-N 2 2 318.421 0.957 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001196091018 773537783 /nfs/dbraw/zinc/53/77/83/773537783.db2.gz RBHOXCNRHCOIMK-NWANDNLSSA-N 2 2 318.421 0.957 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001197150561 773705295 /nfs/dbraw/zinc/70/52/95/773705295.db2.gz SKWIPEOXTAQUNF-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001197150561 773705298 /nfs/dbraw/zinc/70/52/98/773705298.db2.gz SKWIPEOXTAQUNF-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197150561 773705299 /nfs/dbraw/zinc/70/52/99/773705299.db2.gz SKWIPEOXTAQUNF-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197150561 773705301 /nfs/dbraw/zinc/70/53/01/773705301.db2.gz SKWIPEOXTAQUNF-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097193 774029232 /nfs/dbraw/zinc/02/92/32/774029232.db2.gz XGYFGQAGRVBTBI-BZUAXINKSA-N 2 2 307.438 0.291 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097193 774029235 /nfs/dbraw/zinc/02/92/35/774029235.db2.gz XGYFGQAGRVBTBI-BZUAXINKSA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127467 774033365 /nfs/dbraw/zinc/03/33/65/774033365.db2.gz DKOXSHUJRRETOJ-OAGGEKHMSA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127467 774033369 /nfs/dbraw/zinc/03/33/69/774033369.db2.gz DKOXSHUJRRETOJ-OAGGEKHMSA-N 2 2 307.438 0.291 20 30 DCEDLP N#Cc1cnc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(Br)c1 ZINC001218551280 774244971 /nfs/dbraw/zinc/24/49/71/774244971.db2.gz ATXCDTHYBSQKAN-CBAPKCEASA-N 2 2 310.155 0.343 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCCO1 ZINC001200786589 774408917 /nfs/dbraw/zinc/40/89/17/774408917.db2.gz HCBDZPZTBPHQCU-HNNXBMFYSA-N 2 2 318.421 0.767 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200956258 774436261 /nfs/dbraw/zinc/43/62/61/774436261.db2.gz ZOIIFSJCPVCOAS-AWEZNQCLSA-N 2 2 312.373 0.788 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCO1 ZINC001201439468 774514886 /nfs/dbraw/zinc/51/48/86/774514886.db2.gz VSPDPKBBCCGISC-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP N#Cc1ccccc1OCCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220685168 774890454 /nfs/dbraw/zinc/89/04/54/774890454.db2.gz QQHBQHWYHOUOFY-CPUCHLNUSA-N 2 2 314.389 0.665 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222099083 775269777 /nfs/dbraw/zinc/26/97/77/775269777.db2.gz UYAKIZVVXTVBKP-HUUCEWRRSA-N 2 2 304.394 0.618 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222099083 775269783 /nfs/dbraw/zinc/26/97/83/775269783.db2.gz UYAKIZVVXTVBKP-HUUCEWRRSA-N 2 2 304.394 0.618 20 30 DCEDLP COCC#CC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227099448 775928270 /nfs/dbraw/zinc/92/82/70/775928270.db2.gz HBDNPESLZOJYDD-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)CC1 ZINC001228985363 776144553 /nfs/dbraw/zinc/14/45/53/776144553.db2.gz YMMWIAMWPFFZQL-HNNXBMFYSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)CC1 ZINC001228985363 776144559 /nfs/dbraw/zinc/14/45/59/776144559.db2.gz YMMWIAMWPFFZQL-HNNXBMFYSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480878277 939138093 /nfs/dbraw/zinc/13/80/93/939138093.db2.gz CFFJZUDUZFWCGI-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480878277 939138094 /nfs/dbraw/zinc/13/80/94/939138094.db2.gz CFFJZUDUZFWCGI-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480878277 939138095 /nfs/dbraw/zinc/13/80/95/939138095.db2.gz CFFJZUDUZFWCGI-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480878277 939138096 /nfs/dbraw/zinc/13/80/96/939138096.db2.gz CFFJZUDUZFWCGI-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266942533 939284749 /nfs/dbraw/zinc/28/47/49/939284749.db2.gz YJCFAFIRYFSFPX-CQSZACIVSA-N 2 2 318.421 0.506 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267084859 939335208 /nfs/dbraw/zinc/33/52/08/939335208.db2.gz DWCOQLZIKHXAFW-CVEARBPZSA-N 2 2 318.421 0.940 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001267552803 939499065 /nfs/dbraw/zinc/49/90/65/939499065.db2.gz UCMRTJAUBIYUAR-MRXNPFEDSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001267552803 939499066 /nfs/dbraw/zinc/49/90/66/939499066.db2.gz UCMRTJAUBIYUAR-MRXNPFEDSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001267764065 939668817 /nfs/dbraw/zinc/66/88/17/939668817.db2.gz OCANOHITDBOEEM-UHFFFAOYSA-N 2 2 318.421 0.703 20 30 DCEDLP COCC#CC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001267764065 939668819 /nfs/dbraw/zinc/66/88/19/939668819.db2.gz OCANOHITDBOEEM-UHFFFAOYSA-N 2 2 318.421 0.703 20 30 DCEDLP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001496389022 939762002 /nfs/dbraw/zinc/76/20/02/939762002.db2.gz INTKVAGRHHXHQH-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001496389022 939762004 /nfs/dbraw/zinc/76/20/04/939762004.db2.gz INTKVAGRHHXHQH-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001318344691 945329875 /nfs/dbraw/zinc/32/98/75/945329875.db2.gz GUUBBRBMTKNPPI-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001318344691 945329883 /nfs/dbraw/zinc/32/98/83/945329883.db2.gz GUUBBRBMTKNPPI-CQSZACIVSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083615 940613958 /nfs/dbraw/zinc/61/39/58/940613958.db2.gz FWNBICXYIAIGCW-HUUCEWRRSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nccn1C ZINC001270994143 941236969 /nfs/dbraw/zinc/23/69/69/941236969.db2.gz BJHNDIGHPFQCKM-CABCVRRESA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nccn1C ZINC001270994143 941236970 /nfs/dbraw/zinc/23/69/70/941236970.db2.gz BJHNDIGHPFQCKM-CABCVRRESA-N 2 2 317.437 0.454 20 30 DCEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001483572710 942434062 /nfs/dbraw/zinc/43/40/62/942434062.db2.gz YMGSXQWFTFQNNH-CABCVRRESA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001272333673 942694357 /nfs/dbraw/zinc/69/43/57/942694357.db2.gz YEQHZCUABHOIMX-GJZGRUSLSA-N 2 2 318.421 0.785 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001483746912 942850118 /nfs/dbraw/zinc/85/01/18/942850118.db2.gz CJZQYFLELMXDDS-AWEZNQCLSA-N 2 2 316.405 0.334 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001484222100 943215841 /nfs/dbraw/zinc/21/58/41/943215841.db2.gz BCEWXLKQDYHEGG-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001484222100 943215842 /nfs/dbraw/zinc/21/58/42/943215842.db2.gz BCEWXLKQDYHEGG-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484242775 943248882 /nfs/dbraw/zinc/24/88/82/943248882.db2.gz ZDRVUGVUTFNDDL-CJNGLKHVSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001484242775 943248889 /nfs/dbraw/zinc/24/88/89/943248889.db2.gz ZDRVUGVUTFNDDL-CJNGLKHVSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484242775 943248893 /nfs/dbraw/zinc/24/88/93/943248893.db2.gz ZDRVUGVUTFNDDL-CJNGLKHVSA-N 2 2 306.410 0.717 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001484242775 943248898 /nfs/dbraw/zinc/24/88/98/943248898.db2.gz ZDRVUGVUTFNDDL-CJNGLKHVSA-N 2 2 306.410 0.717 20 30 DCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484527041 943440517 /nfs/dbraw/zinc/44/05/17/943440517.db2.gz KGXDYDKPPFBGIW-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCCC[NH+]1CC(N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001484947229 943629758 /nfs/dbraw/zinc/62/97/58/943629758.db2.gz XAWJYKGKALBQCS-UHFFFAOYSA-N 2 2 317.437 0.747 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001485356910 943891082 /nfs/dbraw/zinc/89/10/82/943891082.db2.gz MHIYSBGFPZXFPO-LSDHHAIUSA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001485356910 943891091 /nfs/dbraw/zinc/89/10/91/943891091.db2.gz MHIYSBGFPZXFPO-LSDHHAIUSA-N 2 2 306.410 0.921 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001485639531 944058789 /nfs/dbraw/zinc/05/87/89/944058789.db2.gz DWCOFVKKRTUFCN-KGLIPLIRSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486010073 944495430 /nfs/dbraw/zinc/49/54/30/944495430.db2.gz GEKWVJAKXKFUML-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317487256 944996255 /nfs/dbraw/zinc/99/62/55/944996255.db2.gz IVFFUERRSSOFCL-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP CC[N@H+](CC#CCOC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317487256 944996261 /nfs/dbraw/zinc/99/62/61/944996261.db2.gz IVFFUERRSSOFCL-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001318701580 945429249 /nfs/dbraw/zinc/42/92/49/945429249.db2.gz LIQKXBBJJKKNIE-CXAGYDPISA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001319329729 945562425 /nfs/dbraw/zinc/56/24/25/945562425.db2.gz GLWZQKBHDMBMBG-OAHLLOKOSA-N 2 2 323.437 0.102 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001319329729 945562430 /nfs/dbraw/zinc/56/24/30/945562430.db2.gz GLWZQKBHDMBMBG-OAHLLOKOSA-N 2 2 323.437 0.102 20 30 DCEDLP C#CC[N@H+](CC1CC1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001319672671 945641858 /nfs/dbraw/zinc/64/18/58/945641858.db2.gz XKYIMXYMAJSINZ-UHFFFAOYSA-N 2 2 304.394 0.305 20 30 DCEDLP C#CC[N@@H+](CC1CC1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001319672671 945641860 /nfs/dbraw/zinc/64/18/60/945641860.db2.gz XKYIMXYMAJSINZ-UHFFFAOYSA-N 2 2 304.394 0.305 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278602598 945676704 /nfs/dbraw/zinc/67/67/04/945676704.db2.gz SPHHMXTUIAEYNX-KGLIPLIRSA-N 2 2 304.394 0.477 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001321128618 946181307 /nfs/dbraw/zinc/18/13/07/946181307.db2.gz XRGWRFPTPKFIID-FAAWYNLUSA-N 2 2 316.405 0.357 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278865405 946496766 /nfs/dbraw/zinc/49/67/66/946496766.db2.gz XHSXBQHSNKXPIP-HOCLYGCPSA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278865405 946496770 /nfs/dbraw/zinc/49/67/70/946496770.db2.gz XHSXBQHSNKXPIP-HOCLYGCPSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCN1CC[NH+](C)C2(CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001255487243 946515627 /nfs/dbraw/zinc/51/56/27/946515627.db2.gz YZCMHHIOEVQNGV-MRXNPFEDSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+](C)C2(CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001255487243 946515633 /nfs/dbraw/zinc/51/56/33/946515633.db2.gz YZCMHHIOEVQNGV-MRXNPFEDSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[N@@H+](C)C2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255487243 946515637 /nfs/dbraw/zinc/51/56/37/946515637.db2.gz YZCMHHIOEVQNGV-MRXNPFEDSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[N@H+](C)C2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255487243 946515642 /nfs/dbraw/zinc/51/56/42/946515642.db2.gz YZCMHHIOEVQNGV-MRXNPFEDSA-N 2 2 320.481 0.875 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCC=C)C1 ZINC001325102265 947654936 /nfs/dbraw/zinc/65/49/36/947654936.db2.gz MFGILFRJUYKEKX-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCC=C)C1 ZINC001325102265 947654943 /nfs/dbraw/zinc/65/49/43/947654943.db2.gz MFGILFRJUYKEKX-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCC=C)C1 ZINC001325102265 947654950 /nfs/dbraw/zinc/65/49/50/947654950.db2.gz MFGILFRJUYKEKX-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCC=C)C1 ZINC001325102265 947654955 /nfs/dbraw/zinc/65/49/55/947654955.db2.gz MFGILFRJUYKEKX-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001325232364 947720914 /nfs/dbraw/zinc/72/09/14/947720914.db2.gz IBTKEJATVGQIOK-OAHLLOKOSA-N 2 2 309.454 0.846 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001325232364 947720918 /nfs/dbraw/zinc/72/09/18/947720918.db2.gz IBTKEJATVGQIOK-OAHLLOKOSA-N 2 2 309.454 0.846 20 30 DCEDLP C#CCCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273543315 947951461 /nfs/dbraw/zinc/95/14/61/947951461.db2.gz XPUDYCFEYOASIM-QGZVFWFLSA-N 2 2 316.405 0.637 20 30 DCEDLP C#CCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273543315 947951472 /nfs/dbraw/zinc/95/14/72/947951472.db2.gz XPUDYCFEYOASIM-QGZVFWFLSA-N 2 2 316.405 0.637 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273885804 948654766 /nfs/dbraw/zinc/65/47/66/948654766.db2.gz SBDVGLQRYOLVQB-HOCLYGCPSA-N 2 2 304.394 0.354 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273885804 948654772 /nfs/dbraw/zinc/65/47/72/948654772.db2.gz SBDVGLQRYOLVQB-HOCLYGCPSA-N 2 2 304.394 0.354 20 30 DCEDLP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001273928849 948686843 /nfs/dbraw/zinc/68/68/43/948686843.db2.gz FVERVDDOUSUUDL-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001264404736 948961480 /nfs/dbraw/zinc/96/14/80/948961480.db2.gz KQCWHNWONALJKF-RWMBFGLXSA-N 2 2 319.409 0.127 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001280660360 951023128 /nfs/dbraw/zinc/02/31/28/951023128.db2.gz WSNKVWXNPFNVAP-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001331238222 951036267 /nfs/dbraw/zinc/03/62/67/951036267.db2.gz XKOOSKYGSJONFF-AWEZNQCLSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000886573404 951303448 /nfs/dbraw/zinc/30/34/48/951303448.db2.gz HRVMVJYUUGPMDH-PEZBUJJGSA-N 2 2 319.449 0.821 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC2)C1 ZINC001281578984 951548564 /nfs/dbraw/zinc/54/85/64/951548564.db2.gz XIIIDRLPHLWGAT-MRXNPFEDSA-N 2 2 324.444 0.128 20 30 DCEDLP C=C[C@](C)(O)C[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274617278 951744197 /nfs/dbraw/zinc/74/41/97/951744197.db2.gz WTVOQKLPRAZDPP-IRXDYDNUSA-N 2 2 318.421 0.924 20 30 DCEDLP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274617278 951744203 /nfs/dbraw/zinc/74/42/03/951744203.db2.gz WTVOQKLPRAZDPP-IRXDYDNUSA-N 2 2 318.421 0.924 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001276075932 952891155 /nfs/dbraw/zinc/89/11/55/952891155.db2.gz QBFKAKZSKWNRRU-GJZGRUSLSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001276075932 952891156 /nfs/dbraw/zinc/89/11/56/952891156.db2.gz QBFKAKZSKWNRRU-GJZGRUSLSA-N 2 2 307.438 0.293 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001284430093 955086325 /nfs/dbraw/zinc/08/63/25/955086325.db2.gz NYXKVCHHGBJITQ-HOCLYGCPSA-N 2 2 320.437 0.821 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001284658058 955217363 /nfs/dbraw/zinc/21/73/63/955217363.db2.gz PXMUEZUXNBUZGU-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001284658058 955217373 /nfs/dbraw/zinc/21/73/73/955217373.db2.gz PXMUEZUXNBUZGU-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C3CC3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001286478354 956278925 /nfs/dbraw/zinc/27/89/25/956278925.db2.gz AMOPIBCJEJBOQM-AWEZNQCLSA-N 2 2 316.453 0.861 20 30 DCEDLP C=C(Cl)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001377200904 959679196 /nfs/dbraw/zinc/67/91/96/959679196.db2.gz JXAXWHWLXYCCJA-UHFFFAOYSA-N 2 2 312.801 0.960 20 30 DCEDLP N#CCN1CC[NH+](CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001316967550 960327396 /nfs/dbraw/zinc/32/73/96/960327396.db2.gz FEEZFNHNXPNGCM-UHFFFAOYSA-N 2 2 321.469 0.510 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001378387744 960686418 /nfs/dbraw/zinc/68/64/18/960686418.db2.gz PJKMHAQQUSRPNR-DZGCQCFKSA-N 2 2 315.845 0.944 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001378387744 960686429 /nfs/dbraw/zinc/68/64/29/960686429.db2.gz PJKMHAQQUSRPNR-DZGCQCFKSA-N 2 2 315.845 0.944 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001375751519 964794783 /nfs/dbraw/zinc/79/47/83/964794783.db2.gz UCBONUQYVOIWQY-QWHCGFSZSA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001375751519 964794790 /nfs/dbraw/zinc/79/47/90/964794790.db2.gz UCBONUQYVOIWQY-QWHCGFSZSA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390317051 989989701 /nfs/dbraw/zinc/98/97/01/989989701.db2.gz GCZVYTXPXTXRPO-QWRGUYRKSA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390317051 989989713 /nfs/dbraw/zinc/98/97/13/989989713.db2.gz GCZVYTXPXTXRPO-QWRGUYRKSA-N 2 2 320.231 0.320 20 30 DCEDLP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001502593420 1015987252 /nfs/dbraw/zinc/98/72/52/1015987252.db2.gz GWZANOIZGKPHPX-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001507293684 1016226185 /nfs/dbraw/zinc/22/61/85/1016226185.db2.gz VAEAPYWYSJTQIJ-CHWSQXEVSA-N 2 2 319.409 0.142 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001420203118 1002032082 /nfs/dbraw/zinc/03/20/82/1002032082.db2.gz PHNGJVCHUZWCSR-LBPRGKRZSA-N 2 2 300.790 0.172 20 30 DCEDLP C=CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001508045033 1016623880 /nfs/dbraw/zinc/62/38/80/1016623880.db2.gz GAGYFXCKBKMOEL-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCOC ZINC001508045033 1016623883 /nfs/dbraw/zinc/62/38/83/1016623883.db2.gz GAGYFXCKBKMOEL-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001403899478 1002706789 /nfs/dbraw/zinc/70/67/89/1002706789.db2.gz FIRKSCYTNAYGMB-UONOGXRCSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001403899478 1002706798 /nfs/dbraw/zinc/70/67/98/1002706798.db2.gz FIRKSCYTNAYGMB-UONOGXRCSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001403899478 1002706810 /nfs/dbraw/zinc/70/68/10/1002706810.db2.gz FIRKSCYTNAYGMB-UONOGXRCSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001403899478 1002706822 /nfs/dbraw/zinc/70/68/22/1002706822.db2.gz FIRKSCYTNAYGMB-UONOGXRCSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001407857838 1004905156 /nfs/dbraw/zinc/90/51/56/1004905156.db2.gz FRDXPXOYOPJLQV-ZDUSSCGKSA-N 2 2 312.801 0.532 20 30 DCEDLP N#Cc1ccccc1C[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001441799200 1008509361 /nfs/dbraw/zinc/50/93/61/1008509361.db2.gz QQZAVNFJDRKGLF-INIZCTEOSA-N 2 2 316.405 0.221 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001442025029 1008829726 /nfs/dbraw/zinc/82/97/26/1008829726.db2.gz QUHVVWUURBZINO-ZDUSSCGKSA-N 2 2 314.817 0.514 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001506622872 1017416332 /nfs/dbraw/zinc/41/63/32/1017416332.db2.gz PDSXIDYHDAMGDB-UMVBOHGHSA-N 2 2 322.453 0.065 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001506622872 1017416341 /nfs/dbraw/zinc/41/63/41/1017416341.db2.gz PDSXIDYHDAMGDB-UMVBOHGHSA-N 2 2 322.453 0.065 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507005253 1017756368 /nfs/dbraw/zinc/75/63/68/1017756368.db2.gz YYXBOVCGRSYYEO-KBPBESRZSA-N 2 2 315.845 0.896 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507005253 1017756381 /nfs/dbraw/zinc/75/63/81/1017756381.db2.gz YYXBOVCGRSYYEO-KBPBESRZSA-N 2 2 315.845 0.896 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOCC=C)C1 ZINC001479955177 1018042603 /nfs/dbraw/zinc/04/26/03/1018042603.db2.gz MRAUOPOVJRKAGR-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOCC=C)C1 ZINC001479955177 1018042618 /nfs/dbraw/zinc/04/26/18/1018042618.db2.gz MRAUOPOVJRKAGR-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC=C)C1 ZINC001479955177 1018042628 /nfs/dbraw/zinc/04/26/28/1018042628.db2.gz MRAUOPOVJRKAGR-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOCC=C)C1 ZINC001479955177 1018042637 /nfs/dbraw/zinc/04/26/37/1018042637.db2.gz MRAUOPOVJRKAGR-HOTGVXAUSA-N 2 2 305.422 0.477 20 30 DCEDLP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500619941 1018512653 /nfs/dbraw/zinc/51/26/53/1018512653.db2.gz DKHNOSWXACSDFR-ZDUSSCGKSA-N 2 2 310.348 0.980 20 30 DCEDLP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500619941 1018512665 /nfs/dbraw/zinc/51/26/65/1018512665.db2.gz DKHNOSWXACSDFR-ZDUSSCGKSA-N 2 2 310.348 0.980 20 30 DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001500693220 1018583087 /nfs/dbraw/zinc/58/30/87/1018583087.db2.gz TYUJOOAVOMTRIQ-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001500693220 1018583094 /nfs/dbraw/zinc/58/30/94/1018583094.db2.gz TYUJOOAVOMTRIQ-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001663508878 1174312360 /nfs/dbraw/zinc/31/23/60/1174312360.db2.gz VBMOOJHTSNPISW-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001663508878 1174312366 /nfs/dbraw/zinc/31/23/66/1174312366.db2.gz VBMOOJHTSNPISW-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001663508878 1174312371 /nfs/dbraw/zinc/31/23/71/1174312371.db2.gz VBMOOJHTSNPISW-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001663508878 1174312376 /nfs/dbraw/zinc/31/23/76/1174312376.db2.gz VBMOOJHTSNPISW-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1(C#N)CCC1 ZINC000363898439 239115477 /nfs/dbraw/zinc/11/54/77/239115477.db2.gz BOWOCGWEPUBDJB-QLFBSQMISA-N 2 2 320.437 0.732 20 30 DCEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1(C#N)CCC1 ZINC000363898439 239115483 /nfs/dbraw/zinc/11/54/83/239115483.db2.gz BOWOCGWEPUBDJB-QLFBSQMISA-N 2 2 320.437 0.732 20 30 DCEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC[NH+]2CCCC2)nc1 ZINC000561853971 396647808 /nfs/dbraw/zinc/64/78/08/396647808.db2.gz PCJGULCDKWEHAX-UHFFFAOYSA-N 2 2 322.434 0.802 20 30 DCEDLP N#CCCC[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000595946739 396690570 /nfs/dbraw/zinc/69/05/70/396690570.db2.gz YGOXVYCQXXGMIK-HNNXBMFYSA-N 2 2 308.426 0.578 20 30 DCEDLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598718937 397283507 /nfs/dbraw/zinc/28/35/07/397283507.db2.gz HTWYUVLUVXRYRB-AWEZNQCLSA-N 2 2 310.442 0.429 20 30 DCEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000602593555 397444991 /nfs/dbraw/zinc/44/49/91/397444991.db2.gz JJJXENQUOQHNPZ-HUUCEWRRSA-N 2 2 308.426 0.449 20 30 DCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000491202241 397501308 /nfs/dbraw/zinc/50/13/08/397501308.db2.gz NAAFPIGMGQLLFH-HOTGVXAUSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CCNC(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000491202241 397501309 /nfs/dbraw/zinc/50/13/09/397501309.db2.gz NAAFPIGMGQLLFH-HOTGVXAUSA-N 2 2 306.454 0.084 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000104154623 415622853 /nfs/dbraw/zinc/62/28/53/415622853.db2.gz MEEXWMLDVAZPCU-HOCLYGCPSA-N 2 2 320.437 0.827 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000104154623 415622862 /nfs/dbraw/zinc/62/28/62/415622862.db2.gz MEEXWMLDVAZPCU-HOCLYGCPSA-N 2 2 320.437 0.827 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368581 415667304 /nfs/dbraw/zinc/66/73/04/415667304.db2.gz MKAZHBBMCZKQGM-QGZVFWFLSA-N 2 2 320.481 0.899 20 30 DCEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107368581 415667322 /nfs/dbraw/zinc/66/73/22/415667322.db2.gz MKAZHBBMCZKQGM-QGZVFWFLSA-N 2 2 320.481 0.899 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](OCC(C)C)C2)CC1 ZINC000119657828 415752298 /nfs/dbraw/zinc/75/22/98/415752298.db2.gz TYNQRZYIABJCFB-MRXNPFEDSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](OCC(C)C)C2)CC1 ZINC000119657828 415752304 /nfs/dbraw/zinc/75/23/04/415752304.db2.gz TYNQRZYIABJCFB-MRXNPFEDSA-N 2 2 307.438 0.511 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337170795 415921369 /nfs/dbraw/zinc/92/13/69/415921369.db2.gz DFQPIMOCNKRYQY-IKGGRYGDSA-N 2 2 320.481 0.731 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337170795 415921373 /nfs/dbraw/zinc/92/13/73/415921373.db2.gz DFQPIMOCNKRYQY-IKGGRYGDSA-N 2 2 320.481 0.731 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347228923 416214913 /nfs/dbraw/zinc/21/49/13/416214913.db2.gz ZNWJXWFYBJSFFJ-GXTWGEPZSA-N 2 2 318.377 0.935 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347228923 416214916 /nfs/dbraw/zinc/21/49/16/416214916.db2.gz ZNWJXWFYBJSFFJ-GXTWGEPZSA-N 2 2 318.377 0.935 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350909 416418609 /nfs/dbraw/zinc/41/86/09/416418609.db2.gz IJXXRLNMPPXDOY-QWHCGFSZSA-N 2 2 311.451 0.903 20 30 DCEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350909 416418611 /nfs/dbraw/zinc/41/86/11/416418611.db2.gz IJXXRLNMPPXDOY-QWHCGFSZSA-N 2 2 311.451 0.903 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H](OC)C23CCC3)CC1 ZINC000491338358 416596268 /nfs/dbraw/zinc/59/62/68/416596268.db2.gz HZBQTONQJVBVGC-CABCVRRESA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)CC1 ZINC000490741496 416574952 /nfs/dbraw/zinc/57/49/52/416574952.db2.gz SCYGREBNPXJFMA-UHFFFAOYSA-N 3 2 320.481 0.428 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC000491803237 416630627 /nfs/dbraw/zinc/63/06/27/416630627.db2.gz IBRVDUUYEPXGHS-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC000491803237 416630631 /nfs/dbraw/zinc/63/06/31/416630631.db2.gz IBRVDUUYEPXGHS-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CC[C@]1(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CCC[NH2+]1 ZINC000662790846 417906166 /nfs/dbraw/zinc/90/61/66/417906166.db2.gz MVDSYQQHMKOPJT-QGZVFWFLSA-N 2 2 317.437 0.763 20 30 DCEDLP C=CCCn1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1 ZINC000655939095 418304568 /nfs/dbraw/zinc/30/45/68/418304568.db2.gz JTQMGUQEJPCRKS-HNNXBMFYSA-N 2 2 320.441 0.674 20 30 DCEDLP C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1 ZINC000655939095 418304571 /nfs/dbraw/zinc/30/45/71/418304571.db2.gz JTQMGUQEJPCRKS-HNNXBMFYSA-N 2 2 320.441 0.674 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262250874 276184300 /nfs/dbraw/zinc/18/43/00/276184300.db2.gz POZPMLUMJGUFRT-STQMWFEESA-N 2 2 316.471 0.342 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262250874 276184301 /nfs/dbraw/zinc/18/43/01/276184301.db2.gz POZPMLUMJGUFRT-STQMWFEESA-N 2 2 316.471 0.342 20 30 DCEDLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330175127 336120761 /nfs/dbraw/zinc/12/07/61/336120761.db2.gz IUXZRDVQGGIIPH-KGLIPLIRSA-N 2 2 321.425 0.802 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]CC(CC)(CC)C(=O)OC)CC1 ZINC000120688878 337879374 /nfs/dbraw/zinc/87/93/74/337879374.db2.gz GCMUOYBCUDOTJR-UHFFFAOYSA-N 2 2 323.437 0.333 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(CCO)CCCCC2)CC1 ZINC000490866742 339842330 /nfs/dbraw/zinc/84/23/30/339842330.db2.gz SUVHWPHQDWVPKU-UHFFFAOYSA-N 2 2 307.438 0.439 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000491515425 339865142 /nfs/dbraw/zinc/86/51/42/339865142.db2.gz NSLGRQPBUPOQFW-UHFFFAOYSA-N 2 2 306.454 0.229 20 30 DCEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(C(C)=O)CC1 ZINC000263248940 526387999 /nfs/dbraw/zinc/38/79/99/526387999.db2.gz OBJWHPPITUPUQL-UHFFFAOYSA-N 2 2 318.425 0.459 20 30 DCEDLP C[NH+]=C(NCc1nncn1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948919 526393639 /nfs/dbraw/zinc/39/36/39/526393639.db2.gz GTBJPCKTGLCPAL-QWHCGFSZSA-N 2 2 316.413 0.670 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000283288938 526417224 /nfs/dbraw/zinc/41/72/24/526417224.db2.gz OQLJMUFIBKIMIV-UHFFFAOYSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164253 526609524 /nfs/dbraw/zinc/60/95/24/526609524.db2.gz IGOMDMOXAUGEGG-KBPBESRZSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246164253 526609530 /nfs/dbraw/zinc/60/95/30/526609530.db2.gz IGOMDMOXAUGEGG-KBPBESRZSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676245301 547752476 /nfs/dbraw/zinc/75/24/76/547752476.db2.gz GXQBESAZDLRNKD-UKRRQHHQSA-N 2 2 310.442 0.655 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676245301 547752480 /nfs/dbraw/zinc/75/24/80/547752480.db2.gz GXQBESAZDLRNKD-UKRRQHHQSA-N 2 2 310.442 0.655 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420506 657486734 /nfs/dbraw/zinc/48/67/34/657486734.db2.gz PJHBIVYPLKYVCB-GXTWGEPZSA-N 2 2 300.406 0.824 20 30 DCEDLP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972558291 657808975 /nfs/dbraw/zinc/80/89/75/657808975.db2.gz NUWZWWFUOUSYLX-CQSZACIVSA-N 2 2 315.845 0.994 20 30 DCEDLP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972558291 657808979 /nfs/dbraw/zinc/80/89/79/657808979.db2.gz NUWZWWFUOUSYLX-CQSZACIVSA-N 2 2 315.845 0.994 20 30 DCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969996396 658328295 /nfs/dbraw/zinc/32/82/95/658328295.db2.gz IKIHWTRSZIBLIZ-ZIAGYGMSSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000972458924 658806687 /nfs/dbraw/zinc/80/66/87/658806687.db2.gz WSMSECFILXOIFW-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000972458924 658806701 /nfs/dbraw/zinc/80/67/01/658806701.db2.gz WSMSECFILXOIFW-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000970323293 658859662 /nfs/dbraw/zinc/85/96/62/658859662.db2.gz KELGXWMQLFLCNX-WMLDXEAASA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000970323293 658859668 /nfs/dbraw/zinc/85/96/68/658859668.db2.gz KELGXWMQLFLCNX-WMLDXEAASA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972493119 658909558 /nfs/dbraw/zinc/90/95/58/658909558.db2.gz BMVDNWCUDFPGLL-GOSISDBHSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972493119 658909561 /nfs/dbraw/zinc/90/95/61/658909561.db2.gz BMVDNWCUDFPGLL-GOSISDBHSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028923535 661889972 /nfs/dbraw/zinc/88/99/72/661889972.db2.gz DQILCQJCCKEROU-CQSZACIVSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001028923535 661889976 /nfs/dbraw/zinc/88/99/76/661889976.db2.gz DQILCQJCCKEROU-CQSZACIVSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001029342312 662111265 /nfs/dbraw/zinc/11/12/65/662111265.db2.gz JCSHUOIBTLTSOW-JONQDZQNSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001029342312 662111266 /nfs/dbraw/zinc/11/12/66/662111266.db2.gz JCSHUOIBTLTSOW-JONQDZQNSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)O ZINC001029342312 662111267 /nfs/dbraw/zinc/11/12/67/662111267.db2.gz JCSHUOIBTLTSOW-JONQDZQNSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)O ZINC001029342312 662111268 /nfs/dbraw/zinc/11/12/68/662111268.db2.gz JCSHUOIBTLTSOW-JONQDZQNSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000951365649 662824298 /nfs/dbraw/zinc/82/42/98/662824298.db2.gz PKKVHKTVMQPRBY-MRXNPFEDSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000951365649 662824300 /nfs/dbraw/zinc/82/43/00/662824300.db2.gz PKKVHKTVMQPRBY-MRXNPFEDSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941553641 666019195 /nfs/dbraw/zinc/01/91/95/666019195.db2.gz QOAWQUKYVVZEDS-MRXNPFEDSA-N 2 2 306.454 0.034 20 30 DCEDLP C=C(C)CC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941585774 666025855 /nfs/dbraw/zinc/02/58/55/666025855.db2.gz PVWNMKUUAMQBMP-UHFFFAOYSA-N 2 2 317.437 0.747 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000996909211 667011118 /nfs/dbraw/zinc/01/11/18/667011118.db2.gz FMNAVGXIOQMUAP-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000996909211 667011119 /nfs/dbraw/zinc/01/11/19/667011119.db2.gz FMNAVGXIOQMUAP-QGZVFWFLSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001035515823 667363683 /nfs/dbraw/zinc/36/36/83/667363683.db2.gz JVMWQQXXHGRRDC-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001035515823 667363684 /nfs/dbraw/zinc/36/36/84/667363684.db2.gz JVMWQQXXHGRRDC-RRFJBIMHSA-N 2 2 318.421 0.917 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CC2 ZINC001035776225 667411579 /nfs/dbraw/zinc/41/15/79/667411579.db2.gz NDLCUHAWBNJDEJ-INIZCTEOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CC2 ZINC001035776225 667411580 /nfs/dbraw/zinc/41/15/80/667411580.db2.gz NDLCUHAWBNJDEJ-INIZCTEOSA-N 2 2 319.449 0.653 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035836517 667414017 /nfs/dbraw/zinc/41/40/17/667414017.db2.gz KJPHVJAFUFUNKL-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cn1cc[nH+]c1 ZINC000884196184 667494799 /nfs/dbraw/zinc/49/47/99/667494799.db2.gz KHKVPPMKYJYJGB-ILTLLKDXSA-N 2 2 301.394 0.775 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000884197614 667495666 /nfs/dbraw/zinc/49/56/66/667495666.db2.gz YSWZWAIPAOVGQS-KBPBESRZSA-N 2 2 311.426 0.671 20 30 DCEDLP C#CCC1(O)CC[NH+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000880478298 669216331 /nfs/dbraw/zinc/21/63/31/669216331.db2.gz ZVCQVXJZUCYXTN-OAHLLOKOSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949509720 670357286 /nfs/dbraw/zinc/35/72/86/670357286.db2.gz XWQUSUSFGQHNBE-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949509720 670357288 /nfs/dbraw/zinc/35/72/88/670357288.db2.gz XWQUSUSFGQHNBE-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509720 670357291 /nfs/dbraw/zinc/35/72/91/670357291.db2.gz XWQUSUSFGQHNBE-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509720 670357295 /nfs/dbraw/zinc/35/72/95/670357295.db2.gz XWQUSUSFGQHNBE-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1cccc(C#N)c1 ZINC000855416312 670710831 /nfs/dbraw/zinc/71/08/31/670710831.db2.gz KHZHFSHGPSEDNS-UHFFFAOYSA-N 2 2 318.421 0.937 20 30 DCEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1cccc(C#N)c1 ZINC000855416312 670710837 /nfs/dbraw/zinc/71/08/37/670710837.db2.gz KHZHFSHGPSEDNS-UHFFFAOYSA-N 2 2 318.421 0.937 20 30 DCEDLP C#CCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267237 671382311 /nfs/dbraw/zinc/38/23/11/671382311.db2.gz ROUAZWPQJUVGKG-GDBMZVCRSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267237 671382316 /nfs/dbraw/zinc/38/23/16/671382316.db2.gz ROUAZWPQJUVGKG-GDBMZVCRSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCC[N@H+](CCOC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000827823621 671537880 /nfs/dbraw/zinc/53/78/80/671537880.db2.gz RNLZHBKGUJHSGD-UHFFFAOYSA-N 2 2 317.437 0.700 20 30 DCEDLP CCC(CC)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)[NH+]1CCOCC1 ZINC000834490387 671764382 /nfs/dbraw/zinc/76/43/82/671764382.db2.gz UTWNCMCKAGCZIY-SOUVJXGZSA-N 2 2 308.426 0.351 20 30 DCEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCOCC1 ZINC000303896862 685208212 /nfs/dbraw/zinc/20/82/12/685208212.db2.gz QGTMLJOFMVTNSJ-UHFFFAOYSA-N 2 2 318.421 0.666 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201143 687430625 /nfs/dbraw/zinc/43/06/25/687430625.db2.gz WXCKHNSIWDBOAC-DOMZBBRYSA-N 2 2 322.409 0.335 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201143 687430627 /nfs/dbraw/zinc/43/06/27/687430627.db2.gz WXCKHNSIWDBOAC-DOMZBBRYSA-N 2 2 322.409 0.335 20 30 DCEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039269846 694332373 /nfs/dbraw/zinc/33/23/73/694332373.db2.gz NWKPXFVRZSODBI-WTXIUTQJSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039269846 694332377 /nfs/dbraw/zinc/33/23/77/694332377.db2.gz NWKPXFVRZSODBI-WTXIUTQJSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017560625 692937037 /nfs/dbraw/zinc/93/70/37/692937037.db2.gz IVMFMIUOSNLPTJ-GASCZTMLSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017560625 692937041 /nfs/dbraw/zinc/93/70/41/692937041.db2.gz IVMFMIUOSNLPTJ-GASCZTMLSA-N 2 2 315.421 0.367 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940226 694987543 /nfs/dbraw/zinc/98/75/43/694987543.db2.gz DXUYOYQLJYVGLI-QKPAOTATSA-N 2 2 305.422 0.262 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940226 694987544 /nfs/dbraw/zinc/98/75/44/694987544.db2.gz DXUYOYQLJYVGLI-QKPAOTATSA-N 2 2 305.422 0.262 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940226 694987545 /nfs/dbraw/zinc/98/75/45/694987545.db2.gz DXUYOYQLJYVGLI-QKPAOTATSA-N 2 2 305.422 0.262 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075940226 694987546 /nfs/dbraw/zinc/98/75/46/694987546.db2.gz DXUYOYQLJYVGLI-QKPAOTATSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnns1 ZINC001772517154 1157409798 /nfs/dbraw/zinc/40/97/98/1157409798.db2.gz DSXJYYWQNYRJOH-OCCSQVGLSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnns1 ZINC001772517154 1157409800 /nfs/dbraw/zinc/40/98/00/1157409800.db2.gz DSXJYYWQNYRJOH-OCCSQVGLSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1OCC ZINC001691319939 1157641747 /nfs/dbraw/zinc/64/17/47/1157641747.db2.gz AMFJUYPVUGZZJU-IXYNUQLISA-N 2 2 316.405 0.600 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1OCC ZINC001691319939 1157641753 /nfs/dbraw/zinc/64/17/53/1157641753.db2.gz AMFJUYPVUGZZJU-IXYNUQLISA-N 2 2 316.405 0.600 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001570115337 1161423958 /nfs/dbraw/zinc/42/39/58/1161423958.db2.gz MROHNKQMICEDIY-INIZCTEOSA-N 2 2 319.449 0.892 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001570115337 1161423960 /nfs/dbraw/zinc/42/39/60/1161423960.db2.gz MROHNKQMICEDIY-INIZCTEOSA-N 2 2 319.449 0.892 20 30 DCEDLP C#CC[C@@]1(C(=O)NCc2nc(C[NH+](C)C)cs2)CCC[NH2+]1 ZINC001574515869 1163730348 /nfs/dbraw/zinc/73/03/48/1163730348.db2.gz AOPWMEHNGYIZHO-HNNXBMFYSA-N 2 2 306.435 0.966 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(CC(C)C)n2CC[NH2+]CC)CC1 ZINC001574706320 1163740970 /nfs/dbraw/zinc/74/09/70/1163740970.db2.gz AYECVEXFVOGIQD-UHFFFAOYSA-N 2 2 318.469 0.841 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001667217992 1174670368 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DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001674324645 1175270377 /nfs/dbraw/zinc/27/03/77/1175270377.db2.gz VBPLCHUFBIMNEW-ZIAGYGMSSA-N 2 2 318.421 0.653 20 30 DCEDLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC#CC[NH+](C)C)C1 ZINC001676930499 1175504343 /nfs/dbraw/zinc/50/43/43/1175504343.db2.gz RPCHYINWNCOKHL-HNNXBMFYSA-N 2 2 317.437 0.949 20 30 DCEDLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC#CC[NH+](C)C ZINC001685832135 1176043283 /nfs/dbraw/zinc/04/32/83/1176043283.db2.gz OEBKNUWHVDQPJO-LSDHHAIUSA-N 2 2 308.426 0.056 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001692025961 1177404081 /nfs/dbraw/zinc/40/40/81/1177404081.db2.gz ZMLRQGGNQMOKAM-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1CC ZINC001692025961 1177404092 /nfs/dbraw/zinc/40/40/92/1177404092.db2.gz ZMLRQGGNQMOKAM-LSDHHAIUSA-N 2 2 322.453 0.354 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001699588209 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322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001707257754 1180450581 /nfs/dbraw/zinc/45/05/81/1180450581.db2.gz JMYZGDMXNYMEOE-ZNMIVQPWSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001707257754 1180450586 /nfs/dbraw/zinc/45/05/86/1180450586.db2.gz JMYZGDMXNYMEOE-ZNMIVQPWSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCn2cc[nH+]c2)C1=O ZINC001713329514 1180770141 /nfs/dbraw/zinc/77/01/41/1180770141.db2.gz MGIJXTIYASGYJG-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001714249409 1181294241 /nfs/dbraw/zinc/29/42/41/1181294241.db2.gz TWRSFUJBMDULKJ-KGLIPLIRSA-N 2 2 306.410 0.742 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001714433205 1181361114 /nfs/dbraw/zinc/36/11/14/1181361114.db2.gz AQOIXAKEBRYQCV-JSGCOSHPSA-N 2 2 319.409 0.081 20 30 DCEDLP 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FLMASBWXCBJAMP-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001731854323 1185530488 /nfs/dbraw/zinc/53/04/88/1185530488.db2.gz FLMASBWXCBJAMP-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001732399878 1185798883 /nfs/dbraw/zinc/79/88/83/1185798883.db2.gz INSNWKPAFKENRZ-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588419 1185863837 /nfs/dbraw/zinc/86/38/37/1185863837.db2.gz LJMPLBWTOLIVFZ-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588419 1185863844 /nfs/dbraw/zinc/86/38/44/1185863844.db2.gz LJMPLBWTOLIVFZ-UHFFFAOYSA-N 2 2 324.469 0.553 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001732956082 1186079523 /nfs/dbraw/zinc/07/95/23/1186079523.db2.gz NUUFUZCSFWNMSU-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001732956082 1186079527 /nfs/dbraw/zinc/07/95/27/1186079527.db2.gz NUUFUZCSFWNMSU-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccnn1C ZINC001733045633 1186115992 /nfs/dbraw/zinc/11/59/92/1186115992.db2.gz QHTPYCRICRLKRF-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccnn1C ZINC001733045633 1186115996 /nfs/dbraw/zinc/11/59/96/1186115996.db2.gz QHTPYCRICRLKRF-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccnn1C ZINC001733045633 1186116000 /nfs/dbraw/zinc/11/60/00/1186116000.db2.gz QHTPYCRICRLKRF-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccnn1C ZINC001733045633 1186116003 /nfs/dbraw/zinc/11/60/03/1186116003.db2.gz QHTPYCRICRLKRF-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001733300600 1186218166 /nfs/dbraw/zinc/21/81/66/1186218166.db2.gz PISCFTCXPHNLHJ-KRWDZBQOSA-N 2 2 316.405 0.526 20 30 DCEDLP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001733300600 1186218171 /nfs/dbraw/zinc/21/81/71/1186218171.db2.gz PISCFTCXPHNLHJ-KRWDZBQOSA-N 2 2 316.405 0.526 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001733818423 1186459805 /nfs/dbraw/zinc/45/98/05/1186459805.db2.gz FJXPJMOYOXSMRT-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001733856766 1186477635 /nfs/dbraw/zinc/47/76/35/1186477635.db2.gz FNXOZYNKTBQBOS-SWLSCSKDSA-N 2 2 306.410 0.900 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001733919153 1186497273 /nfs/dbraw/zinc/49/72/73/1186497273.db2.gz TYSQLBDKSLQJDJ-UHFFFAOYSA-N 2 2 304.394 0.227 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001733977343 1186513509 /nfs/dbraw/zinc/51/35/09/1186513509.db2.gz GGMXMDQZLVOXRU-STQMWFEESA-N 2 2 322.409 0.482 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001734176864 1186570016 /nfs/dbraw/zinc/57/00/16/1186570016.db2.gz IEAGXVBYCVTQBY-UKRRQHHQSA-N 2 2 304.394 0.571 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001734176864 1186570019 /nfs/dbraw/zinc/57/00/19/1186570019.db2.gz IEAGXVBYCVTQBY-UKRRQHHQSA-N 2 2 304.394 0.571 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001734597836 1186699442 /nfs/dbraw/zinc/69/94/42/1186699442.db2.gz UEXJGKYRAUZJKC-LKSINWNRSA-N 2 2 319.409 0.222 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001752375376 1188419478 /nfs/dbraw/zinc/41/94/78/1188419478.db2.gz MZDGKUQXWHTPSW-UHFFFAOYSA-N 2 2 319.453 0.663 20 30 DCEDLP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001753206621 1188535509 /nfs/dbraw/zinc/53/55/09/1188535509.db2.gz YYZAUMCZQNSGML-CQSZACIVSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001753361201 1188572923 /nfs/dbraw/zinc/57/29/23/1188572923.db2.gz YWCLMIUNFVZEGL-CQSZACIVSA-N 2 2 306.410 0.935 20 30 DCEDLP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001753361201 1188572927 /nfs/dbraw/zinc/57/29/27/1188572927.db2.gz YWCLMIUNFVZEGL-CQSZACIVSA-N 2 2 306.410 0.935 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001753409921 1188586541 /nfs/dbraw/zinc/58/65/41/1188586541.db2.gz LPQYNSHUGCXWCB-UHFFFAOYSA-N 2 2 324.469 0.315 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001753409921 1188586543 /nfs/dbraw/zinc/58/65/43/1188586543.db2.gz LPQYNSHUGCXWCB-UHFFFAOYSA-N 2 2 324.469 0.315 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001753696063 1188642845 /nfs/dbraw/zinc/64/28/45/1188642845.db2.gz FCUMMFVLHAEXEV-JSGCOSHPSA-N 2 2 318.425 0.147 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001753696063 1188642847 /nfs/dbraw/zinc/64/28/47/1188642847.db2.gz FCUMMFVLHAEXEV-JSGCOSHPSA-N 2 2 318.425 0.147 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001754137666 1188756412 /nfs/dbraw/zinc/75/64/12/1188756412.db2.gz MDHXCIQVGYYTOA-AATRIKPKSA-N 2 2 318.421 0.838 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CO2 ZINC001755058963 1189008979 /nfs/dbraw/zinc/00/89/79/1189008979.db2.gz MLJXOSXVGISMGA-CABCVRRESA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CO2 ZINC001755058963 1189008984 /nfs/dbraw/zinc/00/89/84/1189008984.db2.gz MLJXOSXVGISMGA-CABCVRRESA-N 2 2 323.437 0.243 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001755461519 1189118966 /nfs/dbraw/zinc/11/89/66/1189118966.db2.gz SLIPMYJZUJCJTE-HIFRSBDPSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001755605403 1189157300 /nfs/dbraw/zinc/15/73/00/1189157300.db2.gz DDXCGBDROBOGMJ-RYUDHWBXSA-N 2 2 307.398 0.079 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001755688193 1189185562 /nfs/dbraw/zinc/18/55/62/1189185562.db2.gz HBYKLPFNWPSQEZ-WCQYABFASA-N 2 2 319.409 0.142 20 30 DCEDLP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001755794791 1189217462 /nfs/dbraw/zinc/21/74/62/1189217462.db2.gz YKSDTXIVTODMGK-KBPBESRZSA-N 2 2 306.410 0.431 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781599 751784034 /nfs/dbraw/zinc/78/40/34/751784034.db2.gz OEPFWEHFELSBDG-DVOMOZLQSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781599 751784036 /nfs/dbraw/zinc/78/40/36/751784036.db2.gz OEPFWEHFELSBDG-DVOMOZLQSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781599 751784037 /nfs/dbraw/zinc/78/40/37/751784037.db2.gz OEPFWEHFELSBDG-DVOMOZLQSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083781599 751784039 /nfs/dbraw/zinc/78/40/39/751784039.db2.gz OEPFWEHFELSBDG-DVOMOZLQSA-N 2 2 313.417 0.546 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192696 746971536 /nfs/dbraw/zinc/97/15/36/746971536.db2.gz LQMIUOREJPYCTR-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192696 746971542 /nfs/dbraw/zinc/97/15/42/746971542.db2.gz LQMIUOREJPYCTR-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192696 746971544 /nfs/dbraw/zinc/97/15/44/746971544.db2.gz LQMIUOREJPYCTR-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083192696 746971550 /nfs/dbraw/zinc/97/15/50/746971550.db2.gz LQMIUOREJPYCTR-OWCLPIDISA-N 2 2 305.422 0.406 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001077680590 752289333 /nfs/dbraw/zinc/28/93/33/752289333.db2.gz OEPFWEHFELSBDG-IOASZLSFSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001077680590 752289336 /nfs/dbraw/zinc/28/93/36/752289336.db2.gz OEPFWEHFELSBDG-IOASZLSFSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680590 752289339 /nfs/dbraw/zinc/28/93/39/752289339.db2.gz OEPFWEHFELSBDG-IOASZLSFSA-N 2 2 313.417 0.546 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001077680590 752289349 /nfs/dbraw/zinc/28/93/49/752289349.db2.gz OEPFWEHFELSBDG-IOASZLSFSA-N 2 2 313.417 0.546 20 30 DCEDLP C=C(C)C[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105383026 748813024 /nfs/dbraw/zinc/81/30/24/748813024.db2.gz RDGGUSINMWOMSD-UHFFFAOYSA-N 2 2 315.381 0.224 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(CC)CC)C[C@@H]1O ZINC001083535788 750116607 /nfs/dbraw/zinc/11/66/07/750116607.db2.gz MARUEPNSCRVNIS-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@@H]1O ZINC001083535788 750116611 /nfs/dbraw/zinc/11/66/11/750116611.db2.gz MARUEPNSCRVNIS-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@@H]1O ZINC001083535788 750116613 /nfs/dbraw/zinc/11/66/13/750116613.db2.gz MARUEPNSCRVNIS-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@@H]1O ZINC001083535788 750116617 /nfs/dbraw/zinc/11/66/17/750116617.db2.gz MARUEPNSCRVNIS-IKGGRYGDSA-N 2 2 321.465 0.682 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130999 750216879 /nfs/dbraw/zinc/21/68/79/750216879.db2.gz KFBNGJBNENDCSH-HZSPNIEDSA-N 2 2 304.394 0.498 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001077130999 750216885 /nfs/dbraw/zinc/21/68/85/750216885.db2.gz KFBNGJBNENDCSH-HZSPNIEDSA-N 2 2 304.394 0.498 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001098789585 751239932 /nfs/dbraw/zinc/23/99/32/751239932.db2.gz FUMBACDDTGEZGW-OAHLLOKOSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001098789585 751239940 /nfs/dbraw/zinc/23/99/40/751239940.db2.gz FUMBACDDTGEZGW-OAHLLOKOSA-N 2 2 318.425 0.115 20 30 DCEDLP C=C(C)C[NH+]1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001044031033 752525066 /nfs/dbraw/zinc/52/50/66/752525066.db2.gz SYUOCYDMCUVZRQ-UHFFFAOYSA-N 2 2 305.426 0.777 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049197627 755175756 /nfs/dbraw/zinc/17/57/56/755175756.db2.gz LBRKHTJITXOKIO-GASCZTMLSA-N 2 2 300.406 0.766 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001049197627 755175762 /nfs/dbraw/zinc/17/57/62/755175762.db2.gz LBRKHTJITXOKIO-GASCZTMLSA-N 2 2 300.406 0.766 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356346 755668173 /nfs/dbraw/zinc/66/81/73/755668173.db2.gz WBWWWPOESYIPMB-KGLIPLIRSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356346 755668176 /nfs/dbraw/zinc/66/81/76/755668176.db2.gz WBWWWPOESYIPMB-KGLIPLIRSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356342 755668189 /nfs/dbraw/zinc/66/81/89/755668189.db2.gz WBWWWPOESYIPMB-KBPBESRZSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356342 755668193 /nfs/dbraw/zinc/66/81/93/755668193.db2.gz WBWWWPOESYIPMB-KBPBESRZSA-N 2 2 304.394 0.111 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362017 755694268 /nfs/dbraw/zinc/69/42/68/755694268.db2.gz SQOGGNVDKMFUCF-GOEBONIOSA-N 2 2 312.373 0.751 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362017 755694270 /nfs/dbraw/zinc/69/42/70/755694270.db2.gz SQOGGNVDKMFUCF-GOEBONIOSA-N 2 2 312.373 0.751 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001053304317 755996572 /nfs/dbraw/zinc/99/65/72/755996572.db2.gz GJRDJZDKVCJLQD-HUUCEWRRSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001053304317 755996577 /nfs/dbraw/zinc/99/65/77/755996577.db2.gz GJRDJZDKVCJLQD-HUUCEWRRSA-N 2 2 323.437 0.195 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001053891488 756263120 /nfs/dbraw/zinc/26/31/20/756263120.db2.gz SVXRHKPDUBWRQG-HNNXBMFYSA-N 2 2 319.449 0.844 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053983666 756315757 /nfs/dbraw/zinc/31/57/57/756315757.db2.gz GNIVCCICQJAJJU-AWEZNQCLSA-N 2 2 305.422 0.618 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001137352412 756816999 /nfs/dbraw/zinc/81/69/99/756816999.db2.gz RDEOSPTYSFSPID-HNNXBMFYSA-N 2 2 311.426 0.054 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006985 757270845 /nfs/dbraw/zinc/27/08/45/757270845.db2.gz VEIMFEKWCFHTQG-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006985 757270851 /nfs/dbraw/zinc/27/08/51/757270851.db2.gz VEIMFEKWCFHTQG-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006985 757270855 /nfs/dbraw/zinc/27/08/55/757270855.db2.gz VEIMFEKWCFHTQG-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006985 757270859 /nfs/dbraw/zinc/27/08/59/757270859.db2.gz VEIMFEKWCFHTQG-XHSDSOJGSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001083104709 757499070 /nfs/dbraw/zinc/49/90/70/757499070.db2.gz OYJBYARPWJSRBX-IXDOHACOSA-N 2 2 319.449 0.509 20 30 DCEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001083104709 757499072 /nfs/dbraw/zinc/49/90/72/757499072.db2.gz OYJBYARPWJSRBX-IXDOHACOSA-N 2 2 319.449 0.509 20 30 DCEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001083104709 757499077 /nfs/dbraw/zinc/49/90/77/757499077.db2.gz OYJBYARPWJSRBX-IXDOHACOSA-N 2 2 319.449 0.509 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001083104709 757499083 /nfs/dbraw/zinc/49/90/83/757499083.db2.gz OYJBYARPWJSRBX-IXDOHACOSA-N 2 2 319.449 0.509 20 30 DCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607696 757928740 /nfs/dbraw/zinc/92/87/40/757928740.db2.gz CZBVMMOKECNBTA-OAGGEKHMSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607696 757928745 /nfs/dbraw/zinc/92/87/45/757928745.db2.gz CZBVMMOKECNBTA-OAGGEKHMSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607696 757928750 /nfs/dbraw/zinc/92/87/50/757928750.db2.gz CZBVMMOKECNBTA-OAGGEKHMSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607696 757928753 /nfs/dbraw/zinc/92/87/53/757928753.db2.gz CZBVMMOKECNBTA-OAGGEKHMSA-N 2 2 305.422 0.262 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052035564 759131389 /nfs/dbraw/zinc/13/13/89/759131389.db2.gz DRBDWKHHEDHKIM-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052035564 759131392 /nfs/dbraw/zinc/13/13/92/759131392.db2.gz DRBDWKHHEDHKIM-QGZVFWFLSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036203 759131557 /nfs/dbraw/zinc/13/15/57/759131557.db2.gz HOTOCMFTZYESTF-IAGOWNOFSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052043302 759136829 /nfs/dbraw/zinc/13/68/29/759136829.db2.gz UMNKTJWXOQUYHC-HZPDHXFCSA-N 2 2 306.454 0.178 20 30 DCEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398316 759518949 /nfs/dbraw/zinc/51/89/49/759518949.db2.gz OHSJLKQRZIZDEB-HUUCEWRRSA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398316 759518954 /nfs/dbraw/zinc/51/89/54/759518954.db2.gz OHSJLKQRZIZDEB-HUUCEWRRSA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398316 759518957 /nfs/dbraw/zinc/51/89/57/759518957.db2.gz OHSJLKQRZIZDEB-HUUCEWRRSA-N 2 2 318.421 0.985 20 30 DCEDLP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001098398316 759518963 /nfs/dbraw/zinc/51/89/63/759518963.db2.gz OHSJLKQRZIZDEB-HUUCEWRRSA-N 2 2 318.421 0.985 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001086525022 760404290 /nfs/dbraw/zinc/40/42/90/760404290.db2.gz ZJJZMRSSLAJAKB-HDJSIYSDSA-N 2 2 309.373 0.999 20 30 DCEDLP CSc1nc(C)c(C#N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072237 760570645 /nfs/dbraw/zinc/57/06/45/760570645.db2.gz PSWLLKZIDLEPSP-SECBINFHSA-N 2 2 304.379 0.426 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216288 761713085 /nfs/dbraw/zinc/71/30/85/761713085.db2.gz OLDNPPSOFFVNET-WMLDXEAASA-N 2 2 316.405 0.667 20 30 DCEDLP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071216288 761713088 /nfs/dbraw/zinc/71/30/88/761713088.db2.gz OLDNPPSOFFVNET-WMLDXEAASA-N 2 2 316.405 0.667 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131822289 764043289 /nfs/dbraw/zinc/04/32/89/764043289.db2.gz LYIPHJOESDAWQN-HNNXBMFYSA-N 2 2 313.442 0.396 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001131822289 764043294 /nfs/dbraw/zinc/04/32/94/764043294.db2.gz LYIPHJOESDAWQN-HNNXBMFYSA-N 2 2 313.442 0.396 20 30 DCEDLP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227410 765424770 /nfs/dbraw/zinc/42/47/70/765424770.db2.gz GQUDLMRYOQLIMB-KGLIPLIRSA-N 2 2 306.410 0.865 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1nccn12 ZINC001092412959 768301328 /nfs/dbraw/zinc/30/13/28/768301328.db2.gz MNSOMGZEIUEQQH-KGLIPLIRSA-N 2 2 315.421 0.593 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1nccn12 ZINC001092412959 768301334 /nfs/dbraw/zinc/30/13/34/768301334.db2.gz MNSOMGZEIUEQQH-KGLIPLIRSA-N 2 2 315.421 0.593 20 30 DCEDLP N#Cc1cc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)ccc1F ZINC001135759754 766095698 /nfs/dbraw/zinc/09/56/98/766095698.db2.gz DWQCZPWIOHDCHV-UHFFFAOYSA-N 2 2 301.325 0.869 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090815847 766629249 /nfs/dbraw/zinc/62/92/49/766629249.db2.gz OFMLWBIWNHTBBG-CHWSQXEVSA-N 2 2 301.818 0.386 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090815847 766629244 /nfs/dbraw/zinc/62/92/44/766629244.db2.gz OFMLWBIWNHTBBG-CHWSQXEVSA-N 2 2 301.818 0.386 20 30 DCEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098354879 769056562 /nfs/dbraw/zinc/05/65/62/769056562.db2.gz MTVBRLLFNLIFTI-UHFFFAOYSA-N 2 2 306.410 0.814 20 30 DCEDLP C=CC[N@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098354879 769056573 /nfs/dbraw/zinc/05/65/73/769056573.db2.gz MTVBRLLFNLIFTI-UHFFFAOYSA-N 2 2 306.410 0.814 20 30 DCEDLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001151749454 769414515 /nfs/dbraw/zinc/41/45/15/769414515.db2.gz YPPUDWBSPSYZIT-MRXNPFEDSA-N 2 2 316.405 0.485 20 30 DCEDLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001151749454 769414517 /nfs/dbraw/zinc/41/45/17/769414517.db2.gz YPPUDWBSPSYZIT-MRXNPFEDSA-N 2 2 316.405 0.485 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]cn1C)C2 ZINC001095047543 769555753 /nfs/dbraw/zinc/55/57/53/769555753.db2.gz NUIZRZNQASIRHP-DZKIICNBSA-N 2 2 300.406 0.955 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC#CCOC)CC[N@@H+]1C ZINC001234412519 769648444 /nfs/dbraw/zinc/64/84/44/769648444.db2.gz BFZSWQIMGJAMDR-YESZJQIVSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CC#CCOC)CC[N@H+]1C ZINC001234412519 769648448 /nfs/dbraw/zinc/64/84/48/769648448.db2.gz BFZSWQIMGJAMDR-YESZJQIVSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CC#CCOC)CC[NH+]1C ZINC001234412519 769648451 /nfs/dbraw/zinc/64/84/51/769648451.db2.gz BFZSWQIMGJAMDR-YESZJQIVSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CC#CCOC)CC[NH+]1C ZINC001234412519 769648456 /nfs/dbraw/zinc/64/84/56/769648456.db2.gz BFZSWQIMGJAMDR-YESZJQIVSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC#CCOC)CC[N@@H+]1C ZINC001234412489 769649439 /nfs/dbraw/zinc/64/94/39/769649439.db2.gz BFZSWQIMGJAMDR-IXDOHACOSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+]2CC#CCOC)CC[N@H+]1C ZINC001234412489 769649445 /nfs/dbraw/zinc/64/94/45/769649445.db2.gz BFZSWQIMGJAMDR-IXDOHACOSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CC#CCOC)CC[NH+]1C ZINC001234412489 769649447 /nfs/dbraw/zinc/64/94/47/769649447.db2.gz BFZSWQIMGJAMDR-IXDOHACOSA-N 2 2 321.465 0.899 20 30 DCEDLP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+]2CC#CCOC)CC[NH+]1C ZINC001234412489 769649454 /nfs/dbraw/zinc/64/94/54/769649454.db2.gz BFZSWQIMGJAMDR-IXDOHACOSA-N 2 2 321.465 0.899 20 30 DCEDLP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cc1C#N ZINC001153487532 769827786 /nfs/dbraw/zinc/82/77/86/769827786.db2.gz CJJJFOXEQFGIBC-UHFFFAOYSA-N 2 2 313.361 0.669 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001177138112 770355191 /nfs/dbraw/zinc/35/51/91/770355191.db2.gz IOFHPHVMKULYAX-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001177138112 770355199 /nfs/dbraw/zinc/35/51/99/770355199.db2.gz IOFHPHVMKULYAX-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177138112 770355214 /nfs/dbraw/zinc/35/52/14/770355214.db2.gz IOFHPHVMKULYAX-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177138112 770355226 /nfs/dbraw/zinc/35/52/26/770355226.db2.gz IOFHPHVMKULYAX-HZPDHXFCSA-N 2 2 307.438 0.653 20 30 DCEDLP COC(=O)[C@@H]1C[C@H](Nc2ncc3c(c2C#N)CCC[NH2+]C3)C[NH2+]1 ZINC001156239957 770760312 /nfs/dbraw/zinc/76/03/12/770760312.db2.gz DEZAYIGFIREQSN-FZMZJTMJSA-N 2 2 315.377 0.304 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178595363 770793936 /nfs/dbraw/zinc/79/39/36/770793936.db2.gz UUKYOBIUSXPHRU-STQMWFEESA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942433 770972818 /nfs/dbraw/zinc/97/28/18/770972818.db2.gz RESWQCUKPSTRKW-CYBMUJFWSA-N 2 2 321.425 0.320 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185206382 771878683 /nfs/dbraw/zinc/87/86/83/771878683.db2.gz SJQNILBPWYJYOO-CABCVRRESA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189941991 772567999 /nfs/dbraw/zinc/56/79/99/772567999.db2.gz HDRSTEQWCOHSHZ-GOEBONIOSA-N 2 2 316.405 0.443 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189941991 772568001 /nfs/dbraw/zinc/56/80/01/772568001.db2.gz HDRSTEQWCOHSHZ-GOEBONIOSA-N 2 2 316.405 0.443 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCC)C[C@H]1O ZINC001193849598 773120718 /nfs/dbraw/zinc/12/07/18/773120718.db2.gz LRLXBAKSZPDSQT-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1O ZINC001193849598 773120720 /nfs/dbraw/zinc/12/07/20/773120720.db2.gz LRLXBAKSZPDSQT-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1O ZINC001193849598 773120723 /nfs/dbraw/zinc/12/07/23/773120723.db2.gz LRLXBAKSZPDSQT-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCC)C[C@H]1O ZINC001193849598 773120725 /nfs/dbraw/zinc/12/07/25/773120725.db2.gz LRLXBAKSZPDSQT-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924923 773345390 /nfs/dbraw/zinc/34/53/90/773345390.db2.gz UDSVZWAHAADYIB-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004969 773369533 /nfs/dbraw/zinc/36/95/33/773369533.db2.gz MVVPBBLRRWBBHY-UKRRQHHQSA-N 2 2 304.394 0.278 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208004969 773369537 /nfs/dbraw/zinc/36/95/37/773369537.db2.gz MVVPBBLRRWBBHY-UKRRQHHQSA-N 2 2 304.394 0.278 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061783 773390872 /nfs/dbraw/zinc/39/08/72/773390872.db2.gz MXCHFLBDVYUHGA-HUUCEWRRSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061783 773390882 /nfs/dbraw/zinc/39/08/82/773390882.db2.gz MXCHFLBDVYUHGA-HUUCEWRRSA-N 2 2 320.437 0.992 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208468083 773469935 /nfs/dbraw/zinc/46/99/35/773469935.db2.gz ZEQSRQAPTYLTQX-CYBMUJFWSA-N 2 2 304.394 0.954 20 30 DCEDLP CC#CC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208468084 773470135 /nfs/dbraw/zinc/47/01/35/773470135.db2.gz ZEQSRQAPTYLTQX-ZDUSSCGKSA-N 2 2 304.394 0.954 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826950 773657002 /nfs/dbraw/zinc/65/70/02/773657002.db2.gz NUXPZXUNYLZDKI-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826950 773657005 /nfs/dbraw/zinc/65/70/05/773657005.db2.gz NUXPZXUNYLZDKI-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196826950 773657008 /nfs/dbraw/zinc/65/70/08/773657008.db2.gz NUXPZXUNYLZDKI-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196826950 773657011 /nfs/dbraw/zinc/65/70/11/773657011.db2.gz NUXPZXUNYLZDKI-NWANDNLSSA-N 2 2 306.410 0.716 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211187446 773779964 /nfs/dbraw/zinc/77/99/64/773779964.db2.gz KKADTHDNWYQDGK-IAGOWNOFSA-N 2 2 319.449 0.701 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214892169 774022709 /nfs/dbraw/zinc/02/27/09/774022709.db2.gz HKMMUSFQDFNORZ-IXYNUQLISA-N 2 2 316.405 0.600 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214892169 774022714 /nfs/dbraw/zinc/02/27/14/774022714.db2.gz HKMMUSFQDFNORZ-IXYNUQLISA-N 2 2 316.405 0.600 20 30 DCEDLP N#Cc1nc(N)c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)nc1C#N ZINC001218596339 774259156 /nfs/dbraw/zinc/25/91/56/774259156.db2.gz YGIWRDRUWZRGSU-SNVBAGLBSA-N 2 2 322.332 0.013 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200839320 774414389 /nfs/dbraw/zinc/41/43/89/774414389.db2.gz BEICWYDNIGXEDE-GJZGRUSLSA-N 2 2 316.405 0.286 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCCO1 ZINC001200858540 774418182 /nfs/dbraw/zinc/41/81/82/774418182.db2.gz HDCNUUSHNDREIE-CQSZACIVSA-N 2 2 320.393 0.190 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCCO1 ZINC001200956260 774436201 /nfs/dbraw/zinc/43/62/01/774436201.db2.gz ZOIIFSJCPVCOAS-CQSZACIVSA-N 2 2 312.373 0.788 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104572 774447847 /nfs/dbraw/zinc/44/78/47/774447847.db2.gz POQVHWZCELVJKS-HNNXBMFYSA-N 2 2 304.394 0.504 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCCO1 ZINC001201524222 774523115 /nfs/dbraw/zinc/52/31/15/774523115.db2.gz GNIDWARQTQNMGP-LSDHHAIUSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201974546 774590049 /nfs/dbraw/zinc/59/00/49/774590049.db2.gz DLTNYLIIWHCWJH-HNNXBMFYSA-N 2 2 306.410 0.746 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222088483 775266528 /nfs/dbraw/zinc/26/65/28/775266528.db2.gz UNOMIWFFOQGAKA-MRXNPFEDSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114608615 775966351 /nfs/dbraw/zinc/96/63/51/775966351.db2.gz YBUWALPVAIXNOM-HALDLXJZSA-N 2 2 316.405 0.049 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114608615 775966359 /nfs/dbraw/zinc/96/63/59/775966359.db2.gz YBUWALPVAIXNOM-HALDLXJZSA-N 2 2 316.405 0.049 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041502776 777323851 /nfs/dbraw/zinc/32/38/51/777323851.db2.gz ITERYAYVJIQFRC-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001041502776 777323853 /nfs/dbraw/zinc/32/38/53/777323853.db2.gz ITERYAYVJIQFRC-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041788219 777498591 /nfs/dbraw/zinc/49/85/91/777498591.db2.gz ZFZDAVGBIUDDKG-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041788219 777498594 /nfs/dbraw/zinc/49/85/94/777498594.db2.gz ZFZDAVGBIUDDKG-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001277978316 945078278 /nfs/dbraw/zinc/07/82/78/945078278.db2.gz JPNXZWMDKCDUDZ-VXGBXAGGSA-N 2 2 307.398 0.079 20 30 DCEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001278105971 945140506 /nfs/dbraw/zinc/14/05/06/945140506.db2.gz QSHSGUZISAFTAN-KBPBESRZSA-N 2 2 306.410 0.478 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480878272 939138056 /nfs/dbraw/zinc/13/80/56/939138056.db2.gz CFFJZUDUZFWCGI-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480878272 939138057 /nfs/dbraw/zinc/13/80/57/939138057.db2.gz CFFJZUDUZFWCGI-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480878272 939138059 /nfs/dbraw/zinc/13/80/59/939138059.db2.gz CFFJZUDUZFWCGI-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480878272 939138061 /nfs/dbraw/zinc/13/80/61/939138061.db2.gz CFFJZUDUZFWCGI-KBPBESRZSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266553403 939161945 /nfs/dbraw/zinc/16/19/45/939161945.db2.gz KZXYGFPMSOCLOA-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266947734 939286423 /nfs/dbraw/zinc/28/64/23/939286423.db2.gz CVHOTOPPGJTUPI-ZIAGYGMSSA-N 2 2 304.394 0.190 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267745342 939657762 /nfs/dbraw/zinc/65/77/62/939657762.db2.gz MSWLCNMUPJFFND-OAHLLOKOSA-N 2 2 305.422 0.455 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267745342 939657763 /nfs/dbraw/zinc/65/77/63/939657763.db2.gz MSWLCNMUPJFFND-OAHLLOKOSA-N 2 2 305.422 0.455 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001268024212 939747743 /nfs/dbraw/zinc/74/77/43/939747743.db2.gz AGWBZSCQZLGROZ-HUUCEWRRSA-N 2 2 313.417 0.507 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001268024212 939747745 /nfs/dbraw/zinc/74/77/45/939747745.db2.gz AGWBZSCQZLGROZ-HUUCEWRRSA-N 2 2 313.417 0.507 20 30 DCEDLP C#CC[NH2+][C@H](CNC(=O)CC[NH+]1CCOCC1)c1ccccc1 ZINC001481374071 939762499 /nfs/dbraw/zinc/76/24/99/939762499.db2.gz YMMKLTXJLJJEFZ-QGZVFWFLSA-N 2 2 315.417 0.789 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001318214463 945292841 /nfs/dbraw/zinc/29/28/41/945292841.db2.gz GCNMJGBZNJEVNG-IRXDYDNUSA-N 2 2 319.449 0.653 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001318214463 945292846 /nfs/dbraw/zinc/29/28/46/945292846.db2.gz GCNMJGBZNJEVNG-IRXDYDNUSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268367490 940083451 /nfs/dbraw/zinc/08/34/51/940083451.db2.gz VFIFMKSDIFYKQV-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268367490 940083455 /nfs/dbraw/zinc/08/34/55/940083455.db2.gz VFIFMKSDIFYKQV-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268367493 940083717 /nfs/dbraw/zinc/08/37/17/940083717.db2.gz VFIFMKSDIFYKQV-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268367493 940083718 /nfs/dbraw/zinc/08/37/18/940083718.db2.gz VFIFMKSDIFYKQV-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001482065115 940241811 /nfs/dbraw/zinc/24/18/11/940241811.db2.gz JAPRVPALTAYEMB-CQSZACIVSA-N 2 2 304.394 0.193 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097040 940617789 /nfs/dbraw/zinc/61/77/89/940617789.db2.gz NLJVRUCSMVKGNO-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269097040 940617792 /nfs/dbraw/zinc/61/77/92/940617792.db2.gz NLJVRUCSMVKGNO-IRXDYDNUSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408427 940700365 /nfs/dbraw/zinc/70/03/65/940700365.db2.gz PGFXRKITIVZCPY-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408427 940700366 /nfs/dbraw/zinc/70/03/66/940700366.db2.gz PGFXRKITIVZCPY-IUODEOHRSA-N 2 2 303.410 0.908 20 30 DCEDLP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482394273 941209865 /nfs/dbraw/zinc/20/98/65/941209865.db2.gz YIVXIOKEDPGHDJ-HNNXBMFYSA-N 2 2 306.410 0.723 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270996849 941237669 /nfs/dbraw/zinc/23/76/69/941237669.db2.gz XCMLDGGTBUKABJ-YNEHKIRRSA-N 2 2 319.409 0.252 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271201353 941321141 /nfs/dbraw/zinc/32/11/41/941321141.db2.gz QACFCXUKYNSJIX-CZUORRHYSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271201353 941321144 /nfs/dbraw/zinc/32/11/44/941321144.db2.gz QACFCXUKYNSJIX-CZUORRHYSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271201353 941321145 /nfs/dbraw/zinc/32/11/45/941321145.db2.gz QACFCXUKYNSJIX-CZUORRHYSA-N 2 2 304.394 0.165 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271201353 941321150 /nfs/dbraw/zinc/32/11/50/941321150.db2.gz QACFCXUKYNSJIX-CZUORRHYSA-N 2 2 304.394 0.165 20 30 DCEDLP C=CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001271964842 941493601 /nfs/dbraw/zinc/49/36/01/941493601.db2.gz GGPCXFGUGSKDQE-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001271964842 941493603 /nfs/dbraw/zinc/49/36/03/941493603.db2.gz GGPCXFGUGSKDQE-YOEHRIQHSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482744269 941653567 /nfs/dbraw/zinc/65/35/67/941653567.db2.gz RYASLRDIFFDNQR-HIFRSBDPSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001484439389 943392328 /nfs/dbraw/zinc/39/23/28/943392328.db2.gz BHIWPGGEMTUXKN-KRWDZBQOSA-N 2 2 318.421 0.319 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001484439389 943392332 /nfs/dbraw/zinc/39/23/32/943392332.db2.gz BHIWPGGEMTUXKN-KRWDZBQOSA-N 2 2 318.421 0.319 20 30 DCEDLP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484842108 943590842 /nfs/dbraw/zinc/59/08/42/943590842.db2.gz QEHFGAHVLMUUMV-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484842108 943590845 /nfs/dbraw/zinc/59/08/45/943590845.db2.gz QEHFGAHVLMUUMV-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001276819009 944312872 /nfs/dbraw/zinc/31/28/72/944312872.db2.gz CBMUKINLUFALSE-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001316948089 944673734 /nfs/dbraw/zinc/67/37/34/944673734.db2.gz PYTMILBKDHHORZ-CABCVRRESA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316948089 944673739 /nfs/dbraw/zinc/67/37/39/944673739.db2.gz PYTMILBKDHHORZ-CABCVRRESA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001316948089 944673742 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CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500691904 1018583169 /nfs/dbraw/zinc/58/31/69/1018583169.db2.gz FBPZSZFPFLPVSB-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500691904 1018583172 /nfs/dbraw/zinc/58/31/72/1018583172.db2.gz FBPZSZFPFLPVSB-YOEHRIQHSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001498299155 1018918202 /nfs/dbraw/zinc/91/82/02/1018918202.db2.gz KAEOMRHIWWQKSJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001498299155 1018918212 /nfs/dbraw/zinc/91/82/12/1018918212.db2.gz KAEOMRHIWWQKSJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001498299155 1018918225 /nfs/dbraw/zinc/91/82/25/1018918225.db2.gz KAEOMRHIWWQKSJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001498299155 1018918236 /nfs/dbraw/zinc/91/82/36/1018918236.db2.gz KAEOMRHIWWQKSJ-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001498781256 1019422372 /nfs/dbraw/zinc/42/23/72/1019422372.db2.gz ABJCFRAUQGUMOM-GDBMZVCRSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496706087 1019554427 /nfs/dbraw/zinc/55/44/27/1019554427.db2.gz BKGCLBACSDGNLI-LSDHHAIUSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496706087 1019554434 /nfs/dbraw/zinc/55/44/34/1019554434.db2.gz BKGCLBACSDGNLI-LSDHHAIUSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001496706087 1019554443 /nfs/dbraw/zinc/55/44/43/1019554443.db2.gz BKGCLBACSDGNLI-LSDHHAIUSA-N 2 2 324.469 0.409 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001496706087 1019554450 /nfs/dbraw/zinc/55/44/50/1019554450.db2.gz BKGCLBACSDGNLI-LSDHHAIUSA-N 2 2 324.469 0.409 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnns1 ZINC001662244136 1174193050 /nfs/dbraw/zinc/19/30/50/1174193050.db2.gz GEZYREZCNHYQFI-YPMHNXCESA-N 2 2 307.423 0.230 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnns1 ZINC001662244136 1174193047 /nfs/dbraw/zinc/19/30/47/1174193047.db2.gz GEZYREZCNHYQFI-YPMHNXCESA-N 2 2 307.423 0.230 20 30 DCEDLP CNC(NCC[NH+]1CCN(c2ccc(OC)cc2)CC1)=[NH+]C ZINC000264077249 529836338 /nfs/dbraw/zinc/83/63/38/529836338.db2.gz GFBXHRXSVJBJHJ-UHFFFAOYSA-N 2 2 305.426 0.612 20 30 DCEDLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCCCC1)N1CCOCC1 ZINC000263279836 238187378 /nfs/dbraw/zinc/18/73/78/238187378.db2.gz ZRRQSQFIDZEQIL-UHFFFAOYSA-N 2 2 310.442 0.668 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000057120479 395939737 /nfs/dbraw/zinc/93/97/37/395939737.db2.gz NKNIQQUBUXXCJB-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000264120022 396256233 /nfs/dbraw/zinc/25/62/33/396256233.db2.gz LZOSOXQNGHZNLK-AWEZNQCLSA-N 2 2 310.442 0.163 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961692 396290031 /nfs/dbraw/zinc/29/00/31/396290031.db2.gz QVQXFIXTVKXFHH-NEPJUHHUSA-N 2 2 305.382 0.989 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961692 396290033 /nfs/dbraw/zinc/29/00/33/396290033.db2.gz QVQXFIXTVKXFHH-NEPJUHHUSA-N 2 2 305.382 0.989 20 30 DCEDLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595275156 396576624 /nfs/dbraw/zinc/57/66/24/396576624.db2.gz IBGATAWCXMFTIQ-CQSZACIVSA-N 2 2 315.421 0.993 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506901 396619246 /nfs/dbraw/zinc/61/92/46/396619246.db2.gz IKNUQLFHKZZPTJ-XJKSGUPXSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506901 396619251 /nfs/dbraw/zinc/61/92/51/396619251.db2.gz IKNUQLFHKZZPTJ-XJKSGUPXSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506901 396619252 /nfs/dbraw/zinc/61/92/52/396619252.db2.gz IKNUQLFHKZZPTJ-XJKSGUPXSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506901 396619256 /nfs/dbraw/zinc/61/92/56/396619256.db2.gz IKNUQLFHKZZPTJ-XJKSGUPXSA-N 2 2 308.426 0.804 20 30 DCEDLP C#CCNC(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000491202243 397501361 /nfs/dbraw/zinc/50/13/61/397501361.db2.gz NAAFPIGMGQLLFH-JKSUJKDBSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CCNC(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000491202243 397501362 /nfs/dbraw/zinc/50/13/62/397501362.db2.gz NAAFPIGMGQLLFH-JKSUJKDBSA-N 2 2 306.454 0.084 20 30 DCEDLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)[C@H](C[NH3+])C1 ZINC000493147906 397525472 /nfs/dbraw/zinc/52/54/72/397525472.db2.gz FKFDVFRPSZORQG-NFBGWVBBSA-N 2 2 314.389 0.703 20 30 DCEDLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(OCC#N)cc2)[C@H](C[NH3+])C1 ZINC000493147906 397525476 /nfs/dbraw/zinc/52/54/76/397525476.db2.gz FKFDVFRPSZORQG-NFBGWVBBSA-N 2 2 314.389 0.703 20 30 DCEDLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000107369491 415666746 /nfs/dbraw/zinc/66/67/46/415666746.db2.gz CFFRKAXIKNOSRG-HOTGVXAUSA-N 2 2 321.469 0.459 20 30 DCEDLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)CC1 ZINC000107369491 415666759 /nfs/dbraw/zinc/66/67/59/415666759.db2.gz CFFRKAXIKNOSRG-HOTGVXAUSA-N 2 2 321.469 0.459 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000333654075 415705979 /nfs/dbraw/zinc/70/59/79/415705979.db2.gz KIVMISLSVYHZKZ-INIZCTEOSA-N 2 2 313.405 0.747 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000112731385 415715501 /nfs/dbraw/zinc/71/55/01/415715501.db2.gz PBRPVTKOPGWXCW-INIZCTEOSA-N 2 2 321.469 0.460 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000112731385 415715510 /nfs/dbraw/zinc/71/55/10/415715510.db2.gz PBRPVTKOPGWXCW-INIZCTEOSA-N 2 2 321.469 0.460 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000490949502 416580602 /nfs/dbraw/zinc/58/06/02/416580602.db2.gz KZLQVTBMMSPVIM-INIZCTEOSA-N 2 2 301.390 0.087 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000491142554 416587601 /nfs/dbraw/zinc/58/76/01/416587601.db2.gz CWLGYSCBDIWNJP-HNNXBMFYSA-N 2 2 310.401 0.986 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000491729781 416619566 /nfs/dbraw/zinc/61/95/66/416619566.db2.gz NVUKNSCLSVYAKR-NVXWUHKLSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000491729781 416619571 /nfs/dbraw/zinc/61/95/71/416619571.db2.gz NVUKNSCLSVYAKR-NVXWUHKLSA-N 2 2 319.449 0.653 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424167078 416621597 /nfs/dbraw/zinc/62/15/97/416621597.db2.gz BTWRKOZHOLKUJL-CHWSQXEVSA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C ZINC000424167078 416621598 /nfs/dbraw/zinc/62/15/98/416621598.db2.gz BTWRKOZHOLKUJL-CHWSQXEVSA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424167086 416621896 /nfs/dbraw/zinc/62/18/96/416621896.db2.gz BTWRKOZHOLKUJL-STQMWFEESA-N 2 2 310.398 0.103 20 30 DCEDLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H]1C ZINC000424167086 416621904 /nfs/dbraw/zinc/62/19/04/416621904.db2.gz BTWRKOZHOLKUJL-STQMWFEESA-N 2 2 310.398 0.103 20 30 DCEDLP C=CC[C@@]1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCC[NH2+]1 ZINC000662745985 417882499 /nfs/dbraw/zinc/88/24/99/417882499.db2.gz HQDPWUFGNJTYLL-INIZCTEOSA-N 2 2 308.426 0.093 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476758 418261909 /nfs/dbraw/zinc/26/19/09/418261909.db2.gz FKSLHVWRQFGHNI-CVEARBPZSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476758 418261910 /nfs/dbraw/zinc/26/19/10/418261910.db2.gz FKSLHVWRQFGHNI-CVEARBPZSA-N 2 2 307.438 0.960 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267475319 276184207 /nfs/dbraw/zinc/18/42/07/276184207.db2.gz ZFMCDZLVSIJKIM-LBPRGKRZSA-N 3 2 307.446 0.375 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000267475319 276184209 /nfs/dbraw/zinc/18/42/09/276184209.db2.gz ZFMCDZLVSIJKIM-LBPRGKRZSA-N 3 2 307.446 0.375 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](COC)c2ccccc2)CC1 ZINC000490913670 339843497 /nfs/dbraw/zinc/84/34/97/339843497.db2.gz DPPVPKVYGJPLPU-QGZVFWFLSA-N 2 2 315.417 0.741 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000491766349 339879507 /nfs/dbraw/zinc/87/95/07/339879507.db2.gz GGMCGILHIYUHFU-MRXNPFEDSA-N 2 2 319.380 0.226 20 30 DCEDLP C[C@H]1C[NH+]=C(NCc2cccc(OCC[NH+]3CCOCC3)c2)N1 ZINC000262675360 533990889 /nfs/dbraw/zinc/99/08/89/533990889.db2.gz SYQALHSJXPTCSA-AWEZNQCLSA-N 2 2 318.421 0.835 20 30 DCEDLP C[NH+]=C(NCC(=O)NC1CC1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261988147 526347686 /nfs/dbraw/zinc/34/76/86/526347686.db2.gz QPPVBYJUFKZPIJ-OCCSQVGLSA-N 2 2 318.425 0.620 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)C1=O ZINC000281882151 526509526 /nfs/dbraw/zinc/50/95/26/526509526.db2.gz DBLWSULLWNPSOD-HNNXBMFYSA-N 2 2 316.405 0.999 20 30 DCEDLP CC(C)CNC(=[NH2+])NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000262025786 527954822 /nfs/dbraw/zinc/95/48/22/527954822.db2.gz ZGPYDZWMDLDPHU-CQSZACIVSA-N 2 2 300.472 0.755 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978404226 660533920 /nfs/dbraw/zinc/53/39/20/660533920.db2.gz HRAPACBSKFHXTL-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978404226 660533922 /nfs/dbraw/zinc/53/39/22/660533922.db2.gz HRAPACBSKFHXTL-DZUCGIPZSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000981327704 661133529 /nfs/dbraw/zinc/13/35/29/661133529.db2.gz WXTQRIWHIHVLOU-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000981327704 661133530 /nfs/dbraw/zinc/13/35/30/661133530.db2.gz WXTQRIWHIHVLOU-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327704 661133531 /nfs/dbraw/zinc/13/35/31/661133531.db2.gz WXTQRIWHIHVLOU-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327704 661133532 /nfs/dbraw/zinc/13/35/32/661133532.db2.gz WXTQRIWHIHVLOU-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447079 657875514 /nfs/dbraw/zinc/87/55/14/657875514.db2.gz FIXMBKOBORANOX-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001022591326 658155799 /nfs/dbraw/zinc/15/57/99/658155799.db2.gz WFIYOOILABAUPN-LZWOXQAQSA-N 2 2 305.422 0.500 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DCEDLP N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905446692 663556049 /nfs/dbraw/zinc/55/60/49/663556049.db2.gz KKJUYHIBOBKTQN-IAGOWNOFSA-N 2 2 319.453 0.816 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030464276 664554455 /nfs/dbraw/zinc/55/44/55/664554455.db2.gz NLYBQAWMFBKSDC-HOCLYGCPSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030464276 664554456 /nfs/dbraw/zinc/55/44/56/664554456.db2.gz NLYBQAWMFBKSDC-HOCLYGCPSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221135 666633943 /nfs/dbraw/zinc/63/39/43/666633943.db2.gz SAVGBIKEOIXGIO-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221135 666633944 /nfs/dbraw/zinc/63/39/44/666633944.db2.gz SAVGBIKEOIXGIO-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923308728 667504263 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CXSBOFPZXNQGGB-LSDHHAIUSA-N 2 2 320.437 0.199 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000752369748 668016314 /nfs/dbraw/zinc/01/63/14/668016314.db2.gz CATWQSDBNITHHS-INIZCTEOSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000752369748 668016315 /nfs/dbraw/zinc/01/63/15/668016315.db2.gz CATWQSDBNITHHS-INIZCTEOSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)C1 ZINC000890363346 668119412 /nfs/dbraw/zinc/11/94/12/668119412.db2.gz MYLPZVSGLMKCLD-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)C1 ZINC000890363346 668119414 /nfs/dbraw/zinc/11/94/14/668119414.db2.gz MYLPZVSGLMKCLD-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000890363346 668119417 /nfs/dbraw/zinc/11/94/17/668119417.db2.gz MYLPZVSGLMKCLD-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000890363346 668119419 /nfs/dbraw/zinc/11/94/19/668119419.db2.gz MYLPZVSGLMKCLD-PMPSAXMXSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000890363366 668119454 /nfs/dbraw/zinc/11/94/54/668119454.db2.gz NDLYLWRWWZWDQZ-INIZCTEOSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000890363366 668119456 /nfs/dbraw/zinc/11/94/56/668119456.db2.gz NDLYLWRWWZWDQZ-INIZCTEOSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000890363366 668119457 /nfs/dbraw/zinc/11/94/57/668119457.db2.gz NDLYLWRWWZWDQZ-INIZCTEOSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000890363366 668119459 /nfs/dbraw/zinc/11/94/59/668119459.db2.gz NDLYLWRWWZWDQZ-INIZCTEOSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000927502372 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/nfs/dbraw/zinc/12/16/74/1160121674.db2.gz FNYNJIPFRPQZJQ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCOCC)C1 ZINC001566664915 1160121678 /nfs/dbraw/zinc/12/16/78/1160121678.db2.gz FNYNJIPFRPQZJQ-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnon1 ZINC001567218110 1160276349 /nfs/dbraw/zinc/27/63/49/1160276349.db2.gz DHKKASMQPIENDV-OCCSQVGLSA-N 2 2 305.382 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cnon1 ZINC001567218110 1160276357 /nfs/dbraw/zinc/27/63/57/1160276357.db2.gz DHKKASMQPIENDV-OCCSQVGLSA-N 2 2 305.382 0.152 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001568176370 1160591747 /nfs/dbraw/zinc/59/17/47/1160591747.db2.gz GLPZDPZWHCLLKL-OCCSQVGLSA-N 2 2 319.409 0.318 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001568176370 1160591750 /nfs/dbraw/zinc/59/17/50/1160591750.db2.gz GLPZDPZWHCLLKL-OCCSQVGLSA-N 2 2 319.409 0.318 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001568516184 1160667553 /nfs/dbraw/zinc/66/75/53/1160667553.db2.gz UKYXNINAFWCNEH-JKSUJKDBSA-N 2 2 316.405 0.456 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001568516184 1160667558 /nfs/dbraw/zinc/66/75/58/1160667558.db2.gz UKYXNINAFWCNEH-JKSUJKDBSA-N 2 2 316.405 0.456 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001570144614 1161439400 /nfs/dbraw/zinc/43/94/00/1161439400.db2.gz SWOAHBHARBDBSQ-GOEBONIOSA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCOCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001570290929 1161545988 /nfs/dbraw/zinc/54/59/88/1161545988.db2.gz GZHRDPUTKDHWCD-INIZCTEOSA-N 2 2 322.409 0.098 20 30 DCEDLP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001570293598 1161550910 /nfs/dbraw/zinc/55/09/10/1161550910.db2.gz GWNIKJMMHKHCJJ-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[NH+]2CCCCC2)CC1 ZINC001588752999 1166586293 /nfs/dbraw/zinc/58/62/93/1166586293.db2.gz YYMZNHNOIYHETF-UHFFFAOYSA-N 2 2 316.453 0.828 20 30 DCEDLP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001650162427 1173491040 /nfs/dbraw/zinc/49/10/40/1173491040.db2.gz XLZZBMKRCYSKEB-ARFHVFGLSA-N 2 2 324.469 0.282 20 30 DCEDLP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H]1C[N@@H+](C)CCN1C ZINC001650162427 1173491041 /nfs/dbraw/zinc/49/10/41/1173491041.db2.gz XLZZBMKRCYSKEB-ARFHVFGLSA-N 2 2 324.469 0.282 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001661895503 1174169155 /nfs/dbraw/zinc/16/91/55/1174169155.db2.gz GIHNKXFVKADGNN-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001661895503 1174169160 /nfs/dbraw/zinc/16/91/60/1174169160.db2.gz GIHNKXFVKADGNN-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001661895503 1174169165 /nfs/dbraw/zinc/16/91/65/1174169165.db2.gz GIHNKXFVKADGNN-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001661895503 1174169168 /nfs/dbraw/zinc/16/91/68/1174169168.db2.gz GIHNKXFVKADGNN-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001662512525 1174214682 /nfs/dbraw/zinc/21/46/82/1174214682.db2.gz QVZUSRQYXKEYHO-ZDUSSCGKSA-N 2 2 320.393 0.190 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001672008774 1175060898 /nfs/dbraw/zinc/06/08/98/1175060898.db2.gz NHHKOOCLCPLAHR-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001672008774 1175060906 /nfs/dbraw/zinc/06/09/06/1175060906.db2.gz NHHKOOCLCPLAHR-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001672537457 1175123623 /nfs/dbraw/zinc/12/36/23/1175123623.db2.gz IBGOGORJPSCLFJ-HZPDHXFCSA-N 2 2 316.405 0.667 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001672537457 1175123625 /nfs/dbraw/zinc/12/36/25/1175123625.db2.gz IBGOGORJPSCLFJ-HZPDHXFCSA-N 2 2 316.405 0.667 20 30 DCEDLP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001677161340 1175541605 /nfs/dbraw/zinc/54/16/05/1175541605.db2.gz QTYYUVNRGLPOQX-GJZGRUSLSA-N 2 2 320.437 0.773 20 30 DCEDLP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001677161340 1175541608 /nfs/dbraw/zinc/54/16/08/1175541608.db2.gz QTYYUVNRGLPOQX-GJZGRUSLSA-N 2 2 320.437 0.773 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NC(C)C ZINC001689807869 1177066528 /nfs/dbraw/zinc/06/65/28/1177066528.db2.gz KMWJWVIIATYTBX-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)NC(C)C ZINC001689807869 1177066534 /nfs/dbraw/zinc/06/65/34/1177066534.db2.gz KMWJWVIIATYTBX-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(C)C ZINC001689807869 1177066540 /nfs/dbraw/zinc/06/65/40/1177066540.db2.gz KMWJWVIIATYTBX-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NC(C)C ZINC001689807869 1177066547 /nfs/dbraw/zinc/06/65/47/1177066547.db2.gz KMWJWVIIATYTBX-HNNXBMFYSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001698857387 1177696713 /nfs/dbraw/zinc/69/67/13/1177696713.db2.gz OOTHOECKYZOPHV-ZDUSSCGKSA-N 2 2 306.410 0.774 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ncccn1 ZINC001699375359 1178108246 /nfs/dbraw/zinc/10/82/46/1178108246.db2.gz VMULNFFWHBZCIQ-ILXRZTDVSA-N 2 2 315.421 0.730 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ncccn1 ZINC001699375359 1178108250 /nfs/dbraw/zinc/10/82/50/1178108250.db2.gz VMULNFFWHBZCIQ-ILXRZTDVSA-N 2 2 315.421 0.730 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)no1 ZINC001699407363 1178123798 /nfs/dbraw/zinc/12/37/98/1178123798.db2.gz PAWNGBSARFASEL-ZFWWWQNUSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)no1 ZINC001699407363 1178123803 /nfs/dbraw/zinc/12/38/03/1178123803.db2.gz PAWNGBSARFASEL-ZFWWWQNUSA-N 2 2 304.394 0.675 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699898699 1178348075 /nfs/dbraw/zinc/34/80/75/1178348075.db2.gz QPTREMFRZQWMBZ-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699898699 1178348084 /nfs/dbraw/zinc/34/80/84/1178348084.db2.gz QPTREMFRZQWMBZ-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700008611 1178428397 /nfs/dbraw/zinc/42/83/97/1178428397.db2.gz WWKXLAXPCRNZCC-INIZCTEOSA-N 2 2 304.394 0.227 20 30 DCEDLP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001700008611 1178428402 /nfs/dbraw/zinc/42/84/02/1178428402.db2.gz WWKXLAXPCRNZCC-INIZCTEOSA-N 2 2 304.394 0.227 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC001700459544 1178621731 /nfs/dbraw/zinc/62/17/31/1178621731.db2.gz DIGPQVFLHTXVNH-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC(C)C ZINC001700459544 1178621734 /nfs/dbraw/zinc/62/17/34/1178621734.db2.gz DIGPQVFLHTXVNH-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC(C)C ZINC001700459544 1178621739 /nfs/dbraw/zinc/62/17/39/1178621739.db2.gz DIGPQVFLHTXVNH-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC(C)C ZINC001700459544 1178621744 /nfs/dbraw/zinc/62/17/44/1178621744.db2.gz DIGPQVFLHTXVNH-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP COCC#CC[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001700696819 1178709630 /nfs/dbraw/zinc/70/96/30/1178709630.db2.gz PTNMHPDCYBJCCN-UHFFFAOYSA-N 2 2 304.394 0.525 20 30 DCEDLP COCC#CC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001700696819 1178709636 /nfs/dbraw/zinc/70/96/36/1178709636.db2.gz PTNMHPDCYBJCCN-UHFFFAOYSA-N 2 2 304.394 0.525 20 30 DCEDLP C#CC[N@H+](C)CCOCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001700701508 1178711736 /nfs/dbraw/zinc/71/17/36/1178711736.db2.gz SVNITNXMUIHEFZ-UHFFFAOYSA-N 2 2 318.421 0.460 20 30 DCEDLP C#CC[N@@H+](C)CCOCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001700701508 1178711743 /nfs/dbraw/zinc/71/17/43/1178711743.db2.gz SVNITNXMUIHEFZ-UHFFFAOYSA-N 2 2 318.421 0.460 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700964887 1178844231 /nfs/dbraw/zinc/84/42/31/1178844231.db2.gz RRRYWGBDERSGLP-CQSZACIVSA-N 2 2 314.389 0.951 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001700964887 1178844239 /nfs/dbraw/zinc/84/42/39/1178844239.db2.gz RRRYWGBDERSGLP-CQSZACIVSA-N 2 2 314.389 0.951 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001713355779 1180784141 /nfs/dbraw/zinc/78/41/41/1180784141.db2.gz OZVNTLMXZBAZOJ-HZPDHXFCSA-N 2 2 318.421 0.922 20 30 DCEDLP CCC[N@H+](C)CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001713744605 1181040883 /nfs/dbraw/zinc/04/08/83/1181040883.db2.gz CIEVYNDCYNDBHX-UHFFFAOYSA-N 2 2 309.458 0.318 20 30 DCEDLP CCC[N@@H+](C)CCC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001713744605 1181040888 /nfs/dbraw/zinc/04/08/88/1181040888.db2.gz CIEVYNDCYNDBHX-UHFFFAOYSA-N 2 2 309.458 0.318 20 30 DCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001713950992 1181168506 /nfs/dbraw/zinc/16/85/06/1181168506.db2.gz FGDFRSFBRXMBSD-LSDHHAIUSA-N 2 2 313.417 0.507 20 30 DCEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001713950992 1181168511 /nfs/dbraw/zinc/16/85/11/1181168511.db2.gz FGDFRSFBRXMBSD-LSDHHAIUSA-N 2 2 313.417 0.507 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001714002237 1181197093 /nfs/dbraw/zinc/19/70/93/1181197093.db2.gz CASRABIYNRLLDV-UXLLHSPISA-N 2 2 319.449 0.890 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001714002237 1181197098 /nfs/dbraw/zinc/19/70/98/1181197098.db2.gz CASRABIYNRLLDV-UXLLHSPISA-N 2 2 319.449 0.890 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714005206 1181197165 /nfs/dbraw/zinc/19/71/65/1181197165.db2.gz ABOUGDXMEWSHGJ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714005206 1181197170 /nfs/dbraw/zinc/19/71/70/1181197170.db2.gz ABOUGDXMEWSHGJ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001714005206 1181197176 /nfs/dbraw/zinc/19/71/76/1181197176.db2.gz ABOUGDXMEWSHGJ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001714005206 1181197181 /nfs/dbraw/zinc/19/71/81/1181197181.db2.gz ABOUGDXMEWSHGJ-JKSUJKDBSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001714167558 1181270987 /nfs/dbraw/zinc/27/09/87/1181270987.db2.gz USGVWSMBDVVOGD-GUYCJALGSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001714167559 1181271758 /nfs/dbraw/zinc/27/17/58/1181271758.db2.gz USGVWSMBDVVOGD-SUMWQHHRSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001714433204 1181360301 /nfs/dbraw/zinc/36/03/01/1181360301.db2.gz AQOIXAKEBRYQCV-GXTWGEPZSA-N 2 2 319.409 0.081 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714563176 1181418305 /nfs/dbraw/zinc/41/83/05/1181418305.db2.gz BZEONSUIEANSRS-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714563176 1181418308 /nfs/dbraw/zinc/41/83/08/1181418308.db2.gz BZEONSUIEANSRS-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001715596933 1181884971 /nfs/dbraw/zinc/88/49/71/1181884971.db2.gz UWFMUWIBGRFWNH-ZFWWWQNUSA-N 2 2 306.410 0.478 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001715756132 1181979339 /nfs/dbraw/zinc/97/93/39/1181979339.db2.gz BHFKVGSGBDSRRU-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C/C=C\CNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001715885091 1182075453 /nfs/dbraw/zinc/07/54/53/1182075453.db2.gz KNXWDQHKXWULLK-DHCBQETCSA-N 2 2 317.393 0.001 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001716068735 1182171591 /nfs/dbraw/zinc/17/15/91/1182171591.db2.gz CYFDBBFYHWRYBD-ZFWWWQNUSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCO)CC1 ZINC001716811683 1182533497 /nfs/dbraw/zinc/53/34/97/1182533497.db2.gz IRQULRUOJNXXHH-UHFFFAOYSA-N 2 2 318.421 0.271 20 30 DCEDLP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001716877162 1182556317 /nfs/dbraw/zinc/55/63/17/1182556317.db2.gz XJJKZDJUSREUIL-MRXNPFEDSA-N 2 2 306.410 0.983 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001717175268 1182710945 /nfs/dbraw/zinc/71/09/45/1182710945.db2.gz MMTASPSNUJQDNE-OAHLLOKOSA-N 2 2 318.421 0.767 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001717176128 1182711449 /nfs/dbraw/zinc/71/14/49/1182711449.db2.gz TTWDFLWLZOPQRE-GJZGRUSLSA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001717903372 1183049295 /nfs/dbraw/zinc/04/92/95/1183049295.db2.gz RKCAGMWNODEARD-CYBMUJFWSA-N 2 2 304.394 0.429 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717920433 1183060312 /nfs/dbraw/zinc/06/03/12/1183060312.db2.gz AJUSHLHRWYOFJZ-ZBFHGGJFSA-N 2 2 320.437 0.821 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001723722511 1184339811 /nfs/dbraw/zinc/33/98/11/1184339811.db2.gz VNUJHDWGXUHQJV-KRWDZBQOSA-N 2 2 316.405 0.526 20 30 DCEDLP COCC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001723722511 1184339815 /nfs/dbraw/zinc/33/98/15/1184339815.db2.gz VNUJHDWGXUHQJV-KRWDZBQOSA-N 2 2 316.405 0.526 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001724904050 1184611643 /nfs/dbraw/zinc/61/16/43/1184611643.db2.gz HMHQKASZVPALCX-RHSMWYFYSA-N 2 2 318.421 0.575 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001725215757 1184728523 /nfs/dbraw/zinc/72/85/23/1184728523.db2.gz PXHBONBVVMWKRD-UHFFFAOYSA-N 2 2 318.421 0.583 20 30 DCEDLP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001725431528 1184821513 /nfs/dbraw/zinc/82/15/13/1184821513.db2.gz BBHMWHJODVXGGU-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001725431528 1184821514 /nfs/dbraw/zinc/82/15/14/1184821514.db2.gz BBHMWHJODVXGGU-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP C=CCC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725531199 1184863024 /nfs/dbraw/zinc/86/30/24/1184863024.db2.gz LMDVPYWZVDKKBW-CQSZACIVSA-N 2 2 302.378 0.899 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001731403248 1185318339 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JBFWAIGDVWKMEX-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001733065770 1186124572 /nfs/dbraw/zinc/12/45/72/1186124572.db2.gz JBFWAIGDVWKMEX-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001733065770 1186124576 /nfs/dbraw/zinc/12/45/76/1186124576.db2.gz JBFWAIGDVWKMEX-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001733065770 1186124585 /nfs/dbraw/zinc/12/45/85/1186124585.db2.gz JBFWAIGDVWKMEX-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001733821270 1186462446 /nfs/dbraw/zinc/46/24/46/1186462446.db2.gz DZRKNNBFNHTEKH-INIZCTEOSA-N 2 2 306.410 0.816 20 30 DCEDLP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001734125445 1186555139 /nfs/dbraw/zinc/55/51/39/1186555139.db2.gz IFHAUYPUOCQYQO-CABCVRRESA-N 2 2 307.438 0.415 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001734140007 1186558340 /nfs/dbraw/zinc/55/83/40/1186558340.db2.gz NFJARPCSNJXHIK-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001734140007 1186558341 /nfs/dbraw/zinc/55/83/41/1186558341.db2.gz NFJARPCSNJXHIK-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001734140007 1186558342 /nfs/dbraw/zinc/55/83/42/1186558342.db2.gz NFJARPCSNJXHIK-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001734140007 1186558344 /nfs/dbraw/zinc/55/83/44/1186558344.db2.gz NFJARPCSNJXHIK-QGZVFWFLSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2cncn2C)CC1 ZINC001753074254 1188492679 /nfs/dbraw/zinc/49/26/79/1188492679.db2.gz FGBDSSKVJJZKCF-UHFFFAOYSA-N 2 2 317.437 0.313 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2cncn2C)CC1 ZINC001753074254 1188492682 /nfs/dbraw/zinc/49/26/82/1188492682.db2.gz FGBDSSKVJJZKCF-UHFFFAOYSA-N 2 2 317.437 0.313 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001753235609 1188543643 /nfs/dbraw/zinc/54/36/43/1188543643.db2.gz HHURAOBQHXBGGK-UONOGXRCSA-N 2 2 319.409 0.020 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C ZINC001754152656 1188761569 /nfs/dbraw/zinc/76/15/69/1188761569.db2.gz QUEROAZVJWFKGU-ARJAWSKDSA-N 2 2 304.394 0.265 20 30 DCEDLP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001754698746 1188908689 /nfs/dbraw/zinc/90/86/89/1188908689.db2.gz RUHPODDEJRBPHN-RHSMWYFYSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754758063 1188925314 /nfs/dbraw/zinc/92/53/14/1188925314.db2.gz YBCAIMVPSOSSGR-CKEIUWERSA-N 2 2 318.421 0.653 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001754758063 1188925317 /nfs/dbraw/zinc/92/53/17/1188925317.db2.gz YBCAIMVPSOSSGR-CKEIUWERSA-N 2 2 318.421 0.653 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001755448325 1189115239 /nfs/dbraw/zinc/11/52/39/1189115239.db2.gz QYHXVBOXYSEXRX-ZBFHGGJFSA-N 2 2 318.421 0.582 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755790244 1189214237 /nfs/dbraw/zinc/21/42/37/1189214237.db2.gz FFOOCWBAMFWFRK-LSDHHAIUSA-N 2 2 320.437 0.821 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001755859349 1189238053 /nfs/dbraw/zinc/23/80/53/1189238053.db2.gz OQKFXDITNUDCPK-UHFFFAOYSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555357 751465739 /nfs/dbraw/zinc/46/57/39/751465739.db2.gz LGMYDRTVKAKVAM-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555357 751465744 /nfs/dbraw/zinc/46/57/44/751465744.db2.gz LGMYDRTVKAKVAM-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555357 751465749 /nfs/dbraw/zinc/46/57/49/751465749.db2.gz LGMYDRTVKAKVAM-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555357 751465755 /nfs/dbraw/zinc/46/57/55/751465755.db2.gz LGMYDRTVKAKVAM-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314197 751576153 /nfs/dbraw/zinc/57/61/53/751576153.db2.gz NHVXYNHQGMMQLR-ZBFHGGJFSA-N 2 2 300.406 0.909 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314197 751576158 /nfs/dbraw/zinc/57/61/58/751576158.db2.gz NHVXYNHQGMMQLR-ZBFHGGJFSA-N 2 2 300.406 0.909 20 30 DCEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001125220533 751843475 /nfs/dbraw/zinc/84/34/75/751843475.db2.gz ISWCUXBPHDHHBI-OAHLLOKOSA-N 2 2 320.368 0.234 20 30 DCEDLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001125220533 751843482 /nfs/dbraw/zinc/84/34/82/751843482.db2.gz ISWCUXBPHDHHBI-OAHLLOKOSA-N 2 2 320.368 0.234 20 30 DCEDLP C=CCOCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872860 747008112 /nfs/dbraw/zinc/00/81/12/747008112.db2.gz WETBCOURIJGEFD-UHFFFAOYSA-N 2 2 320.437 0.993 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548398 747214033 /nfs/dbraw/zinc/21/40/33/747214033.db2.gz SETNPHKTKUVHOC-UHFFFAOYSA-N 2 2 304.394 0.179 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548398 747214039 /nfs/dbraw/zinc/21/40/39/747214039.db2.gz SETNPHKTKUVHOC-UHFFFAOYSA-N 2 2 304.394 0.179 20 30 DCEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@@H+](C)CC)C2)nn1 ZINC001105272623 748096299 /nfs/dbraw/zinc/09/62/99/748096299.db2.gz NXLASJYWJIIKIE-UHFFFAOYSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)[N@H+](C)CC)C2)nn1 ZINC001105272623 748096301 /nfs/dbraw/zinc/09/63/01/748096301.db2.gz NXLASJYWJIIKIE-UHFFFAOYSA-N 2 2 318.425 0.115 20 30 DCEDLP 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ZINC001083535847 750116807 /nfs/dbraw/zinc/11/68/07/750116807.db2.gz PPWFOXPPAVQRIV-PMPSAXMXSA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC=C(C)C)C[C@@H]1O ZINC001083535847 750116812 /nfs/dbraw/zinc/11/68/12/750116812.db2.gz PPWFOXPPAVQRIV-PMPSAXMXSA-N 2 2 305.422 0.212 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132896 750213303 /nfs/dbraw/zinc/21/33/03/750213303.db2.gz AVRLYPLLZREOBW-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132896 750213305 /nfs/dbraw/zinc/21/33/05/750213305.db2.gz AVRLYPLLZREOBW-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132896 750213308 /nfs/dbraw/zinc/21/33/08/750213308.db2.gz AVRLYPLLZREOBW-BRWVUGGUSA-N 2 2 319.449 0.578 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132896 750213309 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C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053925938 756282771 /nfs/dbraw/zinc/28/27/71/756282771.db2.gz SGXCKNKUCZMYCU-HNNXBMFYSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054228624 756412093 /nfs/dbraw/zinc/41/20/93/756412093.db2.gz VBQBUFNRFWHNFI-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001054228624 756412097 /nfs/dbraw/zinc/41/20/97/756412097.db2.gz VBQBUFNRFWHNFI-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1OC ZINC001081811159 756818531 /nfs/dbraw/zinc/81/85/31/756818531.db2.gz KFBVHGOSAUILQO-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1OC ZINC001081811159 756818537 /nfs/dbraw/zinc/81/85/37/756818537.db2.gz KFBVHGOSAUILQO-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1OC ZINC001081811159 756818544 /nfs/dbraw/zinc/81/85/44/756818544.db2.gz KFBVHGOSAUILQO-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC(C)C)C[C@H]1OC ZINC001081811159 756818545 /nfs/dbraw/zinc/81/85/45/756818545.db2.gz KFBVHGOSAUILQO-IXDOHACOSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001082329742 757038242 /nfs/dbraw/zinc/03/82/42/757038242.db2.gz IQLGRODIWVIJPF-GDBMZVCRSA-N 2 2 316.405 0.600 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001082329742 757038247 /nfs/dbraw/zinc/03/82/47/757038247.db2.gz IQLGRODIWVIJPF-GDBMZVCRSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H]1C ZINC001082700772 757235562 /nfs/dbraw/zinc/23/55/62/757235562.db2.gz RTBMBGQGFLPNJN-DJIMGWMZSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082700772 757235563 /nfs/dbraw/zinc/23/55/63/757235563.db2.gz RTBMBGQGFLPNJN-DJIMGWMZSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001082934623 757335311 /nfs/dbraw/zinc/33/53/11/757335311.db2.gz RQRFTGXMOQCFNF-FVQBIDKESA-N 2 2 305.422 0.167 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083939044 757560631 /nfs/dbraw/zinc/56/06/31/757560631.db2.gz VKAORCMBZLSTOY-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083939044 757560638 /nfs/dbraw/zinc/56/06/38/757560638.db2.gz VKAORCMBZLSTOY-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939044 757560644 /nfs/dbraw/zinc/56/06/44/757560644.db2.gz VKAORCMBZLSTOY-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939044 757560650 /nfs/dbraw/zinc/56/06/50/757560650.db2.gz VKAORCMBZLSTOY-PMPSAXMXSA-N 2 2 307.438 0.436 20 30 DCEDLP C[N@H+](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCC1 ZINC001052036743 759133345 /nfs/dbraw/zinc/13/33/45/759133345.db2.gz UEQYDHFRXXUGFQ-INIZCTEOSA-N 2 2 319.453 0.213 20 30 DCEDLP C[N@@H+](CC(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1)C1CCC1 ZINC001052036743 759133350 /nfs/dbraw/zinc/13/33/50/759133350.db2.gz UEQYDHFRXXUGFQ-INIZCTEOSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CCC[N@@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445196 760268863 /nfs/dbraw/zinc/26/88/63/760268863.db2.gz OACCCBZUNYLCBU-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CCC[N@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445196 760268869 /nfs/dbraw/zinc/26/88/69/760268869.db2.gz OACCCBZUNYLCBU-UHFFFAOYSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445247 760272817 /nfs/dbraw/zinc/27/28/17/760272817.db2.gz QVSLHLYZGOUTLT-UHFFFAOYSA-N 2 2 304.394 0.192 20 30 DCEDLP C#CC[N@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445247 760272820 /nfs/dbraw/zinc/27/28/20/760272820.db2.gz QVSLHLYZGOUTLT-UHFFFAOYSA-N 2 2 304.394 0.192 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835251 761071332 /nfs/dbraw/zinc/07/13/32/761071332.db2.gz MPBSCXTWSCEHGD-XHSDSOJGSA-N 2 2 316.405 0.502 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975906 761627293 /nfs/dbraw/zinc/62/72/93/761627293.db2.gz JIEVUCBMHNKLKR-KBMXLJTQSA-N 2 2 316.405 0.334 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001109975906 761627299 /nfs/dbraw/zinc/62/72/99/761627299.db2.gz JIEVUCBMHNKLKR-KBMXLJTQSA-N 2 2 316.405 0.334 20 30 DCEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071215922 761712695 /nfs/dbraw/zinc/71/26/95/761712695.db2.gz IZFYDIMIRUUEHE-BBRMVZONSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@H](C)O2 ZINC001071215922 761712701 /nfs/dbraw/zinc/71/27/01/761712701.db2.gz IZFYDIMIRUUEHE-BBRMVZONSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071223427 761719793 /nfs/dbraw/zinc/71/97/93/761719793.db2.gz NUGGQTUWAAUCAZ-CJNGLKHVSA-N 2 2 304.394 0.830 20 30 DCEDLP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071223427 761719801 /nfs/dbraw/zinc/71/98/01/761719801.db2.gz NUGGQTUWAAUCAZ-CJNGLKHVSA-N 2 2 304.394 0.830 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csc(C)n1 ZINC001129790943 763005214 /nfs/dbraw/zinc/00/52/14/763005214.db2.gz OMBPRTNKZUVHRB-AWEZNQCLSA-N 2 2 306.435 0.755 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csc(C)n1 ZINC001129790943 763005221 /nfs/dbraw/zinc/00/52/21/763005221.db2.gz OMBPRTNKZUVHRB-AWEZNQCLSA-N 2 2 306.435 0.755 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001129770268 763007272 /nfs/dbraw/zinc/00/72/72/763007272.db2.gz DGLXTUWSPXJRDJ-HIFRSBDPSA-N 2 2 301.394 0.341 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001129770268 763007276 /nfs/dbraw/zinc/00/72/76/763007276.db2.gz DGLXTUWSPXJRDJ-HIFRSBDPSA-N 2 2 301.394 0.341 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804244 763050898 /nfs/dbraw/zinc/05/08/98/763050898.db2.gz KJYPSMRWSOFSKA-KBPBESRZSA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099804244 763050902 /nfs/dbraw/zinc/05/09/02/763050902.db2.gz KJYPSMRWSOFSKA-KBPBESRZSA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871858 763089029 /nfs/dbraw/zinc/08/90/29/763089029.db2.gz LBOFOXDJQRFXGH-HUUCEWRRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871858 763089031 /nfs/dbraw/zinc/08/90/31/763089031.db2.gz LBOFOXDJQRFXGH-HUUCEWRRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871858 763089038 /nfs/dbraw/zinc/08/90/38/763089038.db2.gz LBOFOXDJQRFXGH-HUUCEWRRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871858 763089044 /nfs/dbraw/zinc/08/90/44/763089044.db2.gz LBOFOXDJQRFXGH-HUUCEWRRSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871856 763090781 /nfs/dbraw/zinc/09/07/81/763090781.db2.gz LBOFOXDJQRFXGH-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871856 763090786 /nfs/dbraw/zinc/09/07/86/763090786.db2.gz LBOFOXDJQRFXGH-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871856 763090792 /nfs/dbraw/zinc/09/07/92/763090792.db2.gz LBOFOXDJQRFXGH-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871856 763090794 /nfs/dbraw/zinc/09/07/94/763090794.db2.gz LBOFOXDJQRFXGH-CABCVRRESA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871646 763090865 /nfs/dbraw/zinc/09/08/65/763090865.db2.gz INKZWBWZXNOKFI-HUUCEWRRSA-N 2 2 322.409 0.096 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871646 763090871 /nfs/dbraw/zinc/09/08/71/763090871.db2.gz INKZWBWZXNOKFI-HUUCEWRRSA-N 2 2 322.409 0.096 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100035124 763239666 /nfs/dbraw/zinc/23/96/66/763239666.db2.gz XVYUCPPCFJRFRC-HUUCEWRRSA-N 2 2 304.394 0.156 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100035124 763239680 /nfs/dbraw/zinc/23/96/80/763239680.db2.gz XVYUCPPCFJRFRC-HUUCEWRRSA-N 2 2 304.394 0.156 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798531 768136142 /nfs/dbraw/zinc/13/61/42/768136142.db2.gz ZMNMGNVPBKMRHI-DAYGRLMNSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC001091798531 768136144 /nfs/dbraw/zinc/13/61/44/768136144.db2.gz ZMNMGNVPBKMRHI-DAYGRLMNSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091795482 768136632 /nfs/dbraw/zinc/13/66/32/768136632.db2.gz ZQKYOXWUINBOAZ-DAYGRLMNSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC001091795482 768136638 /nfs/dbraw/zinc/13/66/38/768136638.db2.gz ZQKYOXWUINBOAZ-DAYGRLMNSA-N 2 2 312.417 0.859 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222003 764319688 /nfs/dbraw/zinc/31/96/88/764319688.db2.gz RPPUAENMBPBOIC-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222003 764319694 /nfs/dbraw/zinc/31/96/94/764319694.db2.gz RPPUAENMBPBOIC-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235778 765415895 /nfs/dbraw/zinc/41/58/95/765415895.db2.gz UMQIEVPAXARJKQ-QWHCGFSZSA-N 2 2 321.425 0.517 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)c1nccn12 ZINC001092412868 768301795 /nfs/dbraw/zinc/30/17/95/768301795.db2.gz MEMISTVCWDLOOO-AWEZNQCLSA-N 2 2 315.421 0.737 20 30 DCEDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)cn2)CCC1=O ZINC001144163355 766821057 /nfs/dbraw/zinc/82/10/57/766821057.db2.gz DAAQEBCQPFIKAH-UHFFFAOYSA-N 2 2 301.394 0.549 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092979861 768429170 /nfs/dbraw/zinc/42/91/70/768429170.db2.gz NEBOLCJJAQQXNE-KBUPBQIOSA-N 2 2 300.406 0.841 20 30 DCEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C1 ZINC001092979861 768429174 /nfs/dbraw/zinc/42/91/74/768429174.db2.gz NEBOLCJJAQQXNE-KBUPBQIOSA-N 2 2 300.406 0.841 20 30 DCEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202904889 768459289 /nfs/dbraw/zinc/45/92/89/768459289.db2.gz XXVGJMRVNIVURU-INIZCTEOSA-N 2 2 306.454 0.557 20 30 DCEDLP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202904891 768459423 /nfs/dbraw/zinc/45/94/23/768459423.db2.gz XXVGJMRVNIVURU-MRXNPFEDSA-N 2 2 306.454 0.557 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001093516519 768596048 /nfs/dbraw/zinc/59/60/48/768596048.db2.gz NDFTZCCOLNZJHJ-MRXNPFEDSA-N 2 2 307.438 0.958 20 30 DCEDLP C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093516519 768596049 /nfs/dbraw/zinc/59/60/49/768596049.db2.gz NDFTZCCOLNZJHJ-MRXNPFEDSA-N 2 2 307.438 0.958 20 30 DCEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001093517171 768596337 /nfs/dbraw/zinc/59/63/37/768596337.db2.gz XIXKUVLEMVNBKB-KRWDZBQOSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093517171 768596343 /nfs/dbraw/zinc/59/63/43/768596343.db2.gz XIXKUVLEMVNBKB-KRWDZBQOSA-N 2 2 319.449 0.796 20 30 DCEDLP COCCC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)NO)CC1 ZINC001172249956 769465872 /nfs/dbraw/zinc/46/58/72/769465872.db2.gz QUWJJRDBDCXHBW-AWEZNQCLSA-N 2 2 301.431 0.997 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346318 769631468 /nfs/dbraw/zinc/63/14/68/769631468.db2.gz SIAXCGHZXXAQFS-DLBZAZTESA-N 2 2 319.449 0.511 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346318 769631473 /nfs/dbraw/zinc/63/14/73/769631473.db2.gz SIAXCGHZXXAQFS-DLBZAZTESA-N 2 2 319.449 0.511 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCOCC ZINC001235473935 769852221 /nfs/dbraw/zinc/85/22/21/769852221.db2.gz YOEPQEDOOYEFQR-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCOCC ZINC001235473935 769852236 /nfs/dbraw/zinc/85/22/36/769852236.db2.gz YOEPQEDOOYEFQR-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCOCC ZINC001235473935 769852249 /nfs/dbraw/zinc/85/22/49/769852249.db2.gz YOEPQEDOOYEFQR-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCOCC ZINC001235473935 769852263 /nfs/dbraw/zinc/85/22/63/769852263.db2.gz YOEPQEDOOYEFQR-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829971 770180058 /nfs/dbraw/zinc/18/00/58/770180058.db2.gz WRMDTZVQKXOIMJ-CQSZACIVSA-N 2 2 321.425 0.450 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179787784 771016435 /nfs/dbraw/zinc/01/64/35/771016435.db2.gz YBOYZXVSVFYSLR-AGIUHOORSA-N 2 2 319.409 0.222 20 30 DCEDLP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001182719569 771532910 /nfs/dbraw/zinc/53/29/10/771532910.db2.gz QREKPIUBBLQCRY-CQSZACIVSA-N 2 2 300.406 0.976 20 30 DCEDLP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996415 771587499 /nfs/dbraw/zinc/58/74/99/771587499.db2.gz BGLGTCYBYDCQLU-RHSMWYFYSA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492396 771788407 /nfs/dbraw/zinc/78/84/07/771788407.db2.gz RLHDZQWDQJZPTD-CQSZACIVSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nncs1 ZINC001160209448 772008914 /nfs/dbraw/zinc/00/89/14/772008914.db2.gz KOFXWGMBQGZELN-LBPRGKRZSA-N 2 2 307.423 0.232 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nncs1 ZINC001160209448 772008919 /nfs/dbraw/zinc/00/89/19/772008919.db2.gz KOFXWGMBQGZELN-LBPRGKRZSA-N 2 2 307.423 0.232 20 30 DCEDLP N#CCC[NH2+]CC(=O)N(Cc1cccnc1)[C@H]1CCC[NH2+]C1 ZINC001161274114 772195529 /nfs/dbraw/zinc/19/55/29/772195529.db2.gz OBILNWTZMQHXJM-HNNXBMFYSA-N 2 2 301.394 0.665 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189245934 772443421 /nfs/dbraw/zinc/44/34/21/772443421.db2.gz IJFNLBDGIYGZMT-DZGCQCFKSA-N 2 2 302.378 0.135 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189245934 772443424 /nfs/dbraw/zinc/44/34/24/772443424.db2.gz IJFNLBDGIYGZMT-DZGCQCFKSA-N 2 2 302.378 0.135 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203802956 772925055 /nfs/dbraw/zinc/92/50/55/772925055.db2.gz LFLNXACECAYVTF-HUUCEWRRSA-N 2 2 316.405 0.550 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001205553119 773000512 /nfs/dbraw/zinc/00/05/12/773000512.db2.gz PASXDFAAZBDTIP-HNNXBMFYSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461574 773190022 /nfs/dbraw/zinc/19/00/22/773190022.db2.gz ZDGHYAZRINSJBN-UONOGXRCSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194461574 773190024 /nfs/dbraw/zinc/19/00/24/773190024.db2.gz ZDGHYAZRINSJBN-UONOGXRCSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195275769 773363310 /nfs/dbraw/zinc/36/33/10/773363310.db2.gz UTQBZLICRRJANB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001195275769 773363317 /nfs/dbraw/zinc/36/33/17/773363317.db2.gz UTQBZLICRRJANB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001195275769 773363325 /nfs/dbraw/zinc/36/33/25/773363325.db2.gz UTQBZLICRRJANB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001195275769 773363332 /nfs/dbraw/zinc/36/33/32/773363332.db2.gz UTQBZLICRRJANB-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775219 773797787 /nfs/dbraw/zinc/79/77/87/773797787.db2.gz FVDJJHOPPNMGED-BPLDGKMQSA-N 2 2 306.410 0.479 20 30 DCEDLP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197775219 773797791 /nfs/dbraw/zinc/79/77/91/773797791.db2.gz FVDJJHOPPNMGED-BPLDGKMQSA-N 2 2 306.410 0.479 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197922134 773823389 /nfs/dbraw/zinc/82/33/89/773823389.db2.gz IQOPDUSXMRFWGK-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001197922134 773823392 /nfs/dbraw/zinc/82/33/92/773823392.db2.gz IQOPDUSXMRFWGK-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197922134 773823396 /nfs/dbraw/zinc/82/33/96/773823396.db2.gz IQOPDUSXMRFWGK-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197922134 773823399 /nfs/dbraw/zinc/82/33/99/773823399.db2.gz IQOPDUSXMRFWGK-OAHLLOKOSA-N 2 2 322.453 0.000 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119304 774042749 /nfs/dbraw/zinc/04/27/49/774042749.db2.gz AQYKQAFEWLZQIV-ZACQAIPSSA-N 2 2 315.417 0.474 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119304 774042753 /nfs/dbraw/zinc/04/27/53/774042753.db2.gz AQYKQAFEWLZQIV-ZACQAIPSSA-N 2 2 315.417 0.474 20 30 DCEDLP N#Cc1cc2cccnc2nc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218542901 774241915 /nfs/dbraw/zinc/24/19/15/774241915.db2.gz QCCGHGAWAXGJSO-HSMVNMDESA-N 2 2 308.345 0.662 20 30 DCEDLP CC1(C)C[NH2+][C@H](C(=O)Nc2sc3c(c2C#N)CC[NH2+]C3)CO1 ZINC001218553857 774246266 /nfs/dbraw/zinc/24/62/66/774246266.db2.gz SIVJPHHTNQGJOK-NSHDSACASA-N 2 2 320.418 0.971 20 30 DCEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218966204 774336325 /nfs/dbraw/zinc/33/63/25/774336325.db2.gz XSFIYNUDSSKEQT-JKSUJKDBSA-N 2 2 318.421 0.840 20 30 DCEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001218966204 774336332 /nfs/dbraw/zinc/33/63/32/774336332.db2.gz XSFIYNUDSSKEQT-JKSUJKDBSA-N 2 2 318.421 0.840 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200728909 774401628 /nfs/dbraw/zinc/40/16/28/774401628.db2.gz LJNKDQAOAYIPTD-RRFJBIMHSA-N 2 2 316.405 0.744 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200728909 774401632 /nfs/dbraw/zinc/40/16/32/774401632.db2.gz LJNKDQAOAYIPTD-RRFJBIMHSA-N 2 2 316.405 0.744 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCCO1 ZINC001200843103 774415318 /nfs/dbraw/zinc/41/53/18/774415318.db2.gz XNRRAZMGOOVHOR-GJZGRUSLSA-N 2 2 316.405 0.286 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200843109 774415693 /nfs/dbraw/zinc/41/56/93/774415693.db2.gz XQMVEXSGSZPSTE-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201611632 774532192 /nfs/dbraw/zinc/53/21/92/774532192.db2.gz HAOIUFMRKWABNF-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201611632 774532195 /nfs/dbraw/zinc/53/21/95/774532195.db2.gz HAOIUFMRKWABNF-GDBMZVCRSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201611634 774532488 /nfs/dbraw/zinc/53/24/88/774532488.db2.gz HAOIUFMRKWABNF-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201611634 774532490 /nfs/dbraw/zinc/53/24/90/774532490.db2.gz HAOIUFMRKWABNF-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201976023 774582853 /nfs/dbraw/zinc/58/28/53/774582853.db2.gz PCQYRZPGEWXKIX-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001201976022 774583209 /nfs/dbraw/zinc/58/32/09/774583209.db2.gz PCQYRZPGEWXKIX-HNNXBMFYSA-N 2 2 304.394 0.193 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853117 774629220 /nfs/dbraw/zinc/62/92/20/774629220.db2.gz GCYCREHZVUDNFT-PMPSAXMXSA-N 2 2 318.421 0.655 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853117 774629222 /nfs/dbraw/zinc/62/92/22/774629222.db2.gz GCYCREHZVUDNFT-PMPSAXMXSA-N 2 2 318.421 0.655 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893866 774639907 /nfs/dbraw/zinc/63/99/07/774639907.db2.gz OYRBSLVQOMZZRQ-IMJJTQAJSA-N 2 2 318.421 0.573 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219893866 774639911 /nfs/dbraw/zinc/63/99/11/774639911.db2.gz OYRBSLVQOMZZRQ-IMJJTQAJSA-N 2 2 318.421 0.573 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091155 774992848 /nfs/dbraw/zinc/99/28/48/774992848.db2.gz DKOXSHUJRRETOJ-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP COCC#CC[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001228274245 776062914 /nfs/dbraw/zinc/06/29/14/776062914.db2.gz SJPRMXJRWLWQCD-UHFFFAOYSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001267090600 939337558 /nfs/dbraw/zinc/33/75/58/939337558.db2.gz JTJYFGJODBLRQC-GJZGRUSLSA-N 2 2 318.421 0.629 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304890 939420915 /nfs/dbraw/zinc/42/09/15/939420915.db2.gz NBXHSWPNYASMPL-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267304890 939420916 /nfs/dbraw/zinc/42/09/16/939420916.db2.gz NBXHSWPNYASMPL-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001267552802 939498864 /nfs/dbraw/zinc/49/88/64/939498864.db2.gz UCMRTJAUBIYUAR-INIZCTEOSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001267552802 939498865 /nfs/dbraw/zinc/49/88/65/939498865.db2.gz UCMRTJAUBIYUAR-INIZCTEOSA-N 2 2 318.421 0.751 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001267572939 939518255 /nfs/dbraw/zinc/51/82/55/939518255.db2.gz CBVWLUBAUWTPAV-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001267572939 939518256 /nfs/dbraw/zinc/51/82/56/939518256.db2.gz CBVWLUBAUWTPAV-OAHLLOKOSA-N 2 2 307.442 0.070 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267619938 939593035 /nfs/dbraw/zinc/59/30/35/939593035.db2.gz KRWBCPKVHQOKMG-GDBMZVCRSA-N 2 2 324.469 0.455 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267619938 939593036 /nfs/dbraw/zinc/59/30/36/939593036.db2.gz KRWBCPKVHQOKMG-GDBMZVCRSA-N 2 2 324.469 0.455 20 30 DCEDLP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001267929765 939707289 /nfs/dbraw/zinc/70/72/89/939707289.db2.gz QBMXRUQHZJBHMC-HDJSIYSDSA-N 2 2 304.394 0.619 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001481672937 940028628 /nfs/dbraw/zinc/02/86/28/940028628.db2.gz NBSJOSJFSVIIEW-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001481672937 940028631 /nfs/dbraw/zinc/02/86/31/940028631.db2.gz NBSJOSJFSVIIEW-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481672937 940028634 /nfs/dbraw/zinc/02/86/34/940028634.db2.gz NBSJOSJFSVIIEW-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP COCC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481672937 940028637 /nfs/dbraw/zinc/02/86/37/940028637.db2.gz NBSJOSJFSVIIEW-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccn2)CC1 ZINC001269428900 940705317 /nfs/dbraw/zinc/70/53/17/940705317.db2.gz WOUVNVHLRADOCI-INIZCTEOSA-N 2 2 312.417 0.918 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccccn2)CC1 ZINC001269428900 940705322 /nfs/dbraw/zinc/70/53/22/940705322.db2.gz WOUVNVHLRADOCI-INIZCTEOSA-N 2 2 312.417 0.918 20 30 DCEDLP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001271166499 941306631 /nfs/dbraw/zinc/30/66/31/941306631.db2.gz CTJXUAIIJIGMHX-QGZVFWFLSA-N 2 2 312.373 0.524 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001271166499 941306633 /nfs/dbraw/zinc/30/66/33/941306633.db2.gz CTJXUAIIJIGMHX-QGZVFWFLSA-N 2 2 312.373 0.524 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001483704568 942709949 /nfs/dbraw/zinc/70/99/49/942709949.db2.gz BTQDFIXUZNRGNM-CABCVRRESA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)C1=O ZINC001483704568 942709952 /nfs/dbraw/zinc/70/99/52/942709952.db2.gz BTQDFIXUZNRGNM-CABCVRRESA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001483704568 942709953 /nfs/dbraw/zinc/70/99/53/942709953.db2.gz BTQDFIXUZNRGNM-CABCVRRESA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)C(C)C)C1=O ZINC001483704568 942709958 /nfs/dbraw/zinc/70/99/58/942709958.db2.gz BTQDFIXUZNRGNM-CABCVRRESA-N 2 2 322.453 0.304 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCO1 ZINC001484690254 943512001 /nfs/dbraw/zinc/51/20/01/943512001.db2.gz MQRXRFIGOYMRPQ-HUUCEWRRSA-N 2 2 304.394 0.675 20 30 DCEDLP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484857348 943602672 /nfs/dbraw/zinc/60/26/72/943602672.db2.gz YBPRQQNWCKOTBF-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001491157520 943794736 /nfs/dbraw/zinc/79/47/36/943794736.db2.gz PTMACWXKQUPJGX-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485321438 943828347 /nfs/dbraw/zinc/82/83/47/943828347.db2.gz WQJIAKMWUOYLAQ-LSDHHAIUSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485321438 943828351 /nfs/dbraw/zinc/82/83/51/943828351.db2.gz WQJIAKMWUOYLAQ-LSDHHAIUSA-N 2 2 318.421 0.532 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nccnc1C ZINC001493580044 944082479 /nfs/dbraw/zinc/08/24/79/944082479.db2.gz ULKZUOPLRYRLFI-INIZCTEOSA-N 2 2 315.421 0.431 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nccnc1C ZINC001493580044 944082485 /nfs/dbraw/zinc/08/24/85/944082485.db2.gz ULKZUOPLRYRLFI-INIZCTEOSA-N 2 2 315.421 0.431 20 30 DCEDLP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001486339287 944802648 /nfs/dbraw/zinc/80/26/48/944802648.db2.gz SJURFQATHPDABP-ZDUSSCGKSA-N 2 2 300.362 0.332 20 30 DCEDLP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001486339287 944802654 /nfs/dbraw/zinc/80/26/54/944802654.db2.gz SJURFQATHPDABP-ZDUSSCGKSA-N 2 2 300.362 0.332 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001277953616 945057895 /nfs/dbraw/zinc/05/78/95/945057895.db2.gz CYBLORYAGYXGAM-HUUCEWRRSA-N 2 2 306.410 0.921 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001319309255 945551089 /nfs/dbraw/zinc/55/10/89/945551089.db2.gz POVGIESJMQPOJU-UONOGXRCSA-N 2 2 301.406 0.669 20 30 DCEDLP C=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001319309255 945551095 /nfs/dbraw/zinc/55/10/95/945551095.db2.gz POVGIESJMQPOJU-UONOGXRCSA-N 2 2 301.406 0.669 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001319470944 945595964 /nfs/dbraw/zinc/59/59/64/945595964.db2.gz AEGHCMNRZRLCLO-OCCSQVGLSA-N 2 2 305.382 0.104 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001319470944 945595966 /nfs/dbraw/zinc/59/59/66/945595966.db2.gz AEGHCMNRZRLCLO-OCCSQVGLSA-N 2 2 305.382 0.104 20 30 DCEDLP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278567420 945659009 /nfs/dbraw/zinc/65/90/09/945659009.db2.gz FIGFUGOVYQWTHQ-MRXNPFEDSA-N 2 2 306.410 0.983 20 30 DCEDLP C#CCOC[C@@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001251858433 945800920 /nfs/dbraw/zinc/80/09/20/945800920.db2.gz YFMKMWNYZOVKAI-AWEZNQCLSA-N 2 2 305.378 0.223 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nonc1C ZINC001320450117 945881862 /nfs/dbraw/zinc/88/18/62/945881862.db2.gz LJCLYBKGSZWPKR-WFASDCNBSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nonc1C ZINC001320450117 945881875 /nfs/dbraw/zinc/88/18/75/945881875.db2.gz LJCLYBKGSZWPKR-WFASDCNBSA-N 2 2 319.409 0.460 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)C1=O ZINC001320651870 945963157 /nfs/dbraw/zinc/96/31/57/945963157.db2.gz HPPWGGBEJPIOOB-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320859835 946046095 /nfs/dbraw/zinc/04/60/95/946046095.db2.gz XTEPNLOMLPUGKM-OSYLJGHBSA-N 2 2 310.438 0.901 20 30 DCEDLP C=CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320859835 946046109 /nfs/dbraw/zinc/04/61/09/946046109.db2.gz XTEPNLOMLPUGKM-OSYLJGHBSA-N 2 2 310.438 0.901 20 30 DCEDLP C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320859835 946046118 /nfs/dbraw/zinc/04/61/18/946046118.db2.gz XTEPNLOMLPUGKM-OSYLJGHBSA-N 2 2 310.438 0.901 20 30 DCEDLP C=CCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320859835 946046129 /nfs/dbraw/zinc/04/61/29/946046129.db2.gz XTEPNLOMLPUGKM-OSYLJGHBSA-N 2 2 310.438 0.901 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321560731 946378656 /nfs/dbraw/zinc/37/86/56/946378656.db2.gz VKHDNEGRRQSENG-ZIAGYGMSSA-N 2 2 306.410 0.742 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001324097190 947313294 /nfs/dbraw/zinc/31/32/94/947313294.db2.gz IDOLYXVCTSLQGF-HIFRSBDPSA-N 2 2 318.421 0.880 20 30 DCEDLP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC#C)CC1 ZINC001324440751 947426645 /nfs/dbraw/zinc/42/66/45/947426645.db2.gz YZKNLGOFOVDNBF-UHFFFAOYSA-N 2 2 312.417 0.912 20 30 DCEDLP C[NH+](C)CC1(C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC1 ZINC001324559409 947455754 /nfs/dbraw/zinc/45/57/54/947455754.db2.gz HHTHXPZWLVTRDU-HNNXBMFYSA-N 2 2 319.453 0.070 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCOCC1 ZINC001325029529 947616785 /nfs/dbraw/zinc/61/67/85/947616785.db2.gz VGPDUHHPBJHUOF-CQSZACIVSA-N 2 2 304.394 0.722 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001325230834 947716726 /nfs/dbraw/zinc/71/67/26/947716726.db2.gz ANZAZPBVTOTCET-HUUCEWRRSA-N 2 2 309.454 0.988 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001325230834 947716740 /nfs/dbraw/zinc/71/67/40/947716740.db2.gz ANZAZPBVTOTCET-HUUCEWRRSA-N 2 2 309.454 0.988 20 30 DCEDLP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001327005141 948361278 /nfs/dbraw/zinc/36/12/78/948361278.db2.gz RPGQIIHUOZWKLC-ZBFHGGJFSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001264080769 948873951 /nfs/dbraw/zinc/87/39/51/948873951.db2.gz VNJVAAZUPUMNMF-MRXNPFEDSA-N 2 2 318.421 0.271 20 30 DCEDLP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001264080769 948873963 /nfs/dbraw/zinc/87/39/63/948873963.db2.gz VNJVAAZUPUMNMF-MRXNPFEDSA-N 2 2 318.421 0.271 20 30 DCEDLP N#CC[C@]1(O)CC[N@H+](C/C=C/C[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC001328399260 948874805 /nfs/dbraw/zinc/87/48/05/948874805.db2.gz YYNARZKVAJLQFS-YVFUIXNUSA-N 2 2 304.394 0.244 20 30 DCEDLP N#CC[C@]1(O)CC[N@@H+](C/C=C/C[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC001328399260 948874823 /nfs/dbraw/zinc/87/48/23/948874823.db2.gz YYNARZKVAJLQFS-YVFUIXNUSA-N 2 2 304.394 0.244 20 30 DCEDLP N#CC[C@]1(O)CC[NH+](C/C=C/C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001328399260 948874838 /nfs/dbraw/zinc/87/48/38/948874838.db2.gz YYNARZKVAJLQFS-YVFUIXNUSA-N 2 2 304.394 0.244 20 30 DCEDLP N#CC[C@]1(O)CC[NH+](C/C=C/C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001328399260 948874860 /nfs/dbraw/zinc/87/48/60/948874860.db2.gz YYNARZKVAJLQFS-YVFUIXNUSA-N 2 2 304.394 0.244 20 30 DCEDLP N#CCN1CC[NH+](CCCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001265254387 949500417 /nfs/dbraw/zinc/50/04/17/949500417.db2.gz JYVKBCZSEJNXHY-UHFFFAOYSA-N 2 2 318.425 0.311 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001265491773 949724616 /nfs/dbraw/zinc/72/46/16/949724616.db2.gz CASRABIYNRLLDV-BFYDXBDKSA-N 2 2 319.449 0.890 20 30 DCEDLP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001265491773 949724623 /nfs/dbraw/zinc/72/46/23/949724623.db2.gz CASRABIYNRLLDV-BFYDXBDKSA-N 2 2 319.449 0.890 20 30 DCEDLP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001329718525 949811692 /nfs/dbraw/zinc/81/16/92/949811692.db2.gz XDSBATSWZORNFU-AWEZNQCLSA-N 2 2 306.410 0.791 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281431213 951496703 /nfs/dbraw/zinc/49/67/03/951496703.db2.gz WTRNDYUEYVZNDC-CABCVRRESA-N 2 2 306.410 0.912 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001332528708 951681776 /nfs/dbraw/zinc/68/17/76/951681776.db2.gz KNOOFRRSASZZKN-HIFRSBDPSA-N 2 2 306.410 0.431 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)CCc1c[nH+]cn1C ZINC001274543100 951688035 /nfs/dbraw/zinc/68/80/35/951688035.db2.gz BJTXXWXILFJRCU-ONEGZZNKSA-N 2 2 304.394 0.265 20 30 DCEDLP C#CCC[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001274910095 951885702 /nfs/dbraw/zinc/88/57/02/951885702.db2.gz BCCNHFPEQASMIE-UHFFFAOYSA-N 2 2 304.394 0.309 20 30 DCEDLP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001333201136 951955165 /nfs/dbraw/zinc/95/51/65/951955165.db2.gz AMOSPBYJWOVQLL-CYBMUJFWSA-N 2 2 319.833 0.134 20 30 DCEDLP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001333201136 951955174 /nfs/dbraw/zinc/95/51/74/951955174.db2.gz AMOSPBYJWOVQLL-CYBMUJFWSA-N 2 2 319.833 0.134 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275209515 952009803 /nfs/dbraw/zinc/00/98/03/952009803.db2.gz SKOYQUOOAYIMGI-UONOGXRCSA-N 2 2 304.394 0.190 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001275579948 952284807 /nfs/dbraw/zinc/28/48/07/952284807.db2.gz HYTMTHKOAJLITE-LSDHHAIUSA-N 2 2 306.410 0.796 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001275988295 952592613 /nfs/dbraw/zinc/59/26/13/952592613.db2.gz XQIKBVVDKCLLDM-CQSZACIVSA-N 2 2 306.410 0.439 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001275988295 952592615 /nfs/dbraw/zinc/59/26/15/952592615.db2.gz XQIKBVVDKCLLDM-CQSZACIVSA-N 2 2 306.410 0.439 20 30 DCEDLP C[NH+](C)CC#CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001335968480 952626714 /nfs/dbraw/zinc/62/67/14/952626714.db2.gz GTEMJVQKCADCNH-GOSISDBHSA-N 3 2 301.434 0.778 20 30 DCEDLP C[NH+](C)CC#CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001335968480 952626717 /nfs/dbraw/zinc/62/67/17/952626717.db2.gz GTEMJVQKCADCNH-GOSISDBHSA-N 3 2 301.434 0.778 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC001341627866 953241417 /nfs/dbraw/zinc/24/14/17/953241417.db2.gz UCDLSWQRUUMVKN-AWEZNQCLSA-N 2 2 320.462 0.376 20 30 DCEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001343421101 953345123 /nfs/dbraw/zinc/34/51/23/953345123.db2.gz MYRZFXCPBHNBPW-HNNXBMFYSA-N 2 2 321.425 0.837 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001282538620 953620290 /nfs/dbraw/zinc/62/02/90/953620290.db2.gz AWQVDAPKAFGQFZ-CQSZACIVSA-N 2 2 306.410 0.963 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001282605307 953635121 /nfs/dbraw/zinc/63/51/21/953635121.db2.gz HBDDXQFQASAHPU-HNNXBMFYSA-N 2 2 307.438 0.749 20 30 DCEDLP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001282605307 953635127 /nfs/dbraw/zinc/63/51/27/953635127.db2.gz HBDDXQFQASAHPU-HNNXBMFYSA-N 2 2 307.438 0.749 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001282911597 953753289 /nfs/dbraw/zinc/75/32/89/953753289.db2.gz MKHSYNSUPPZHNU-DOMZBBRYSA-N 2 2 320.393 0.189 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001284516822 955151627 /nfs/dbraw/zinc/15/16/27/955151627.db2.gz PFEYLENHZZBBNZ-HNNXBMFYSA-N 2 2 306.410 0.127 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001284516822 955151629 /nfs/dbraw/zinc/15/16/29/955151629.db2.gz PFEYLENHZZBBNZ-HNNXBMFYSA-N 2 2 306.410 0.127 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@@H+](CC)C2CC2)CC1 ZINC001286473830 956276562 /nfs/dbraw/zinc/27/65/62/956276562.db2.gz YMNYSHGEDIQYMW-UHFFFAOYSA-N 2 2 316.453 0.826 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2CC[N@H+](CC)C2CC2)CC1 ZINC001286473830 956276570 /nfs/dbraw/zinc/27/65/70/956276570.db2.gz YMNYSHGEDIQYMW-UHFFFAOYSA-N 2 2 316.453 0.826 20 30 DCEDLP C#CC[NH2+]CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001357346469 957253839 /nfs/dbraw/zinc/25/38/39/957253839.db2.gz KJNRLVATSFQFOD-UHFFFAOYSA-N 2 2 314.389 0.236 20 30 DCEDLP C#CC[NH2+][C@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001492027191 959564049 /nfs/dbraw/zinc/56/40/49/959564049.db2.gz OLDILEXSWQTFOY-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+][C@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001492027191 959564059 /nfs/dbraw/zinc/56/40/59/959564059.db2.gz OLDILEXSWQTFOY-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001377462662 960139648 /nfs/dbraw/zinc/13/96/48/960139648.db2.gz NITDTEGBKAOYRN-CQSZACIVSA-N 2 2 315.845 0.899 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001377462662 960139653 /nfs/dbraw/zinc/13/96/53/960139653.db2.gz NITDTEGBKAOYRN-CQSZACIVSA-N 2 2 315.845 0.899 20 30 DCEDLP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316745104 960300417 /nfs/dbraw/zinc/30/04/17/960300417.db2.gz DAMZPTKZVSZNQJ-CQSZACIVSA-N 2 2 306.410 0.814 20 30 DCEDLP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316745104 960300427 /nfs/dbraw/zinc/30/04/27/960300427.db2.gz DAMZPTKZVSZNQJ-CQSZACIVSA-N 2 2 306.410 0.814 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001449246294 1014347616 /nfs/dbraw/zinc/34/76/16/1014347616.db2.gz PVSHLRAMTPEFAN-CYBMUJFWSA-N 2 2 314.817 0.695 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001449246294 1014347626 /nfs/dbraw/zinc/34/76/26/1014347626.db2.gz PVSHLRAMTPEFAN-CYBMUJFWSA-N 2 2 314.817 0.695 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001503601073 1016166413 /nfs/dbraw/zinc/16/64/13/1016166413.db2.gz SMFFPXXFXHNXAC-AWEZNQCLSA-N 2 2 306.410 0.487 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001445218027 1011532652 /nfs/dbraw/zinc/53/26/52/1011532652.db2.gz WOPVATSCBLYKLN-LLVKDONJSA-N 2 2 308.769 0.767 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001506652762 1017441262 /nfs/dbraw/zinc/44/12/62/1017441262.db2.gz WFTYBPRXCNEFPP-ZDUSSCGKSA-N 2 2 322.453 0.067 20 30 DCEDLP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001479936178 1018003406 /nfs/dbraw/zinc/00/34/06/1018003406.db2.gz VDNATMBVJMVCDF-INIZCTEOSA-N 2 2 306.454 0.228 20 30 DCEDLP CC#CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001479936178 1018003423 /nfs/dbraw/zinc/00/34/23/1018003423.db2.gz VDNATMBVJMVCDF-INIZCTEOSA-N 2 2 306.454 0.228 20 30 DCEDLP COCC#CC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001495190720 1018384603 /nfs/dbraw/zinc/38/46/03/1018384603.db2.gz DPQVMVHAGQIRHO-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC#C)C1 ZINC001500502472 1018476556 /nfs/dbraw/zinc/47/65/56/1018476556.db2.gz VTIQPRSQMKJGER-WMZOPIPTSA-N 2 2 301.434 0.936 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC#C)C1 ZINC001500502472 1018476565 /nfs/dbraw/zinc/47/65/65/1018476565.db2.gz VTIQPRSQMKJGER-WMZOPIPTSA-N 2 2 301.434 0.936 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC#C)C1 ZINC001500502472 1018476573 /nfs/dbraw/zinc/47/65/73/1018476573.db2.gz VTIQPRSQMKJGER-WMZOPIPTSA-N 2 2 301.434 0.936 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC#C)C1 ZINC001500502472 1018476577 /nfs/dbraw/zinc/47/65/77/1018476577.db2.gz VTIQPRSQMKJGER-WMZOPIPTSA-N 2 2 301.434 0.936 20 30 DCEDLP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001480507170 1018616403 /nfs/dbraw/zinc/61/64/03/1018616403.db2.gz JBSHYJDHUHSHGL-ZNMIVQPWSA-N 2 2 311.426 0.147 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001501070474 1018857158 /nfs/dbraw/zinc/85/71/58/1018857158.db2.gz GJXUPOAOPQBWHR-QWHCGFSZSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001502090421 1019701928 /nfs/dbraw/zinc/70/19/28/1019701928.db2.gz TZSZNDILKUKHAG-GFCCVEGCSA-N 2 2 312.801 0.830 20 30 DCEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001502101741 1019721645 /nfs/dbraw/zinc/72/16/45/1019721645.db2.gz IDJTYKMNECECLM-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP CC#CC[NH+]1CCN([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001502101741 1019721659 /nfs/dbraw/zinc/72/16/59/1019721659.db2.gz IDJTYKMNECECLM-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497002234 1019904900 /nfs/dbraw/zinc/90/49/00/1019904900.db2.gz NWTQGBAHIVKIQW-LLVKDONJSA-N 2 2 308.769 0.996 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497002236 1019905691 /nfs/dbraw/zinc/90/56/91/1019905691.db2.gz NWTQGBAHIVKIQW-NSHDSACASA-N 2 2 308.769 0.996 20 30 DCEDLP CN1CC[NH+]=C1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000262659773 529778945 /nfs/dbraw/zinc/77/89/45/529778945.db2.gz MQEZODSENRTOLK-UHFFFAOYSA-N 2 2 318.421 0.789 20 30 DCEDLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696547 239105934 /nfs/dbraw/zinc/10/59/34/239105934.db2.gz DFIUMYCQGBXQEV-CABCVRRESA-N 2 2 308.426 0.259 20 30 DCEDLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000362696547 239105937 /nfs/dbraw/zinc/10/59/37/239105937.db2.gz DFIUMYCQGBXQEV-CABCVRRESA-N 2 2 308.426 0.259 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000491070911 241108360 /nfs/dbraw/zinc/10/83/60/241108360.db2.gz GMMTZYBXIZMIPP-CHWSQXEVSA-N 2 2 315.364 0.514 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000491616013 241127294 /nfs/dbraw/zinc/12/72/94/241127294.db2.gz HTKUTLJHASZGSS-PBHICJAKSA-N 2 2 307.438 0.557 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961689 396290041 /nfs/dbraw/zinc/29/00/41/396290041.db2.gz QVQXFIXTVKXFHH-RYUDHWBXSA-N 2 2 305.382 0.989 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961689 396290043 /nfs/dbraw/zinc/29/00/43/396290043.db2.gz QVQXFIXTVKXFHH-RYUDHWBXSA-N 2 2 305.382 0.989 20 30 DCEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580049393 396484396 /nfs/dbraw/zinc/48/43/96/396484396.db2.gz QMVREPSXKVRQIP-LBPRGKRZSA-N 2 2 303.366 0.673 20 30 DCEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580049393 396484400 /nfs/dbraw/zinc/48/44/00/396484400.db2.gz QMVREPSXKVRQIP-LBPRGKRZSA-N 2 2 303.366 0.673 20 30 DCEDLP C[N@@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000562765887 396678519 /nfs/dbraw/zinc/67/85/19/396678519.db2.gz UEGXSXAVHDRLEN-JTQLQIEISA-N 2 2 308.773 0.713 20 30 DCEDLP C[N@H+]1CCN(C(=O)Nc2cnc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000562765887 396678521 /nfs/dbraw/zinc/67/85/21/396678521.db2.gz UEGXSXAVHDRLEN-JTQLQIEISA-N 2 2 308.773 0.713 20 30 DCEDLP C[NH+]1CCC([NH+]2CCC(Nc3ncncc3C#N)CC2)CC1 ZINC000578743559 397476896 /nfs/dbraw/zinc/47/68/96/397476896.db2.gz IXWZYYNJMOVCEU-UHFFFAOYSA-N 2 2 300.410 0.741 20 30 DCEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000333425829 415646442 /nfs/dbraw/zinc/64/64/42/415646442.db2.gz GTCIUQBDEDNHDQ-RBSFLKMASA-N 2 2 306.410 0.201 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(=O)N2CC[NH+](CC)CC2)C1=O ZINC000337201927 415926835 /nfs/dbraw/zinc/92/68/35/415926835.db2.gz DNCLDRKCYRMLQM-HUUCEWRRSA-N 2 2 322.453 0.258 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+](C)[C@H](C)C(=O)N2CC[NH+](CC)CC2)C1=O ZINC000337201927 415926839 /nfs/dbraw/zinc/92/68/39/415926839.db2.gz DNCLDRKCYRMLQM-HUUCEWRRSA-N 2 2 322.453 0.258 20 30 DCEDLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329207784 416156301 /nfs/dbraw/zinc/15/63/01/416156301.db2.gz FIZNHHJBQZDRAD-AWEZNQCLSA-N 2 2 318.425 0.649 20 30 DCEDLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000329207784 416156305 /nfs/dbraw/zinc/15/63/05/416156305.db2.gz FIZNHHJBQZDRAD-AWEZNQCLSA-N 2 2 318.425 0.649 20 30 DCEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000328852451 416136461 /nfs/dbraw/zinc/13/64/61/416136461.db2.gz VSLIATZOPNDESO-UHFFFAOYSA-N 2 2 306.370 0.575 20 30 DCEDLP C[C@H](C[NH+]=C([O-])N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCOCC1 ZINC000329703100 416185709 /nfs/dbraw/zinc/18/57/09/416185709.db2.gz IDHUIUIYRLZWJK-NEPJUHHUSA-N 2 2 307.398 0.491 20 30 DCEDLP C[C@H](C[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCOCC1 ZINC000329703100 416185710 /nfs/dbraw/zinc/18/57/10/416185710.db2.gz IDHUIUIYRLZWJK-NEPJUHHUSA-N 2 2 307.398 0.491 20 30 DCEDLP CNC(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329854450 416191509 /nfs/dbraw/zinc/19/15/09/416191509.db2.gz WJWUPUAXBJNYLT-CYBMUJFWSA-N 2 2 323.441 0.777 20 30 DCEDLP CNC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000329854450 416191516 /nfs/dbraw/zinc/19/15/16/416191516.db2.gz WJWUPUAXBJNYLT-CYBMUJFWSA-N 2 2 323.441 0.777 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000329269242 416159821 /nfs/dbraw/zinc/15/98/21/416159821.db2.gz GVIMQRAPXMWMJD-KBPBESRZSA-N 2 2 321.425 0.673 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533691 416332047 /nfs/dbraw/zinc/33/20/47/416332047.db2.gz CKWUSNHKAQUQQW-GJZGRUSLSA-N 2 2 308.426 0.401 20 30 DCEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533691 416332048 /nfs/dbraw/zinc/33/20/48/416332048.db2.gz CKWUSNHKAQUQQW-GJZGRUSLSA-N 2 2 308.426 0.401 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000491641822 416610793 /nfs/dbraw/zinc/61/07/93/416610793.db2.gz UBLQKMAZJHADII-CQSZACIVSA-N 2 2 301.390 0.820 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000491667887 416611019 /nfs/dbraw/zinc/61/10/19/416611019.db2.gz YEKPYFWBJHHXBP-HNNXBMFYSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000491667887 416611021 /nfs/dbraw/zinc/61/10/21/416611021.db2.gz YEKPYFWBJHHXBP-HNNXBMFYSA-N 2 2 307.438 0.511 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000490779072 416575684 /nfs/dbraw/zinc/57/56/84/416575684.db2.gz QWPSVUYYHQUNMP-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000490779072 416575689 /nfs/dbraw/zinc/57/56/89/416575689.db2.gz QWPSVUYYHQUNMP-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000490779072 416575694 /nfs/dbraw/zinc/57/56/94/416575694.db2.gz QWPSVUYYHQUNMP-KRWDZBQOSA-N 2 2 320.481 0.428 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000490866078 416578058 /nfs/dbraw/zinc/57/80/58/416578058.db2.gz LUVMIGKCTLNIQQ-CVEARBPZSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000490866078 416578060 /nfs/dbraw/zinc/57/80/60/416578060.db2.gz LUVMIGKCTLNIQQ-CVEARBPZSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491729779 416619644 /nfs/dbraw/zinc/61/96/44/416619644.db2.gz NVUKNSCLSVYAKR-DOTOQJQBSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000491729779 416619647 /nfs/dbraw/zinc/61/96/47/416619647.db2.gz NVUKNSCLSVYAKR-DOTOQJQBSA-N 2 2 319.449 0.653 20 30 DCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000615596179 416867627 /nfs/dbraw/zinc/86/76/27/416867627.db2.gz OWLTVSLHIYNQFN-HNNXBMFYSA-N 2 2 311.405 0.660 20 30 DCEDLP C=CCC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000655551905 418274351 /nfs/dbraw/zinc/27/43/51/418274351.db2.gz KBDJTDCAWYLNPN-CABCVRRESA-N 2 2 324.469 0.781 20 30 DCEDLP C=CCC[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000655551905 418274353 /nfs/dbraw/zinc/27/43/53/418274353.db2.gz KBDJTDCAWYLNPN-CABCVRRESA-N 2 2 324.469 0.781 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1C#N ZINC000356088395 261389720 /nfs/dbraw/zinc/38/97/20/261389720.db2.gz FAMPAZOGZLTZCZ-UHFFFAOYSA-N 2 2 318.425 0.390 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1C#N ZINC000356088395 261389722 /nfs/dbraw/zinc/38/97/22/261389722.db2.gz FAMPAZOGZLTZCZ-UHFFFAOYSA-N 2 2 318.425 0.390 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000491041024 339846738 /nfs/dbraw/zinc/84/67/38/339846738.db2.gz XBAFDXCQYPPJMX-AWEZNQCLSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H](SC)C2)CC1 ZINC000134572181 341218671 /nfs/dbraw/zinc/21/86/71/341218671.db2.gz ADIPJQHBABKYPQ-HNNXBMFYSA-N 2 2 309.479 0.981 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H](SC)C2)CC1 ZINC000134572181 341218672 /nfs/dbraw/zinc/21/86/72/341218672.db2.gz ADIPJQHBABKYPQ-HNNXBMFYSA-N 2 2 309.479 0.981 20 30 DCEDLP C[C@H]1C[NH+]=C(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)N1 ZINC000262201911 533990171 /nfs/dbraw/zinc/99/01/71/533990171.db2.gz AXMJCBHYGZCJHY-ZDUSSCGKSA-N 2 2 316.409 0.058 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262431378 526367387 /nfs/dbraw/zinc/36/73/87/526367387.db2.gz FCQFWOLLMLLWIU-CYBMUJFWSA-N 2 2 301.398 0.682 20 30 DCEDLP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1C[N@H+](C)CCO1 ZINC000262633591 526414083 /nfs/dbraw/zinc/41/40/83/526414083.db2.gz NZDBYGWVMCRTSF-ZDUSSCGKSA-N 2 2 320.393 0.411 20 30 DCEDLP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1C[N@@H+](C)CCO1 ZINC000262633591 526414088 /nfs/dbraw/zinc/41/40/88/526414088.db2.gz NZDBYGWVMCRTSF-ZDUSSCGKSA-N 2 2 320.393 0.411 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291207 526525605 /nfs/dbraw/zinc/52/56/05/526525605.db2.gz WAPXCTLSGAUXNP-SFHVURJKSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188291207 526525610 /nfs/dbraw/zinc/52/56/10/526525610.db2.gz WAPXCTLSGAUXNP-SFHVURJKSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188291207 526525614 /nfs/dbraw/zinc/52/56/14/526525614.db2.gz WAPXCTLSGAUXNP-SFHVURJKSA-N 2 2 317.433 0.857 20 30 DCEDLP C=CCNC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188291207 526525616 /nfs/dbraw/zinc/52/56/16/526525616.db2.gz WAPXCTLSGAUXNP-SFHVURJKSA-N 2 2 317.433 0.857 20 30 DCEDLP CC(C)CNC(=[NH2+])NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000262025780 527955482 /nfs/dbraw/zinc/95/54/82/527955482.db2.gz ZGPYDZWMDLDPHU-AWEZNQCLSA-N 2 2 300.472 0.755 20 30 DCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000329298553 546047059 /nfs/dbraw/zinc/04/70/59/546047059.db2.gz LLNZOELAOOVIFK-ZDUSSCGKSA-N 2 2 310.442 0.838 20 30 DCEDLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000329298553 546047063 /nfs/dbraw/zinc/04/70/63/546047063.db2.gz LLNZOELAOOVIFK-ZDUSSCGKSA-N 2 2 310.442 0.838 20 30 DCEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329298553 546047065 /nfs/dbraw/zinc/04/70/65/546047065.db2.gz LLNZOELAOOVIFK-ZDUSSCGKSA-N 2 2 310.442 0.838 20 30 DCEDLP CC1(C)COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329298553 546047066 /nfs/dbraw/zinc/04/70/66/546047066.db2.gz LLNZOELAOOVIFK-ZDUSSCGKSA-N 2 2 310.442 0.838 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001675076648 1175325586 /nfs/dbraw/zinc/32/55/86/1175325586.db2.gz RCCXWMNLOGUXHJ-LSDHHAIUSA-N 2 2 309.454 0.846 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001675076648 1175325594 /nfs/dbraw/zinc/32/55/94/1175325594.db2.gz RCCXWMNLOGUXHJ-LSDHHAIUSA-N 2 2 309.454 0.846 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028136028 661230635 /nfs/dbraw/zinc/23/06/35/661230635.db2.gz ABEMSBMBWUFDBK-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028136028 661230636 /nfs/dbraw/zinc/23/06/36/661230636.db2.gz ABEMSBMBWUFDBK-HUUCEWRRSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981960177 661257512 /nfs/dbraw/zinc/25/75/12/661257512.db2.gz SREXSXFEORYADJ-HNNXBMFYSA-N 2 2 300.406 0.921 20 30 DCEDLP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981960177 661257514 /nfs/dbraw/zinc/25/75/14/661257514.db2.gz SREXSXFEORYADJ-HNNXBMFYSA-N 2 2 300.406 0.921 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998293387 665431438 /nfs/dbraw/zinc/43/14/38/665431438.db2.gz FQSNNZABFHEWCI-NEPJUHHUSA-N 2 2 314.311 0.954 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552626 657763846 /nfs/dbraw/zinc/76/38/46/657763846.db2.gz QJXSGINPXVXPOY-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552626 657763851 /nfs/dbraw/zinc/76/38/51/657763851.db2.gz QJXSGINPXVXPOY-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552626 657763866 /nfs/dbraw/zinc/76/38/66/657763866.db2.gz QJXSGINPXVXPOY-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504775 657827845 /nfs/dbraw/zinc/82/78/45/657827845.db2.gz WFIYOOILABAUPN-IIAWOOMASA-N 2 2 305.422 0.500 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504775 657827854 /nfs/dbraw/zinc/82/78/54/657827854.db2.gz WFIYOOILABAUPN-IIAWOOMASA-N 2 2 305.422 0.500 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000998810152 665534636 /nfs/dbraw/zinc/53/46/36/665534636.db2.gz CWBRSWNFWFYFFS-CHWSQXEVSA-N 2 2 301.818 0.650 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000998810152 665534638 /nfs/dbraw/zinc/53/46/38/665534638.db2.gz CWBRSWNFWFYFFS-CHWSQXEVSA-N 2 2 301.818 0.650 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@H+](C(C)C)CCO2 ZINC000972417378 658739989 /nfs/dbraw/zinc/73/99/89/658739989.db2.gz UKIULYMWEYGMGG-WMZOPIPTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[N@@H+](C(C)C)CCO2 ZINC000972417378 658739994 /nfs/dbraw/zinc/73/99/94/658739994.db2.gz UKIULYMWEYGMGG-WMZOPIPTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](C(C)C)CCO2 ZINC000972417378 658739998 /nfs/dbraw/zinc/73/99/98/658739998.db2.gz UKIULYMWEYGMGG-WMZOPIPTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)C[NH+](C(C)C)CCO2 ZINC000972417378 658740001 /nfs/dbraw/zinc/74/00/01/658740001.db2.gz UKIULYMWEYGMGG-WMZOPIPTSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]12 ZINC001026319077 659165941 /nfs/dbraw/zinc/16/59/41/659165941.db2.gz NWHWPVYJSOHEMW-RBSFLKMASA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974750050 659657172 /nfs/dbraw/zinc/65/71/72/659657172.db2.gz HXDGDBGIUCNYDB-DZGCQCFKSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000974750050 659657177 /nfs/dbraw/zinc/65/71/77/659657177.db2.gz HXDGDBGIUCNYDB-DZGCQCFKSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977617748 659793081 /nfs/dbraw/zinc/79/30/81/659793081.db2.gz QFYWJRSMWAZUSK-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977617748 659793084 /nfs/dbraw/zinc/79/30/84/659793084.db2.gz QFYWJRSMWAZUSK-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977617748 659793085 /nfs/dbraw/zinc/79/30/85/659793085.db2.gz QFYWJRSMWAZUSK-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977617748 659793087 /nfs/dbraw/zinc/79/30/87/659793087.db2.gz QFYWJRSMWAZUSK-HUUCEWRRSA-N 2 2 307.438 0.557 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001028465058 661540422 /nfs/dbraw/zinc/54/04/22/661540422.db2.gz IFNCSAWJBWXZSI-STQMWFEESA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001028465058 661540423 /nfs/dbraw/zinc/54/04/23/661540423.db2.gz IFNCSAWJBWXZSI-STQMWFEESA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028465058 661540424 /nfs/dbraw/zinc/54/04/24/661540424.db2.gz IFNCSAWJBWXZSI-STQMWFEESA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001028465058 661540425 /nfs/dbraw/zinc/54/04/25/661540425.db2.gz IFNCSAWJBWXZSI-STQMWFEESA-N 2 2 301.818 0.508 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)CC1 ZINC001029596463 662423172 /nfs/dbraw/zinc/42/31/72/662423172.db2.gz MFUYDIXNDYBDMH-IYBDPMFKSA-N 2 2 307.413 0.976 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)CC1 ZINC001029596463 662423173 /nfs/dbraw/zinc/42/31/73/662423173.db2.gz MFUYDIXNDYBDMH-IYBDPMFKSA-N 2 2 307.413 0.976 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001001013402 665975151 /nfs/dbraw/zinc/97/51/51/665975151.db2.gz DNYVOFPFIIPYFV-CVEARBPZSA-N 2 2 300.406 0.898 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032587681 665381157 /nfs/dbraw/zinc/38/11/57/665381157.db2.gz PNHIEKVQGUGONB-HRCADAONSA-N 2 2 305.422 0.404 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032587681 665381159 /nfs/dbraw/zinc/38/11/59/665381159.db2.gz PNHIEKVQGUGONB-HRCADAONSA-N 2 2 305.422 0.404 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001032587681 665381161 /nfs/dbraw/zinc/38/11/61/665381161.db2.gz PNHIEKVQGUGONB-HRCADAONSA-N 2 2 305.422 0.404 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001032587681 665381162 /nfs/dbraw/zinc/38/11/62/665381162.db2.gz PNHIEKVQGUGONB-HRCADAONSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC001003721873 666351236 /nfs/dbraw/zinc/35/12/36/666351236.db2.gz CHJKAIIYCSFIHQ-UHFFFAOYSA-N 2 2 319.449 0.845 20 30 DCEDLP N#Cc1cncc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000930169333 667018432 /nfs/dbraw/zinc/01/84/32/667018432.db2.gz XDYIIKQDFAIJJD-UHFFFAOYSA-N 2 2 316.405 0.612 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001035421435 667328493 /nfs/dbraw/zinc/32/84/93/667328493.db2.gz AOFCOFPSYLYWCR-ZBFHGGJFSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001035421435 667328496 /nfs/dbraw/zinc/32/84/96/667328496.db2.gz AOFCOFPSYLYWCR-ZBFHGGJFSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000884205998 667498815 /nfs/dbraw/zinc/49/88/15/667498815.db2.gz KIWGMTGJOHYDFE-CYBMUJFWSA-N 2 2 318.425 0.383 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000884205998 667498819 /nfs/dbraw/zinc/49/88/19/667498819.db2.gz KIWGMTGJOHYDFE-CYBMUJFWSA-N 2 2 318.425 0.383 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000884314697 667522039 /nfs/dbraw/zinc/52/20/39/667522039.db2.gz RUJYDTFBZREOLA-ILXRZTDVSA-N 2 2 323.437 0.907 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000884314697 667522043 /nfs/dbraw/zinc/52/20/43/667522043.db2.gz RUJYDTFBZREOLA-ILXRZTDVSA-N 2 2 323.437 0.907 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870083627 667708086 /nfs/dbraw/zinc/70/80/86/667708086.db2.gz XVSASKHWABCQLF-IRXDYDNUSA-N 2 2 313.401 0.963 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870083627 667708093 /nfs/dbraw/zinc/70/80/93/667708093.db2.gz XVSASKHWABCQLF-IRXDYDNUSA-N 2 2 313.401 0.963 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000888038277 667939594 /nfs/dbraw/zinc/93/95/94/667939594.db2.gz RKUOYRRCJRRATK-GJZGRUSLSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000888038277 667939596 /nfs/dbraw/zinc/93/95/96/667939596.db2.gz RKUOYRRCJRRATK-GJZGRUSLSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000888038277 667939600 /nfs/dbraw/zinc/93/96/00/667939600.db2.gz RKUOYRRCJRRATK-GJZGRUSLSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000888038277 667939603 /nfs/dbraw/zinc/93/96/03/667939603.db2.gz RKUOYRRCJRRATK-GJZGRUSLSA-N 2 2 308.426 0.104 20 30 DCEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000950924697 670153215 /nfs/dbraw/zinc/15/32/15/670153215.db2.gz YFTSNAAXKACLLP-HQVVEAJESA-N 2 2 319.449 0.958 20 30 DCEDLP C=C(C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000950924697 670153218 /nfs/dbraw/zinc/15/32/18/670153218.db2.gz YFTSNAAXKACLLP-HQVVEAJESA-N 2 2 319.449 0.958 20 30 DCEDLP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]cn1C)CCO2 ZINC000949229788 670291652 /nfs/dbraw/zinc/29/16/52/670291652.db2.gz DXRBMKLEQFHMAM-UHFFFAOYSA-N 2 2 318.421 0.842 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949386224 670329326 /nfs/dbraw/zinc/32/93/26/670329326.db2.gz YPAAQDYEIVGAJD-MRXNPFEDSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000854731196 670619576 /nfs/dbraw/zinc/61/95/76/670619576.db2.gz YTTHEKLZDICZEA-QGZVFWFLSA-N 2 2 319.449 0.655 20 30 DCEDLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)CC2)[nH+]c1 ZINC000834491059 671764624 /nfs/dbraw/zinc/76/46/24/671764624.db2.gz ZOLXPDNBPUEJEW-LSDHHAIUSA-N 2 2 313.405 0.834 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001020250521 693745895 /nfs/dbraw/zinc/74/58/95/693745895.db2.gz HITZPUPMKMFXQL-KKUMJFAQSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001020250521 693745899 /nfs/dbraw/zinc/74/58/99/693745899.db2.gz HITZPUPMKMFXQL-KKUMJFAQSA-N 2 2 316.405 0.817 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000088201439 685092653 /nfs/dbraw/zinc/09/26/53/685092653.db2.gz RCQIFBNZPZHKJS-GFCCVEGCSA-N 3 2 319.457 0.388 20 30 DCEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000088201439 685092661 /nfs/dbraw/zinc/09/26/61/685092661.db2.gz RCQIFBNZPZHKJS-GFCCVEGCSA-N 3 2 319.457 0.388 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201146 687430911 /nfs/dbraw/zinc/43/09/11/687430911.db2.gz WXCKHNSIWDBOAC-WFASDCNBSA-N 2 2 322.409 0.335 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000958201146 687430919 /nfs/dbraw/zinc/43/09/19/687430919.db2.gz WXCKHNSIWDBOAC-WFASDCNBSA-N 2 2 322.409 0.335 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC#CC)CCCO1 ZINC001073639894 694757691 /nfs/dbraw/zinc/75/76/91/694757691.db2.gz NCCJSYGQKWKVFS-SJORKVTESA-N 2 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0.559 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001086109706 759722114 /nfs/dbraw/zinc/72/21/14/759722114.db2.gz ABCBZWUXPHIPAJ-IMJJTQAJSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001086109706 759722120 /nfs/dbraw/zinc/72/21/20/759722120.db2.gz ABCBZWUXPHIPAJ-IMJJTQAJSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001086244189 759897448 /nfs/dbraw/zinc/89/74/48/759897448.db2.gz ZJJZMRSSLAJAKB-OKILXGFUSA-N 2 2 309.373 0.999 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344404 760418621 /nfs/dbraw/zinc/41/86/21/760418621.db2.gz NNMSALBTFHZGJJ-MRXNPFEDSA-N 2 2 305.422 0.313 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344404 760418628 /nfs/dbraw/zinc/41/86/28/760418628.db2.gz NNMSALBTFHZGJJ-MRXNPFEDSA-N 2 2 305.422 0.313 20 30 DCEDLP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169229128 760607604 /nfs/dbraw/zinc/60/76/04/760607604.db2.gz USUBQQBGLXPNEF-UHFFFAOYSA-N 2 2 319.409 0.249 20 30 DCEDLP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068015 761225351 /nfs/dbraw/zinc/22/53/51/761225351.db2.gz OFELGFKKGYYGRQ-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068015 761225355 /nfs/dbraw/zinc/22/53/55/761225355.db2.gz OFELGFKKGYYGRQ-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109068015 761225361 /nfs/dbraw/zinc/22/53/61/761225361.db2.gz OFELGFKKGYYGRQ-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001109068015 761225365 /nfs/dbraw/zinc/22/53/65/761225365.db2.gz OFELGFKKGYYGRQ-UGUYLWEFSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194927 761694757 /nfs/dbraw/zinc/69/47/57/761694757.db2.gz POQLGKCVTJBOGN-RDJZCZTQSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCn1cc[nH+]c1)C[C@H](C)O2 ZINC001071194927 761694761 /nfs/dbraw/zinc/69/47/61/761694761.db2.gz POQLGKCVTJBOGN-RDJZCZTQSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234114 761728916 /nfs/dbraw/zinc/72/89/16/761728916.db2.gz UBMZFZRSFQBODR-GUYCJALGSA-N 2 2 316.405 0.586 20 30 DCEDLP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O2 ZINC001071234114 761728923 /nfs/dbraw/zinc/72/89/23/761728923.db2.gz UBMZFZRSFQBODR-GUYCJALGSA-N 2 2 316.405 0.586 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001099337343 762867224 /nfs/dbraw/zinc/86/72/24/762867224.db2.gz REEDSLUQKNLXQR-ZYHUDNBSSA-N 2 2 314.311 0.873 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034202 763239071 /nfs/dbraw/zinc/23/90/71/763239071.db2.gz PDMYBHVFJXRYMM-JKSUJKDBSA-N 2 2 318.421 0.546 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034202 763239075 /nfs/dbraw/zinc/23/90/75/763239075.db2.gz PDMYBHVFJXRYMM-JKSUJKDBSA-N 2 2 318.421 0.546 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001100087718 763295263 /nfs/dbraw/zinc/29/52/63/763295263.db2.gz QMLIXAMVKXDGCM-DZGCQCFKSA-N 2 2 322.409 0.015 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001100087718 763295266 /nfs/dbraw/zinc/29/52/66/763295266.db2.gz QMLIXAMVKXDGCM-DZGCQCFKSA-N 2 2 322.409 0.015 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485859 764477590 /nfs/dbraw/zinc/47/75/90/764477590.db2.gz KUNMGEJQRQTFEM-GDBMZVCRSA-N 2 2 318.421 0.810 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485859 764477599 /nfs/dbraw/zinc/47/75/99/764477599.db2.gz KUNMGEJQRQTFEM-GDBMZVCRSA-N 2 2 318.421 0.810 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133667747 765077129 /nfs/dbraw/zinc/07/71/29/765077129.db2.gz LGRWMLMBMGPJAN-NEPJUHHUSA-N 2 2 319.409 0.226 20 30 DCEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134399572 765505569 /nfs/dbraw/zinc/50/55/69/765505569.db2.gz DMTGEOXYJVSBEG-ZDUSSCGKSA-N 2 2 321.425 0.471 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134521695 765550479 /nfs/dbraw/zinc/55/04/79/765550479.db2.gz NIPLOXGLWHPUBP-STQMWFEESA-N 2 2 307.398 0.231 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1=O ZINC001135079973 765790923 /nfs/dbraw/zinc/79/09/23/765790923.db2.gz IJFNXYTUWUGGEJ-GXTWGEPZSA-N 2 2 319.409 0.081 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1=O ZINC001135079973 765790925 /nfs/dbraw/zinc/79/09/25/765790925.db2.gz IJFNXYTUWUGGEJ-GXTWGEPZSA-N 2 2 319.409 0.081 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730290 766526627 /nfs/dbraw/zinc/52/66/27/766526627.db2.gz JKQRMIBJBTXGKW-OLZOCXBDSA-N 2 2 313.829 0.386 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730290 766526635 /nfs/dbraw/zinc/52/66/35/766526635.db2.gz JKQRMIBJBTXGKW-OLZOCXBDSA-N 2 2 313.829 0.386 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)nn2)C1 ZINC001094316096 768968720 /nfs/dbraw/zinc/96/87/20/768968720.db2.gz FOYUUAGVCDTRIG-IUODEOHRSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)nn2)C1 ZINC001094316096 768968722 /nfs/dbraw/zinc/96/87/22/768968722.db2.gz FOYUUAGVCDTRIG-IUODEOHRSA-N 2 2 318.425 0.135 20 30 DCEDLP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150654716 769150951 /nfs/dbraw/zinc/15/09/51/769150951.db2.gz ZLUSRXOWSMPQBI-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150654716 769150956 /nfs/dbraw/zinc/15/09/56/769150956.db2.gz ZLUSRXOWSMPQBI-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(C#N)n2)CCC1=O ZINC001232925821 769341243 /nfs/dbraw/zinc/34/12/43/769341243.db2.gz ROYXYCMTORDMJI-UHFFFAOYSA-N 2 2 301.394 0.549 20 30 DCEDLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(C#N)n2)CCC1=O ZINC001232925821 769341252 /nfs/dbraw/zinc/34/12/52/769341252.db2.gz ROYXYCMTORDMJI-UHFFFAOYSA-N 2 2 301.394 0.549 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401942 769646810 /nfs/dbraw/zinc/64/68/10/769646810.db2.gz IONFBOMCYROIHW-OWCLPIDISA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401942 769646813 /nfs/dbraw/zinc/64/68/13/769646813.db2.gz IONFBOMCYROIHW-OWCLPIDISA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001234401942 769646815 /nfs/dbraw/zinc/64/68/15/769646815.db2.gz IONFBOMCYROIHW-OWCLPIDISA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401942 769646818 /nfs/dbraw/zinc/64/68/18/769646818.db2.gz IONFBOMCYROIHW-OWCLPIDISA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235333473 769815723 /nfs/dbraw/zinc/81/57/23/769815723.db2.gz CZUVVFBEWPHZSD-HZPDHXFCSA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235333473 769815733 /nfs/dbraw/zinc/81/57/33/769815733.db2.gz CZUVVFBEWPHZSD-HZPDHXFCSA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235333474 769816146 /nfs/dbraw/zinc/81/61/46/769816146.db2.gz CZUVVFBEWPHZSD-JKSUJKDBSA-N 2 2 307.438 0.509 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235333474 769816165 /nfs/dbraw/zinc/81/61/65/769816165.db2.gz CZUVVFBEWPHZSD-JKSUJKDBSA-N 2 2 307.438 0.509 20 30 DCEDLP COc1ccnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c1C#N ZINC001155373087 770481881 /nfs/dbraw/zinc/48/18/81/770481881.db2.gz MZNBFHOSHDZPTB-CYBMUJFWSA-N 2 2 301.394 0.821 20 30 DCEDLP COCC#CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470064 771124382 /nfs/dbraw/zinc/12/43/82/771124382.db2.gz GYONACOULHGPOQ-UHFFFAOYSA-N 2 2 306.410 0.799 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157749202 771663069 /nfs/dbraw/zinc/66/30/69/771663069.db2.gz ZCCMQRLXZZLZHL-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001157749202 771663075 /nfs/dbraw/zinc/66/30/75/771663075.db2.gz ZCCMQRLXZZLZHL-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001157749202 771663079 /nfs/dbraw/zinc/66/30/79/771663079.db2.gz ZCCMQRLXZZLZHL-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001157749202 771663081 /nfs/dbraw/zinc/66/30/81/771663081.db2.gz ZCCMQRLXZZLZHL-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP COc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1C#N ZINC001158259377 771748256 /nfs/dbraw/zinc/74/82/56/771748256.db2.gz RGVKGCBXQPRPMM-LBPRGKRZSA-N 2 2 302.382 0.359 20 30 DCEDLP COc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1C#N ZINC001158259377 771748264 /nfs/dbraw/zinc/74/82/64/771748264.db2.gz RGVKGCBXQPRPMM-LBPRGKRZSA-N 2 2 302.382 0.359 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001159537012 771924764 /nfs/dbraw/zinc/92/47/64/771924764.db2.gz FPDQTBQGNDSWSR-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)C1=O ZINC001159537012 771924766 /nfs/dbraw/zinc/92/47/66/771924766.db2.gz FPDQTBQGNDSWSR-CQSZACIVSA-N 2 2 319.409 0.225 20 30 DCEDLP C=CCN1C(=O)CC[C@]12CCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001159653157 771939473 /nfs/dbraw/zinc/93/94/73/771939473.db2.gz PJARZKJGAQFKAZ-ZQIUZPCESA-N 2 2 320.437 0.093 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nc(C)no1 ZINC001160209299 772009108 /nfs/dbraw/zinc/00/91/08/772009108.db2.gz GUCZIANIFHFFIH-OCCSQVGLSA-N 2 2 319.409 0.633 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1nc(C)no1 ZINC001160209299 772009111 /nfs/dbraw/zinc/00/91/11/772009111.db2.gz GUCZIANIFHFFIH-OCCSQVGLSA-N 2 2 319.409 0.633 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160990229 772146435 /nfs/dbraw/zinc/14/64/35/772146435.db2.gz FFRSFMXZCTUGFS-UHFFFAOYSA-N 2 2 300.362 0.922 20 30 DCEDLP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001187431656 772190092 /nfs/dbraw/zinc/19/00/92/772190092.db2.gz BJFQIYXOQBSJAM-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001187431656 772190093 /nfs/dbraw/zinc/19/00/93/772190093.db2.gz BJFQIYXOQBSJAM-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187431656 772190096 /nfs/dbraw/zinc/19/00/96/772190096.db2.gz BJFQIYXOQBSJAM-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001187431656 772190098 /nfs/dbraw/zinc/19/00/98/772190098.db2.gz BJFQIYXOQBSJAM-XHSDSOJGSA-N 2 2 307.438 0.816 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161300113 772199259 /nfs/dbraw/zinc/19/92/59/772199259.db2.gz FANARSXRJCRCGU-CQSZACIVSA-N 2 2 304.394 0.191 20 30 DCEDLP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001188187722 772275744 /nfs/dbraw/zinc/27/57/44/772275744.db2.gz LTBOOXUCFDYSGN-HZPDHXFCSA-N 2 2 300.406 0.898 20 30 DCEDLP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462123 773066910 /nfs/dbraw/zinc/06/69/10/773066910.db2.gz LDOHLBNGQHWIJQ-AWEZNQCLSA-N 2 2 306.410 0.698 20 30 DCEDLP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462123 773066913 /nfs/dbraw/zinc/06/69/13/773066913.db2.gz LDOHLBNGQHWIJQ-AWEZNQCLSA-N 2 2 306.410 0.698 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207454471 773211906 /nfs/dbraw/zinc/21/19/06/773211906.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207454471 773211909 /nfs/dbraw/zinc/21/19/09/773211909.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207454471 773211912 /nfs/dbraw/zinc/21/19/12/773211912.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207454471 773211915 /nfs/dbraw/zinc/21/19/15/773211915.db2.gz YALNJBRIFBCVKM-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211187402 773780156 /nfs/dbraw/zinc/78/01/56/773780156.db2.gz JJWIPHQAOGWDQM-IRXDYDNUSA-N 2 2 319.449 0.701 20 30 DCEDLP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197776382 773798271 /nfs/dbraw/zinc/79/82/71/773798271.db2.gz UWMGLQZGVOHCFP-HZPDHXFCSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197776382 773798274 /nfs/dbraw/zinc/79/82/74/773798274.db2.gz UWMGLQZGVOHCFP-HZPDHXFCSA-N 2 2 320.437 0.870 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885962 773817169 /nfs/dbraw/zinc/81/71/69/773817169.db2.gz LZGTVEGEHNIAGD-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197885962 773817176 /nfs/dbraw/zinc/81/71/76/773817176.db2.gz LZGTVEGEHNIAGD-UHFFFAOYSA-N 2 2 324.469 0.555 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934051 773903894 /nfs/dbraw/zinc/90/38/94/773903894.db2.gz JHPWNGXYYWXKPQ-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934051 773903901 /nfs/dbraw/zinc/90/39/01/773903901.db2.gz JHPWNGXYYWXKPQ-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C[C@H]1C ZINC001215447177 774073597 /nfs/dbraw/zinc/07/35/97/774073597.db2.gz XDDHLOYEPMPLPJ-BYCMXARLSA-N 2 2 319.409 0.079 20 30 DCEDLP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C[C@H]1C ZINC001215447177 774073605 /nfs/dbraw/zinc/07/36/05/774073605.db2.gz XDDHLOYEPMPLPJ-BYCMXARLSA-N 2 2 319.409 0.079 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200653256 774391272 /nfs/dbraw/zinc/39/12/72/774391272.db2.gz HKCCDURNLBMLMM-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200653256 774391281 /nfs/dbraw/zinc/39/12/81/774391281.db2.gz HKCCDURNLBMLMM-OAHLLOKOSA-N 2 2 304.394 0.573 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201857770 774558645 /nfs/dbraw/zinc/55/86/45/774558645.db2.gz YJTJCVQGSMFZJP-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053492 774682775 /nfs/dbraw/zinc/68/27/75/774682775.db2.gz PIODGHNTYDLHPO-ZNMIVQPWSA-N 2 2 320.437 0.869 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220053492 774682779 /nfs/dbraw/zinc/68/27/79/774682779.db2.gz PIODGHNTYDLHPO-ZNMIVQPWSA-N 2 2 320.437 0.869 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220272155 774752182 /nfs/dbraw/zinc/75/21/82/774752182.db2.gz RHPYMQBSZBQIBY-KGLIPLIRSA-N 2 2 322.434 0.233 20 30 DCEDLP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1O ZINC001220272155 774752189 /nfs/dbraw/zinc/75/21/89/774752189.db2.gz RHPYMQBSZBQIBY-KGLIPLIRSA-N 2 2 322.434 0.233 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441992 774809055 /nfs/dbraw/zinc/80/90/55/774809055.db2.gz UVUUDNJZMIJEAC-ZNMIVQPWSA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441992 774809062 /nfs/dbraw/zinc/80/90/62/774809062.db2.gz UVUUDNJZMIJEAC-ZNMIVQPWSA-N 2 2 306.410 0.962 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202673083 774985806 /nfs/dbraw/zinc/98/58/06/774985806.db2.gz FKPIRUFPAFYNHN-LBPRGKRZSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CC[C@@](C)(NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(=O)OC ZINC001221382649 775081535 /nfs/dbraw/zinc/08/15/35/775081535.db2.gz WKAFHRFGMJENHJ-XJKSGUPXSA-N 2 2 305.378 0.883 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001095556197 775228599 /nfs/dbraw/zinc/22/85/99/775228599.db2.gz DEXPIZXBCDNXFC-UGUYLWEFSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001095556197 775228608 /nfs/dbraw/zinc/22/86/08/775228608.db2.gz DEXPIZXBCDNXFC-UGUYLWEFSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO ZINC001095556197 775228617 /nfs/dbraw/zinc/22/86/17/775228617.db2.gz DEXPIZXBCDNXFC-UGUYLWEFSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO ZINC001095556197 775228623 /nfs/dbraw/zinc/22/86/23/775228623.db2.gz DEXPIZXBCDNXFC-UGUYLWEFSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC001230377979 776288926 /nfs/dbraw/zinc/28/89/26/776288926.db2.gz GJCPAFUKADHHKK-MRXNPFEDSA-N 2 2 300.406 0.898 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114899589 776376899 /nfs/dbraw/zinc/37/68/99/776376899.db2.gz VAMMYMFDINVJFE-LJIGWXMPSA-N 2 2 316.405 0.530 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114899589 776376912 /nfs/dbraw/zinc/37/69/12/776376912.db2.gz VAMMYMFDINVJFE-LJIGWXMPSA-N 2 2 316.405 0.530 20 30 DCEDLP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041787501 777496956 /nfs/dbraw/zinc/49/69/56/777496956.db2.gz PIWTZAFFODJIOV-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041787501 777496961 /nfs/dbraw/zinc/49/69/61/777496961.db2.gz PIWTZAFFODJIOV-KRWDZBQOSA-N 2 2 300.406 0.910 20 30 DCEDLP C=CCN1CC[NH+](CCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001266266929 939035802 /nfs/dbraw/zinc/03/58/02/939035802.db2.gz IIGKDVGRBDFTEI-UHFFFAOYSA-N 2 2 305.426 0.501 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267057597 939326045 /nfs/dbraw/zinc/32/60/45/939326045.db2.gz BFBRQCLABHPMAO-OLZOCXBDSA-N 2 2 319.409 0.081 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001267090599 939337446 /nfs/dbraw/zinc/33/74/46/939337446.db2.gz JTJYFGJODBLRQC-CABCVRRESA-N 2 2 318.421 0.629 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001267988843 939722466 /nfs/dbraw/zinc/72/24/66/939722466.db2.gz APQCOKCRCIBTSQ-GJZGRUSLSA-N 2 2 315.421 0.416 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001267988843 939722467 /nfs/dbraw/zinc/72/24/67/939722467.db2.gz APQCOKCRCIBTSQ-GJZGRUSLSA-N 2 2 315.421 0.416 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nonc1C ZINC001267989369 939723600 /nfs/dbraw/zinc/72/36/00/939723600.db2.gz KTKQKDYCJPVZJE-WFASDCNBSA-N 2 2 319.409 0.318 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nonc1C ZINC001267989369 939723603 /nfs/dbraw/zinc/72/36/03/939723603.db2.gz KTKQKDYCJPVZJE-WFASDCNBSA-N 2 2 319.409 0.318 20 30 DCEDLP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001271974083 941497282 /nfs/dbraw/zinc/49/72/82/941497282.db2.gz QCRHHPHRCWZLKS-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001271974083 941497283 /nfs/dbraw/zinc/49/72/83/941497283.db2.gz QCRHHPHRCWZLKS-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(OC)no1 ZINC001483237018 942101601 /nfs/dbraw/zinc/10/16/01/942101601.db2.gz XRHLYHPQRCBMOC-JSGCOSHPSA-N 2 2 320.393 0.375 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(OC)no1 ZINC001483237018 942101604 /nfs/dbraw/zinc/10/16/04/942101604.db2.gz XRHLYHPQRCBMOC-JSGCOSHPSA-N 2 2 320.393 0.375 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cnn(C)c1 ZINC001483350482 942290800 /nfs/dbraw/zinc/29/08/00/942290800.db2.gz NGUZFSWHBUKGNJ-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cnn(C)c1 ZINC001483350482 942290801 /nfs/dbraw/zinc/29/08/01/942290801.db2.gz NGUZFSWHBUKGNJ-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cnn(C)c1 ZINC001483350482 942290807 /nfs/dbraw/zinc/29/08/07/942290807.db2.gz NGUZFSWHBUKGNJ-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cnn(C)c1 ZINC001483350482 942290811 /nfs/dbraw/zinc/29/08/11/942290811.db2.gz NGUZFSWHBUKGNJ-HOCLYGCPSA-N 2 2 317.437 0.454 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001483448237 942363266 /nfs/dbraw/zinc/36/32/66/942363266.db2.gz ULDWCWGZZVWEKU-CVEARBPZSA-N 2 2 318.421 0.798 20 30 DCEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484447227 943402989 /nfs/dbraw/zinc/40/29/89/943402989.db2.gz NIXDWAAVHWVKHV-KRWDZBQOSA-N 2 2 318.421 0.548 20 30 DCEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484447227 943402992 /nfs/dbraw/zinc/40/29/92/943402992.db2.gz NIXDWAAVHWVKHV-KRWDZBQOSA-N 2 2 318.421 0.548 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001484575164 943459008 /nfs/dbraw/zinc/45/90/08/943459008.db2.gz OSPLDMXYOSWJCB-WKILWMFISA-N 2 2 318.421 0.798 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001484681447 943503208 /nfs/dbraw/zinc/50/32/08/943503208.db2.gz XEJPXQHPPKDJSD-ZBFHGGJFSA-N 2 2 318.421 0.839 20 30 DCEDLP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001491236196 943855757 /nfs/dbraw/zinc/85/57/57/943855757.db2.gz IJUQHFOBXAOCBO-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001491236196 943855764 /nfs/dbraw/zinc/85/57/64/943855764.db2.gz IJUQHFOBXAOCBO-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001491525624 944074970 /nfs/dbraw/zinc/07/49/70/944074970.db2.gz QLFGYLYYQSVZBS-LBPRGKRZSA-N 2 2 315.377 0.344 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001277774695 944972858 /nfs/dbraw/zinc/97/28/58/944972858.db2.gz PKMBSSAMOCPEOI-CHWSQXEVSA-N 2 2 319.409 0.224 20 30 DCEDLP C[C@H]1C[NH+]=C(NN=Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)N1 ZINC001319926915 945697291 /nfs/dbraw/zinc/69/72/91/945697291.db2.gz FBAIIQZBVGWQNN-LBPRGKRZSA-N 2 2 318.400 0.849 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001253580302 946134420 /nfs/dbraw/zinc/13/44/20/946134420.db2.gz BGPTVUFYVVFYIJ-HNNXBMFYSA-N 2 2 318.421 0.592 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001253580302 946134427 /nfs/dbraw/zinc/13/44/27/946134427.db2.gz BGPTVUFYVVFYIJ-HNNXBMFYSA-N 2 2 318.421 0.592 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1nocc1C ZINC001321096778 946164663 /nfs/dbraw/zinc/16/46/63/946164663.db2.gz KPVIAAYOEPAVNG-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1nocc1C ZINC001321096778 946164668 /nfs/dbraw/zinc/16/46/68/946164668.db2.gz KPVIAAYOEPAVNG-AWFCHZOYSA-N 2 2 316.405 0.843 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278787943 946396553 /nfs/dbraw/zinc/39/65/53/946396553.db2.gz YADKQDXHHHJPHO-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001278787943 946396559 /nfs/dbraw/zinc/39/65/59/946396559.db2.gz YADKQDXHHHJPHO-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001256584972 946647499 /nfs/dbraw/zinc/64/74/99/946647499.db2.gz MCGFENNIAZBWJB-HNNXBMFYSA-N 2 2 308.426 0.058 20 30 DCEDLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CC#CCOC ZINC001323156997 946953790 /nfs/dbraw/zinc/95/37/90/946953790.db2.gz ADHSLUXVPMZKKW-HUUCEWRRSA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC001262041069 947536142 /nfs/dbraw/zinc/53/61/42/947536142.db2.gz LAVPLJPTXXWGGF-IYBDPMFKSA-N 2 2 302.422 0.481 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001262041069 947536153 /nfs/dbraw/zinc/53/61/53/947536153.db2.gz LAVPLJPTXXWGGF-IYBDPMFKSA-N 2 2 302.422 0.481 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC001262041069 947536161 /nfs/dbraw/zinc/53/61/61/947536161.db2.gz LAVPLJPTXXWGGF-IYBDPMFKSA-N 2 2 302.422 0.481 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC001262041069 947536173 /nfs/dbraw/zinc/53/61/73/947536173.db2.gz LAVPLJPTXXWGGF-IYBDPMFKSA-N 2 2 302.422 0.481 20 30 DCEDLP C=C(C)CN1C[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001273827011 948308961 /nfs/dbraw/zinc/30/89/61/948308961.db2.gz LPPPMNSYDDMIRF-KRWDZBQOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C(C)CN1C[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001273827011 948308970 /nfs/dbraw/zinc/30/89/70/948308970.db2.gz LPPPMNSYDDMIRF-KRWDZBQOSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273884804 948658177 /nfs/dbraw/zinc/65/81/77/948658177.db2.gz KVEQUTWGKFKSQK-NVXWUHKLSA-N 2 2 318.421 0.887 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273884804 948658182 /nfs/dbraw/zinc/65/81/82/948658182.db2.gz KVEQUTWGKFKSQK-NVXWUHKLSA-N 2 2 318.421 0.887 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380094 948945091 /nfs/dbraw/zinc/94/50/91/948945091.db2.gz CRJIGYHJFZTHME-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001264380094 948945107 /nfs/dbraw/zinc/94/51/07/948945107.db2.gz CRJIGYHJFZTHME-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001264654468 949047500 /nfs/dbraw/zinc/04/75/00/949047500.db2.gz NJDAEVOKRWQVHH-CABCVRRESA-N 2 2 318.421 0.935 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001264654468 949047516 /nfs/dbraw/zinc/04/75/16/949047516.db2.gz NJDAEVOKRWQVHH-CABCVRRESA-N 2 2 318.421 0.935 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708663 949080687 /nfs/dbraw/zinc/08/06/87/949080687.db2.gz RTSDTIBVAJOTEQ-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708663 949080706 /nfs/dbraw/zinc/08/07/06/949080706.db2.gz RTSDTIBVAJOTEQ-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001264708663 949080726 /nfs/dbraw/zinc/08/07/26/949080726.db2.gz RTSDTIBVAJOTEQ-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001264708663 949080745 /nfs/dbraw/zinc/08/07/45/949080745.db2.gz RTSDTIBVAJOTEQ-ILXRZTDVSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCOCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001330073631 950105173 /nfs/dbraw/zinc/10/51/73/950105173.db2.gz FLTVKGVBBSUMGO-GFCCVEGCSA-N 2 2 306.410 0.900 20 30 DCEDLP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001330425784 950384258 /nfs/dbraw/zinc/38/42/58/950384258.db2.gz NHYUQBZMSFPOSW-KGLIPLIRSA-N 2 2 318.421 0.916 20 30 DCEDLP C#CC[NH2+]CCN(CCO)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001279716460 950677927 /nfs/dbraw/zinc/67/79/27/950677927.db2.gz CZSGNKSRHQDKTB-UHFFFAOYSA-N 2 2 300.362 0.300 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001331788928 951324336 /nfs/dbraw/zinc/32/43/36/951324336.db2.gz CVUMSYIWOIAJQN-BFHYXJOUSA-N 2 2 306.410 0.557 20 30 DCEDLP N#CCCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001274040712 951353181 /nfs/dbraw/zinc/35/31/81/951353181.db2.gz SLPRVBZSJNBUKV-MRXNPFEDSA-N 2 2 317.393 0.490 20 30 DCEDLP N#CCCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001274040712 951353192 /nfs/dbraw/zinc/35/31/92/951353192.db2.gz SLPRVBZSJNBUKV-MRXNPFEDSA-N 2 2 317.393 0.490 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001281409562 951490368 /nfs/dbraw/zinc/49/03/68/951490368.db2.gz UBNYIRSHRRPCRO-ZFWWWQNUSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001281409562 951490377 /nfs/dbraw/zinc/49/03/77/951490377.db2.gz UBNYIRSHRRPCRO-ZFWWWQNUSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001274375549 951593894 /nfs/dbraw/zinc/59/38/94/951593894.db2.gz UKNONDVRMZFVTA-UHFFFAOYSA-N 2 2 319.409 0.225 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332646068 951740831 /nfs/dbraw/zinc/74/08/31/951740831.db2.gz GRFWHQYZGIKMAG-OAHLLOKOSA-N 2 2 320.437 0.701 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332646068 951740838 /nfs/dbraw/zinc/74/08/38/951740838.db2.gz GRFWHQYZGIKMAG-OAHLLOKOSA-N 2 2 320.437 0.701 20 30 DCEDLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(C#N)ccc1O)C2 ZINC001275550280 952250425 /nfs/dbraw/zinc/25/04/25/952250425.db2.gz GETXPJMHDOOPFH-UHFFFAOYSA-N 2 2 300.406 0.943 20 30 DCEDLP C#CC[NH2+]CC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC001341598469 953239390 /nfs/dbraw/zinc/23/93/90/953239390.db2.gz HHRKXMLKUHXBBT-UHFFFAOYSA-N 2 2 318.421 0.842 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001284558463 955174653 /nfs/dbraw/zinc/17/46/53/955174653.db2.gz MFZBRVKAIJCVPC-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001284558463 955174659 /nfs/dbraw/zinc/17/46/59/955174659.db2.gz MFZBRVKAIJCVPC-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001300685003 956462277 /nfs/dbraw/zinc/46/22/77/956462277.db2.gz DHORYCBBUUNVTG-INIZCTEOSA-N 2 2 316.453 0.682 20 30 DCEDLP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317403599 960108167 /nfs/dbraw/zinc/10/81/67/960108167.db2.gz AEIGDGBDLSRFOS-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317403599 960108169 /nfs/dbraw/zinc/10/81/69/960108169.db2.gz AEIGDGBDLSRFOS-GDBMZVCRSA-N 2 2 307.438 0.747 20 30 DCEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390317032 989988049 /nfs/dbraw/zinc/98/80/49/989988049.db2.gz GCZVYTXPXTXRPO-MNOVXSKESA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390317032 989988059 /nfs/dbraw/zinc/98/80/59/989988059.db2.gz GCZVYTXPXTXRPO-MNOVXSKESA-N 2 2 320.231 0.320 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001507263508 1016197155 /nfs/dbraw/zinc/19/71/55/1016197155.db2.gz YJWVMGCPDXRARI-NSHDSACASA-N 2 2 300.790 0.172 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507506017 1016430557 /nfs/dbraw/zinc/43/05/57/1016430557.db2.gz DHUPRAXAOKHFHA-OLZOCXBDSA-N 2 2 314.817 0.996 20 30 DCEDLP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402633439 1001452046 /nfs/dbraw/zinc/45/20/46/1001452046.db2.gz CYOIKEBLHLCHPU-ZDUSSCGKSA-N 2 2 303.834 0.850 20 30 DCEDLP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001402633439 1001452047 /nfs/dbraw/zinc/45/20/47/1001452047.db2.gz CYOIKEBLHLCHPU-ZDUSSCGKSA-N 2 2 303.834 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001402633439 1001452050 /nfs/dbraw/zinc/45/20/50/1001452050.db2.gz CYOIKEBLHLCHPU-ZDUSSCGKSA-N 2 2 303.834 0.850 20 30 DCEDLP C=C(Cl)C[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001402633439 1001452053 /nfs/dbraw/zinc/45/20/53/1001452053.db2.gz CYOIKEBLHLCHPU-ZDUSSCGKSA-N 2 2 303.834 0.850 20 30 DCEDLP COCC#CC[N@H+]1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001508211947 1016715939 /nfs/dbraw/zinc/71/59/39/1016715939.db2.gz DKNJAKHJNZOFAF-UHFFFAOYSA-N 2 2 316.405 0.671 20 30 DCEDLP COCC#CC[N@@H+]1CC=C(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001508211947 1016715952 /nfs/dbraw/zinc/71/59/52/1016715952.db2.gz DKNJAKHJNZOFAF-UHFFFAOYSA-N 2 2 316.405 0.671 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001426034840 1003364624 /nfs/dbraw/zinc/36/46/24/1003364624.db2.gz VBPJFOPKZGVJKP-GFCCVEGCSA-N 2 2 314.817 0.514 20 30 DCEDLP C=CC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001479938806 1018004075 /nfs/dbraw/zinc/00/40/75/1018004075.db2.gz MDSOFEIWPQKKES-UHFFFAOYSA-N 2 2 319.453 0.926 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001500956233 1018756424 /nfs/dbraw/zinc/75/64/24/1018756424.db2.gz OERGBUZYTOCTBH-UHFFFAOYSA-N 2 2 307.438 0.293 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1csnn1 ZINC001480770337 1018889134 /nfs/dbraw/zinc/88/91/34/1018889134.db2.gz BGCNIFBIAPRKCH-OCCSQVGLSA-N 2 2 321.450 0.620 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1csnn1 ZINC001480770337 1018889147 /nfs/dbraw/zinc/88/91/47/1018889147.db2.gz BGCNIFBIAPRKCH-OCCSQVGLSA-N 2 2 321.450 0.620 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498391959 1019049894 /nfs/dbraw/zinc/04/98/94/1019049894.db2.gz ABYHFNQCXPOXHX-CABCVRRESA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498391959 1019049909 /nfs/dbraw/zinc/04/99/09/1019049909.db2.gz ABYHFNQCXPOXHX-CABCVRRESA-N 2 2 306.410 0.921 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001501641044 1019346691 /nfs/dbraw/zinc/34/66/91/1019346691.db2.gz OSQNCBUGJOWYDU-OAHLLOKOSA-N 2 2 318.421 0.739 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139688 1020010307 /nfs/dbraw/zinc/01/03/07/1020010307.db2.gz CGHFCDMGWRBGGY-CABCVRRESA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001494139688 1020010322 /nfs/dbraw/zinc/01/03/22/1020010322.db2.gz CGHFCDMGWRBGGY-CABCVRRESA-N 2 2 300.406 0.859 20 30 DCEDLP COc1cccc([C@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)c1 ZINC000264056209 238187981 /nfs/dbraw/zinc/18/79/81/238187981.db2.gz AYLCSICBCKQTNZ-HNNXBMFYSA-N 2 2 306.410 0.945 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC1 ZINC000491700135 241130338 /nfs/dbraw/zinc/13/03/38/241130338.db2.gz VHECQWZJDNYVLO-IRXDYDNUSA-N 2 2 318.465 0.322 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151241634 395981780 /nfs/dbraw/zinc/98/17/80/395981780.db2.gz BGBZFUCSRSIGJA-CYBMUJFWSA-N 2 2 317.393 0.604 20 30 DCEDLP COc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1C#N ZINC000571896072 396999333 /nfs/dbraw/zinc/99/93/33/396999333.db2.gz YGPKYEFGGUAOGH-UONOGXRCSA-N 2 2 300.362 0.311 20 30 DCEDLP COc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1C#N ZINC000571896072 396999336 /nfs/dbraw/zinc/99/93/36/396999336.db2.gz YGPKYEFGGUAOGH-UONOGXRCSA-N 2 2 300.362 0.311 20 30 DCEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000598589334 397252092 /nfs/dbraw/zinc/25/20/92/397252092.db2.gz IGZHGQSSPUIQHO-OAHLLOKOSA-N 2 2 322.453 0.527 20 30 DCEDLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602530341 397431838 /nfs/dbraw/zinc/43/18/38/397431838.db2.gz YNGCLHWCNMJQJO-MRXNPFEDSA-N 2 2 315.421 0.986 20 30 DCEDLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602530341 397431846 /nfs/dbraw/zinc/43/18/46/397431846.db2.gz YNGCLHWCNMJQJO-MRXNPFEDSA-N 2 2 315.421 0.986 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000491181699 397501453 /nfs/dbraw/zinc/50/14/53/397501453.db2.gz VPQUMYDBHSSJMS-IAGOWNOFSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000491181699 397501455 /nfs/dbraw/zinc/50/14/55/397501455.db2.gz VPQUMYDBHSSJMS-IAGOWNOFSA-N 2 2 321.465 0.779 20 30 DCEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000104156430 415624086 /nfs/dbraw/zinc/62/40/86/415624086.db2.gz KTRCIIPBCYRGFE-OAHLLOKOSA-N 2 2 306.410 0.723 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC)CC2)CC1 ZINC000343779910 415722866 /nfs/dbraw/zinc/72/28/66/415722866.db2.gz LNVGHQLJWNYQIZ-UHFFFAOYSA-N 2 2 322.453 0.307 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201520 415707231 /nfs/dbraw/zinc/70/72/31/415707231.db2.gz SFOHEZYMTOLLRC-HZPDHXFCSA-N 2 2 322.453 0.791 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201520 415707236 /nfs/dbraw/zinc/70/72/36/415707236.db2.gz SFOHEZYMTOLLRC-HZPDHXFCSA-N 2 2 322.453 0.791 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119726021 415749991 /nfs/dbraw/zinc/74/99/91/415749991.db2.gz BAIYETFZVUKOMN-VPSFDDGASA-N 2 2 318.465 0.367 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119726021 415749998 /nfs/dbraw/zinc/74/99/98/415749998.db2.gz BAIYETFZVUKOMN-VPSFDDGASA-N 2 2 318.465 0.367 20 30 DCEDLP C#CCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119726021 415750004 /nfs/dbraw/zinc/75/00/04/415750004.db2.gz BAIYETFZVUKOMN-VPSFDDGASA-N 2 2 318.465 0.367 20 30 DCEDLP C#CCNC(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119726021 415750010 /nfs/dbraw/zinc/75/00/10/415750010.db2.gz BAIYETFZVUKOMN-VPSFDDGASA-N 2 2 318.465 0.367 20 30 DCEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCc2c[nH+]cn2C)CC1 ZINC000290686359 415824061 /nfs/dbraw/zinc/82/40/61/415824061.db2.gz QNYSWAQMUYJSGG-UHFFFAOYSA-N 2 2 308.386 0.445 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337168515 415920174 /nfs/dbraw/zinc/92/01/74/415920174.db2.gz BOFMXAOWJBFHMN-WBVHZDCISA-N 2 2 320.481 0.874 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC000337168515 415920176 /nfs/dbraw/zinc/92/01/76/415920176.db2.gz BOFMXAOWJBFHMN-WBVHZDCISA-N 2 2 320.481 0.874 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000293263933 415855149 /nfs/dbraw/zinc/85/51/49/415855149.db2.gz FDXNPHVYADQZOJ-UHFFFAOYSA-N 2 2 304.350 0.100 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000293263933 415855157 /nfs/dbraw/zinc/85/51/57/415855157.db2.gz FDXNPHVYADQZOJ-UHFFFAOYSA-N 2 2 304.350 0.100 20 30 DCEDLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000329547636 416177113 /nfs/dbraw/zinc/17/71/13/416177113.db2.gz HOFJSWRMDGDPTA-UHFFFAOYSA-N 2 2 307.398 0.631 20 30 DCEDLP COCC[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000330276723 416199846 /nfs/dbraw/zinc/19/98/46/416199846.db2.gz NHTQHUFRHOFEQL-ZIAGYGMSSA-N 2 2 321.425 0.764 20 30 DCEDLP COCC[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000330276723 416199849 /nfs/dbraw/zinc/19/98/49/416199849.db2.gz NHTQHUFRHOFEQL-ZIAGYGMSSA-N 2 2 321.425 0.764 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN(C)C(C)(C)C[NH+]2CCCC2)CC1 ZINC000491382383 416597564 /nfs/dbraw/zinc/59/75/64/416597564.db2.gz IGOZVIZGJBRHLF-UHFFFAOYSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000491667000 416611393 /nfs/dbraw/zinc/61/13/93/416611393.db2.gz KOSQCXIVLMWWCO-UHFFFAOYSA-N 2 2 322.412 0.914 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000490760453 416575524 /nfs/dbraw/zinc/57/55/24/416575524.db2.gz LITLMHXUUKMPPG-GOSISDBHSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000490760453 416575528 /nfs/dbraw/zinc/57/55/28/416575528.db2.gz LITLMHXUUKMPPG-GOSISDBHSA-N 2 2 319.449 0.656 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)CC1 ZINC000491806261 416630918 /nfs/dbraw/zinc/63/09/18/416630918.db2.gz QVSIWZRBDOXHBY-JKSUJKDBSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)CC1 ZINC000491806261 416630924 /nfs/dbraw/zinc/63/09/24/416630924.db2.gz QVSIWZRBDOXHBY-JKSUJKDBSA-N 2 2 307.438 0.247 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000562800412 416870294 /nfs/dbraw/zinc/87/02/94/416870294.db2.gz QEWWTMWHWXKGBU-HNNXBMFYSA-N 3 2 309.458 0.311 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000562800412 416870299 /nfs/dbraw/zinc/87/02/99/416870299.db2.gz QEWWTMWHWXKGBU-HNNXBMFYSA-N 3 2 309.458 0.311 20 30 DCEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000566607932 417051046 /nfs/dbraw/zinc/05/10/46/417051046.db2.gz GLYQULOGKCHNSA-CVEARBPZSA-N 2 2 312.458 0.139 20 30 DCEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000566607932 417051055 /nfs/dbraw/zinc/05/10/55/417051055.db2.gz GLYQULOGKCHNSA-CVEARBPZSA-N 2 2 312.458 0.139 20 30 DCEDLP C=C[C@H](CO)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662165909 418386207 /nfs/dbraw/zinc/38/62/07/418386207.db2.gz WKCFPORUXNKDOB-CQSZACIVSA-N 2 2 304.394 0.257 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261949330 277750519 /nfs/dbraw/zinc/75/05/19/277750519.db2.gz GUXIEMMIOGPOBT-OAHLLOKOSA-N 2 2 312.483 0.723 20 30 DCEDLP C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000429726731 338088368 /nfs/dbraw/zinc/08/83/68/338088368.db2.gz SOJLGGZZVWLHGG-MRXNPFEDSA-N 2 2 310.486 0.979 20 30 DCEDLP C=CC[N@H+](C)CCN(CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000429726731 338088369 /nfs/dbraw/zinc/08/83/69/338088369.db2.gz SOJLGGZZVWLHGG-MRXNPFEDSA-N 2 2 310.486 0.979 20 30 DCEDLP C=CCNC(=O)CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693265 338245516 /nfs/dbraw/zinc/24/55/16/338245516.db2.gz IKLDLXBKSAAICD-CQSZACIVSA-N 2 2 317.437 0.666 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2OCC)CC1 ZINC000491405124 339860990 /nfs/dbraw/zinc/86/09/90/339860990.db2.gz GSRBQHSFEAIACH-HZPDHXFCSA-N 2 2 307.438 0.701 20 30 DCEDLP CNC(=O)CC1CCN(C(NCCn2cc[nH+]c2)=[NH+]C)CC1 ZINC000261858389 526412630 /nfs/dbraw/zinc/41/26/30/526412630.db2.gz YZAXGNHEGDCLRF-UHFFFAOYSA-N 2 2 306.414 0.307 20 30 DCEDLP C#CCC[NH+]1CC(CCO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001675080669 1175325547 /nfs/dbraw/zinc/32/55/47/1175325547.db2.gz KKPWFQZUENTNJM-HNNXBMFYSA-N 2 2 307.438 0.437 20 30 DCEDLP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327645 661133178 /nfs/dbraw/zinc/13/31/78/661133178.db2.gz VCQDQNAOIBVTAY-INIZCTEOSA-N 2 2 319.453 0.924 20 30 DCEDLP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327645 661133180 /nfs/dbraw/zinc/13/31/80/661133180.db2.gz VCQDQNAOIBVTAY-INIZCTEOSA-N 2 2 319.453 0.924 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001022220504 657566241 /nfs/dbraw/zinc/56/62/41/657566241.db2.gz HITZPUPMKMFXQL-ZNMIVQPWSA-N 2 2 316.405 0.817 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001022220504 657566247 /nfs/dbraw/zinc/56/62/47/657566247.db2.gz HITZPUPMKMFXQL-ZNMIVQPWSA-N 2 2 316.405 0.817 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023292513 657709130 /nfs/dbraw/zinc/70/91/30/657709130.db2.gz WFNYIZVYRFSYOB-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023292513 657709135 /nfs/dbraw/zinc/70/91/35/657709135.db2.gz WFNYIZVYRFSYOB-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292513 657709140 /nfs/dbraw/zinc/70/91/40/657709140.db2.gz WFNYIZVYRFSYOB-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023292513 657709146 /nfs/dbraw/zinc/70/91/46/657709146.db2.gz WFNYIZVYRFSYOB-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602014 658031678 /nfs/dbraw/zinc/03/16/78/658031678.db2.gz XNBMVAANEVTRQH-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001023602014 658031687 /nfs/dbraw/zinc/03/16/87/658031687.db2.gz XNBMVAANEVTRQH-RBSFLKMASA-N 2 2 300.406 0.985 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674415 658226695 /nfs/dbraw/zinc/22/66/95/658226695.db2.gz PFSHSDIUYAUPIL-QGZVFWFLSA-N 2 2 305.422 0.409 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972674415 658226702 /nfs/dbraw/zinc/22/67/02/658226702.db2.gz PFSHSDIUYAUPIL-QGZVFWFLSA-N 2 2 305.422 0.409 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000949472447 658290862 /nfs/dbraw/zinc/29/08/62/658290862.db2.gz FYFJILFAHRSQES-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000949472447 658290867 /nfs/dbraw/zinc/29/08/67/658290867.db2.gz FYFJILFAHRSQES-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000949472447 658290873 /nfs/dbraw/zinc/29/08/73/658290873.db2.gz FYFJILFAHRSQES-INIZCTEOSA-N 2 2 319.449 0.655 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001028465057 661540316 /nfs/dbraw/zinc/54/03/16/661540316.db2.gz IFNCSAWJBWXZSI-QWHCGFSZSA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001028465057 661540318 /nfs/dbraw/zinc/54/03/18/661540318.db2.gz IFNCSAWJBWXZSI-QWHCGFSZSA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028465057 661540321 /nfs/dbraw/zinc/54/03/21/661540321.db2.gz IFNCSAWJBWXZSI-QWHCGFSZSA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001028465057 661540324 /nfs/dbraw/zinc/54/03/24/661540324.db2.gz IFNCSAWJBWXZSI-QWHCGFSZSA-N 2 2 301.818 0.508 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674999 663270236 /nfs/dbraw/zinc/27/02/36/663270236.db2.gz NRRMMSMGQKQHLM-OAHLLOKOSA-N 3 2 308.470 0.779 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674999 663270238 /nfs/dbraw/zinc/27/02/38/663270238.db2.gz NRRMMSMGQKQHLM-OAHLLOKOSA-N 3 2 308.470 0.779 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444668 665995863 /nfs/dbraw/zinc/99/58/63/665995863.db2.gz UJQIGZBBJCLPBO-KRWDZBQOSA-N 2 2 320.481 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000730277413 664674784 /nfs/dbraw/zinc/67/47/84/664674784.db2.gz SFWUFCJFNHKKJC-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000730277413 664674786 /nfs/dbraw/zinc/67/47/86/664674786.db2.gz SFWUFCJFNHKKJC-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000730277413 664674787 /nfs/dbraw/zinc/67/47/87/664674787.db2.gz SFWUFCJFNHKKJC-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000730277413 664674788 /nfs/dbraw/zinc/67/47/88/664674788.db2.gz SFWUFCJFNHKKJC-IRXDYDNUSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595631 666024863 /nfs/dbraw/zinc/02/48/63/666024863.db2.gz LHJNVBHGDRLVPW-UHFFFAOYSA-N 2 2 318.465 0.180 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221132 666634049 /nfs/dbraw/zinc/63/40/49/666634049.db2.gz SAVGBIKEOIXGIO-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221132 666634050 /nfs/dbraw/zinc/63/40/50/666634050.db2.gz SAVGBIKEOIXGIO-CYBMUJFWSA-N 2 2 304.394 0.906 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357295 666691018 /nfs/dbraw/zinc/69/10/18/666691018.db2.gz DKJYOADPHWLJNZ-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357295 666691020 /nfs/dbraw/zinc/69/10/20/666691020.db2.gz DKJYOADPHWLJNZ-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357295 666691022 /nfs/dbraw/zinc/69/10/22/666691022.db2.gz DKJYOADPHWLJNZ-CVEARBPZSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[C@@H](COC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000862548186 667047546 /nfs/dbraw/zinc/04/75/46/667047546.db2.gz ADDHZUSKXHLQTB-KRWDZBQOSA-N 2 2 309.454 0.411 20 30 DCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395021 667322601 /nfs/dbraw/zinc/32/26/01/667322601.db2.gz SOHKJICYQMCZRZ-HZPDHXFCSA-N 2 2 309.454 0.967 20 30 DCEDLP C=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395021 667322604 /nfs/dbraw/zinc/32/26/04/667322604.db2.gz SOHKJICYQMCZRZ-HZPDHXFCSA-N 2 2 309.454 0.967 20 30 DCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395021 667322607 /nfs/dbraw/zinc/32/26/07/667322607.db2.gz SOHKJICYQMCZRZ-HZPDHXFCSA-N 2 2 309.454 0.967 20 30 DCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395021 667322610 /nfs/dbraw/zinc/32/26/10/667322610.db2.gz SOHKJICYQMCZRZ-HZPDHXFCSA-N 2 2 309.454 0.967 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)c1cc(C[NH+](C)C)on1)CC2 ZINC001035739870 667406384 /nfs/dbraw/zinc/40/63/84/667406384.db2.gz PYOAISHHQVOWMR-UHFFFAOYSA-N 2 2 316.405 0.907 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000884334270 667526757 /nfs/dbraw/zinc/52/67/57/667526757.db2.gz LRGURWOFFWAGDJ-AWEZNQCLSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884612850 667575687 /nfs/dbraw/zinc/57/56/87/667575687.db2.gz VYHORQZZLQGWTC-AWEZNQCLSA-N 2 2 301.394 0.823 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000884612850 667575689 /nfs/dbraw/zinc/57/56/89/667575689.db2.gz VYHORQZZLQGWTC-AWEZNQCLSA-N 2 2 301.394 0.823 20 30 DCEDLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886267982 667750538 /nfs/dbraw/zinc/75/05/38/667750538.db2.gz YRXGQOYCFKRDLZ-AWEZNQCLSA-N 2 2 308.426 0.137 20 30 DCEDLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1=O ZINC000886267982 667750541 /nfs/dbraw/zinc/75/05/41/667750541.db2.gz YRXGQOYCFKRDLZ-AWEZNQCLSA-N 2 2 308.426 0.137 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](CC)C[NH+]2CCOCC2)CC1 ZINC000928641494 668608381 /nfs/dbraw/zinc/60/83/81/668608381.db2.gz XFXNNFRAJDRRJV-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC000949202931 670286329 /nfs/dbraw/zinc/28/63/29/670286329.db2.gz URSNYKAUTFYFPJ-UHFFFAOYSA-N 2 2 316.405 0.669 20 30 DCEDLP C=CCS(=O)(=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850244480 670899197 /nfs/dbraw/zinc/89/91/97/670899197.db2.gz TVOGQNYNSHOGMH-UHFFFAOYSA-N 2 2 306.391 0.958 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000887581646 685405811 /nfs/dbraw/zinc/40/58/11/685405811.db2.gz BIHLBSBGAIMEIY-HNNXBMFYSA-N 2 2 308.426 0.106 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000887581646 685405821 /nfs/dbraw/zinc/40/58/21/685405821.db2.gz BIHLBSBGAIMEIY-HNNXBMFYSA-N 2 2 308.426 0.106 20 30 DCEDLP CCOCCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000303788805 685207094 /nfs/dbraw/zinc/20/70/94/685207094.db2.gz USNITOIVAXKJTP-HNNXBMFYSA-N 2 2 313.490 0.589 20 30 DCEDLP C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958257994 687486196 /nfs/dbraw/zinc/48/61/96/687486196.db2.gz MFNYJFWYMDFDCC-TZMCWYRMSA-N 2 2 300.362 0.543 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960699140 688438906 /nfs/dbraw/zinc/43/89/06/688438906.db2.gz NLRCKKXWNUCLCA-NHAGDIPZSA-N 2 2 302.378 0.420 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960699140 688438910 /nfs/dbraw/zinc/43/89/10/688438910.db2.gz NLRCKKXWNUCLCA-NHAGDIPZSA-N 2 2 302.378 0.420 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284307 690832667 /nfs/dbraw/zinc/83/26/67/690832667.db2.gz ZASXYUFARRLSTJ-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284307 690832670 /nfs/dbraw/zinc/83/26/70/690832670.db2.gz ZASXYUFARRLSTJ-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284307 690832672 /nfs/dbraw/zinc/83/26/72/690832672.db2.gz ZASXYUFARRLSTJ-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284307 690832674 /nfs/dbraw/zinc/83/26/74/690832674.db2.gz ZASXYUFARRLSTJ-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040137143 694497643 /nfs/dbraw/zinc/49/76/43/694497643.db2.gz NAOIJSSOEHVSQC-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040137143 694497647 /nfs/dbraw/zinc/49/76/47/694497647.db2.gz NAOIJSSOEHVSQC-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040137143 694497649 /nfs/dbraw/zinc/49/76/49/694497649.db2.gz NAOIJSSOEHVSQC-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040137143 694497652 /nfs/dbraw/zinc/49/76/52/694497652.db2.gz NAOIJSSOEHVSQC-NVXWUHKLSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017570192 692940488 /nfs/dbraw/zinc/94/04/88/692940488.db2.gz WQANKAHMPQBCJW-TWMKSMIVSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017570192 692940492 /nfs/dbraw/zinc/94/04/92/692940492.db2.gz WQANKAHMPQBCJW-TWMKSMIVSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017570192 692940496 /nfs/dbraw/zinc/94/04/96/692940496.db2.gz WQANKAHMPQBCJW-TWMKSMIVSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017570192 692940500 /nfs/dbraw/zinc/94/05/00/692940500.db2.gz WQANKAHMPQBCJW-TWMKSMIVSA-N 2 2 317.433 0.548 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018280829 693077569 /nfs/dbraw/zinc/07/75/69/693077569.db2.gz VAKIIGCFESNBRH-HRCADAONSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018280829 693077571 /nfs/dbraw/zinc/07/75/71/693077571.db2.gz VAKIIGCFESNBRH-HRCADAONSA-N 2 2 305.422 0.263 20 30 DCEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001073886009 694796656 /nfs/dbraw/zinc/79/66/56/694796656.db2.gz FALXAXSQYSDGSN-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073886009 694796658 /nfs/dbraw/zinc/79/66/58/694796658.db2.gz FALXAXSQYSDGSN-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886009 694796659 /nfs/dbraw/zinc/79/66/59/694796659.db2.gz FALXAXSQYSDGSN-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073886009 694796661 /nfs/dbraw/zinc/79/66/61/694796661.db2.gz FALXAXSQYSDGSN-ZIAGYGMSSA-N 2 2 315.845 0.898 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001074297601 694862562 /nfs/dbraw/zinc/86/25/62/694862562.db2.gz QYBFWAKEEPGHSX-HOTGVXAUSA-N 2 2 316.405 0.517 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001074297601 694862566 /nfs/dbraw/zinc/86/25/66/694862566.db2.gz QYBFWAKEEPGHSX-HOTGVXAUSA-N 2 2 316.405 0.517 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001571550819 1162805635 /nfs/dbraw/zinc/80/56/35/1162805635.db2.gz UTQJRGUMRCOCGZ-LSDHHAIUSA-N 2 2 304.394 0.407 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001571602286 1162850501 /nfs/dbraw/zinc/85/05/01/1162850501.db2.gz CHLVKAZTKJIYQM-HOCLYGCPSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001571602286 1162850510 /nfs/dbraw/zinc/85/05/10/1162850510.db2.gz CHLVKAZTKJIYQM-HOCLYGCPSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001772514725 1157401952 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DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276687716 1159110890 /nfs/dbraw/zinc/11/08/90/1159110890.db2.gz GISYIWPEIYEXOM-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cc(C#N)ccn3)C[C@@H]21 ZINC001276687716 1159110891 /nfs/dbraw/zinc/11/08/91/1159110891.db2.gz GISYIWPEIYEXOM-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC#CCOC ZINC001566025219 1159945042 /nfs/dbraw/zinc/94/50/42/1159945042.db2.gz IIZDXYZYTKBTJK-JKSUJKDBSA-N 2 2 318.421 0.582 20 30 DCEDLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC#CCOC ZINC001566025219 1159945049 /nfs/dbraw/zinc/94/50/49/1159945049.db2.gz IIZDXYZYTKBTJK-JKSUJKDBSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCc2c[nH]c[nH+]2)C1=O ZINC001567023030 1160212234 /nfs/dbraw/zinc/21/22/34/1160212234.db2.gz XLAREZCYSMBBPY-GXTWGEPZSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CCc2c[nH+]c[nH]2)C1=O 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PLVKZGFKYNQMMP-UHFFFAOYSA-N 2 2 302.378 0.853 20 30 DCEDLP C=C(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001724669371 1184508925 /nfs/dbraw/zinc/50/89/25/1184508925.db2.gz FPCZMWQRHJIUNU-OAHLLOKOSA-N 2 2 320.437 0.822 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001724809804 1184566513 /nfs/dbraw/zinc/56/65/13/1184566513.db2.gz AXGAEJZNMBBIDQ-KRWDZBQOSA-N 2 2 324.384 0.936 20 30 DCEDLP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001724908714 1184615235 /nfs/dbraw/zinc/61/52/35/1184615235.db2.gz VNMHANOZNJSGNG-MRXNPFEDSA-N 2 2 304.394 0.240 20 30 DCEDLP COCC#CC[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001724962066 1184636211 /nfs/dbraw/zinc/63/62/11/1184636211.db2.gz WKDDGAVZPOZMFU-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001724980588 1184642106 /nfs/dbraw/zinc/64/21/06/1184642106.db2.gz YBBQITAYZGPCKG-HNNXBMFYSA-N 2 2 318.421 0.750 20 30 DCEDLP 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/nfs/dbraw/zinc/30/18/69/755301869.db2.gz ZXIURBFRSVSXGI-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCOC ZINC001049530766 755301873 /nfs/dbraw/zinc/30/18/73/755301873.db2.gz ZXIURBFRSVSXGI-IKGGRYGDSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCOC ZINC001049530770 755302135 /nfs/dbraw/zinc/30/21/35/755302135.db2.gz ZXIURBFRSVSXGI-ZACQAIPSSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCOC ZINC001049530770 755302141 /nfs/dbraw/zinc/30/21/41/755302141.db2.gz ZXIURBFRSVSXGI-ZACQAIPSSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCOC ZINC001049530770 755302146 /nfs/dbraw/zinc/30/21/46/755302146.db2.gz ZXIURBFRSVSXGI-ZACQAIPSSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCOC ZINC001049530770 755302151 /nfs/dbraw/zinc/30/21/51/755302151.db2.gz ZXIURBFRSVSXGI-ZACQAIPSSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362024 755694164 /nfs/dbraw/zinc/69/41/64/755694164.db2.gz SRUGAFLAJYEVET-HIFRSBDPSA-N 2 2 300.362 0.914 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362024 755694166 /nfs/dbraw/zinc/69/41/66/755694166.db2.gz SRUGAFLAJYEVET-HIFRSBDPSA-N 2 2 300.362 0.914 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079991863 756065649 /nfs/dbraw/zinc/06/56/49/756065649.db2.gz UXKVNDSGJAIWRG-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079991863 756065651 /nfs/dbraw/zinc/06/56/51/756065651.db2.gz UXKVNDSGJAIWRG-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2CCOC3(C[NH+](C(C)C)C3)C2)CC1 ZINC001053540968 756084755 /nfs/dbraw/zinc/08/47/55/756084755.db2.gz NNWNNZHKHCSJED-UHFFFAOYSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCC)C2)O1 ZINC001053610103 756118192 /nfs/dbraw/zinc/11/81/92/756118192.db2.gz INAPRXSWRFOYCF-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC2(C[NH+](CCC)C2)O1 ZINC001053610103 756118197 /nfs/dbraw/zinc/11/81/97/756118197.db2.gz INAPRXSWRFOYCF-CVEARBPZSA-N 2 2 319.449 0.844 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481551 756654430 /nfs/dbraw/zinc/65/44/30/756654430.db2.gz MPVVRFRXQAPTIU-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H](OC)C1 ZINC001081481551 756654433 /nfs/dbraw/zinc/65/44/33/756654433.db2.gz MPVVRFRXQAPTIU-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](OC)C1 ZINC001081481551 756654439 /nfs/dbraw/zinc/65/44/39/756654439.db2.gz MPVVRFRXQAPTIU-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](OC)C1 ZINC001081481551 756654441 /nfs/dbraw/zinc/65/44/41/756654441.db2.gz MPVVRFRXQAPTIU-RBSFLKMASA-N 2 2 311.426 0.099 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1OC ZINC001081810163 756818574 /nfs/dbraw/zinc/81/85/74/756818574.db2.gz KPQMUAVIADXJSI-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1OC ZINC001081810163 756818580 /nfs/dbraw/zinc/81/85/80/756818580.db2.gz KPQMUAVIADXJSI-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@H]1OC ZINC001081810163 756818586 /nfs/dbraw/zinc/81/85/86/756818586.db2.gz KPQMUAVIADXJSI-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCC2CC2)C[C@H]1OC ZINC001081810163 756818588 /nfs/dbraw/zinc/81/85/88/756818588.db2.gz KPQMUAVIADXJSI-IXDOHACOSA-N 2 2 319.449 0.700 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871001 756830303 /nfs/dbraw/zinc/83/03/03/756830303.db2.gz UEOXEIAZEDPNAG-FVQBIDKESA-N 2 2 316.405 0.284 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871001 756830307 /nfs/dbraw/zinc/83/03/07/756830307.db2.gz UEOXEIAZEDPNAG-FVQBIDKESA-N 2 2 316.405 0.284 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082198635 756954310 /nfs/dbraw/zinc/95/43/10/756954310.db2.gz GTBJDBCZSWPBDZ-BZUAXINKSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082198635 756954313 /nfs/dbraw/zinc/95/43/13/756954313.db2.gz GTBJDBCZSWPBDZ-BZUAXINKSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090377692 757234023 /nfs/dbraw/zinc/23/40/23/757234023.db2.gz LULHCCSGCKMBEZ-GXTWGEPZSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090377692 757234026 /nfs/dbraw/zinc/23/40/26/757234026.db2.gz LULHCCSGCKMBEZ-GXTWGEPZSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052036764 759132921 /nfs/dbraw/zinc/13/29/21/759132921.db2.gz ULAICSHQUZSHQQ-QGZVFWFLSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052036764 759132924 /nfs/dbraw/zinc/13/29/24/759132924.db2.gz ULAICSHQUZSHQQ-QGZVFWFLSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052036764 759132927 /nfs/dbraw/zinc/13/29/27/759132927.db2.gz ULAICSHQUZSHQQ-QGZVFWFLSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052036764 759132931 /nfs/dbraw/zinc/13/29/31/759132931.db2.gz ULAICSHQUZSHQQ-QGZVFWFLSA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001052043179 759137337 /nfs/dbraw/zinc/13/73/37/759137337.db2.gz QSZDWKAKLFUCQV-JKSUJKDBSA-N 2 2 308.470 0.731 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081464 759165325 /nfs/dbraw/zinc/16/53/25/759165325.db2.gz BRTIZYUGZPFZFM-DLBZAZTESA-N 2 2 320.481 0.733 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001052081464 759165329 /nfs/dbraw/zinc/16/53/29/759165329.db2.gz BRTIZYUGZPFZFM-DLBZAZTESA-N 2 2 320.481 0.733 20 30 DCEDLP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001052123959 759193893 /nfs/dbraw/zinc/19/38/93/759193893.db2.gz VKRCDGQMCUQPGC-MRXNPFEDSA-N 2 2 317.437 0.678 20 30 DCEDLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001147871959 767867133 /nfs/dbraw/zinc/86/71/33/767867133.db2.gz UMAOBASRLPIFOI-UHFFFAOYSA-N 2 2 315.352 0.879 20 30 DCEDLP C=C(Br)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147899957 767877844 /nfs/dbraw/zinc/87/78/44/767877844.db2.gz DWTVTUWPCGOXKI-UHFFFAOYSA-N 2 2 301.188 0.577 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100083710 760186326 /nfs/dbraw/zinc/18/63/26/760186326.db2.gz VSVFJHPJDPJZKQ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H](O)C1 ZINC001100083710 760186329 /nfs/dbraw/zinc/18/63/29/760186329.db2.gz VSVFJHPJDPJZKQ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083710 760186331 /nfs/dbraw/zinc/18/63/31/760186331.db2.gz VSVFJHPJDPJZKQ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H](O)C1 ZINC001100083710 760186335 /nfs/dbraw/zinc/18/63/35/760186335.db2.gz VSVFJHPJDPJZKQ-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=CC[N@@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445126 760269745 /nfs/dbraw/zinc/26/97/45/760269745.db2.gz KZIDSAJIMWDINK-UHFFFAOYSA-N 2 2 306.410 0.745 20 30 DCEDLP C=CC[N@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001098445126 760269747 /nfs/dbraw/zinc/26/97/47/760269747.db2.gz KZIDSAJIMWDINK-UHFFFAOYSA-N 2 2 306.410 0.745 20 30 DCEDLP COCC#CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148351965 767968553 /nfs/dbraw/zinc/96/85/53/767968553.db2.gz WBTRZEMUNQQELT-UHFFFAOYSA-N 2 2 302.378 0.136 20 30 DCEDLP COCC#CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148351965 767968557 /nfs/dbraw/zinc/96/85/57/767968557.db2.gz WBTRZEMUNQQELT-UHFFFAOYSA-N 2 2 302.378 0.136 20 30 DCEDLP C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2=O)C1 ZINC001108575532 760908168 /nfs/dbraw/zinc/90/81/68/760908168.db2.gz CKJVHUSBFGXBKK-HIFRSBDPSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCCC[NH+](C)C)CC2=O)C1 ZINC001108588072 760933714 /nfs/dbraw/zinc/93/37/14/760933714.db2.gz ZVLVANGPHQDILW-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847872 761577500 /nfs/dbraw/zinc/57/75/00/761577500.db2.gz LHRPCYXBKHESHB-PMPSAXMXSA-N 2 2 305.422 0.454 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847872 761577506 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C=CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266859916 939257020 /nfs/dbraw/zinc/25/70/20/939257020.db2.gz SERSDAGPPQUWCJ-HNNXBMFYSA-N 2 2 322.453 0.355 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001266859916 939257022 /nfs/dbraw/zinc/25/70/22/939257022.db2.gz SERSDAGPPQUWCJ-HNNXBMFYSA-N 2 2 322.453 0.355 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267148533 939359205 /nfs/dbraw/zinc/35/92/05/939359205.db2.gz LDNKHYHZSBZZCF-KBPBESRZSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267148533 939359207 /nfs/dbraw/zinc/35/92/07/939359207.db2.gz LDNKHYHZSBZZCF-KBPBESRZSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267267894 939409777 /nfs/dbraw/zinc/40/97/77/939409777.db2.gz TYEULPFDXIFIKB-HNNXBMFYSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267267894 939409778 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ZINC001484946339 943633152 /nfs/dbraw/zinc/63/31/52/943633152.db2.gz MGIYBGACBIJOOB-UHFFFAOYSA-N 2 2 306.454 0.180 20 30 DCEDLP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001485715619 944094230 /nfs/dbraw/zinc/09/42/30/944094230.db2.gz CIRKBXOHKIKPMG-STQMWFEESA-N 2 2 303.834 0.944 20 30 DCEDLP C=C(C)CN1C[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272809431 944242062 /nfs/dbraw/zinc/24/20/62/944242062.db2.gz VYADJGIWGLDJBW-QGZVFWFLSA-N 2 2 316.405 0.874 20 30 DCEDLP C=C(C)CN1C[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)OCC1=O ZINC001272809431 944242071 /nfs/dbraw/zinc/24/20/71/944242071.db2.gz VYADJGIWGLDJBW-QGZVFWFLSA-N 2 2 316.405 0.874 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001276789319 944300563 /nfs/dbraw/zinc/30/05/63/944300563.db2.gz OCCPCUWOZFCDHZ-HUUCEWRRSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001486220872 944660940 /nfs/dbraw/zinc/66/09/40/944660940.db2.gz BTYDBBKQYRKUSB-UONOGXRCSA-N 2 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/nfs/dbraw/zinc/19/06/90/416190690.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 2 311.474 0.465 20 30 DCEDLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000329774540 416190692 /nfs/dbraw/zinc/19/06/92/416190692.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 2 311.474 0.465 20 30 DCEDLP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000329774540 416190697 /nfs/dbraw/zinc/19/06/97/416190697.db2.gz MJFLWQVEOLMVRC-ILXRZTDVSA-N 2 2 311.474 0.465 20 30 DCEDLP CN(CC[NH+]1CCOCC1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330268508 416199223 /nfs/dbraw/zinc/19/92/23/416199223.db2.gz IRLUJMHYGZDOTG-CYBMUJFWSA-N 2 2 307.398 0.376 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000329269244 416160628 /nfs/dbraw/zinc/16/06/28/416160628.db2.gz GVIMQRAPXMWMJD-UONOGXRCSA-N 2 2 321.425 0.673 20 30 DCEDLP C#CCNC(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000491507525 416603811 /nfs/dbraw/zinc/60/38/11/416603811.db2.gz VSWWCGYRJZATDZ-UHFFFAOYSA-N 2 2 303.410 0.448 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000490759771 416575341 /nfs/dbraw/zinc/57/53/41/416575341.db2.gz GJXGZRFZVMLEDO-INIZCTEOSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000490759771 416575343 /nfs/dbraw/zinc/57/53/43/416575343.db2.gz GJXGZRFZVMLEDO-INIZCTEOSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000490759771 416575345 /nfs/dbraw/zinc/57/53/45/416575345.db2.gz GJXGZRFZVMLEDO-INIZCTEOSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)CC1 ZINC000490759771 416575347 /nfs/dbraw/zinc/57/53/47/416575347.db2.gz GJXGZRFZVMLEDO-INIZCTEOSA-N 2 2 306.454 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000490761014 416575883 /nfs/dbraw/zinc/57/58/83/416575883.db2.gz QRQOSIKDVARZKA-UHFFFAOYSA-N 3 2 306.454 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000491715679 416618074 /nfs/dbraw/zinc/61/80/74/416618074.db2.gz KZOJHXIAZARYHJ-WMZOPIPTSA-N 2 2 323.481 0.643 20 30 DCEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000615596180 416868093 /nfs/dbraw/zinc/86/80/93/416868093.db2.gz OWLTVSLHIYNQFN-OAHLLOKOSA-N 2 2 311.405 0.660 20 30 DCEDLP C=CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653075061 418019703 /nfs/dbraw/zinc/01/97/03/418019703.db2.gz CSWKNKCQYVJRMR-CQSZACIVSA-N 2 2 304.394 0.820 20 30 DCEDLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000418331663 271243037 /nfs/dbraw/zinc/24/30/37/271243037.db2.gz YBUCLMHDMPJESL-UHFFFAOYSA-N 2 2 315.421 0.995 20 30 DCEDLP C[C@H]([NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000330178619 336121026 /nfs/dbraw/zinc/12/10/26/336121026.db2.gz DUIDTOSJCSLBAP-MELADBBJSA-N 2 2 321.425 0.811 20 30 DCEDLP C[C@@H](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000571686731 337566685 /nfs/dbraw/zinc/56/66/85/337566685.db2.gz AQFZTVGSOOJEMO-HNNXBMFYSA-N 2 2 319.409 0.909 20 30 DCEDLP C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678777871 548004379 /nfs/dbraw/zinc/00/43/79/548004379.db2.gz FXYHIZPJCVUSRX-GJZGRUSLSA-N 2 2 324.469 0.639 20 30 DCEDLP C=CC[C@H](CO)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678777871 548004380 /nfs/dbraw/zinc/00/43/80/548004380.db2.gz FXYHIZPJCVUSRX-GJZGRUSLSA-N 2 2 324.469 0.639 20 30 DCEDLP C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685785930 548734560 /nfs/dbraw/zinc/73/45/60/548734560.db2.gz LHADWGCVTYNZKT-WBVHZDCISA-N 2 2 309.454 0.940 20 30 DCEDLP C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685785930 548734562 /nfs/dbraw/zinc/73/45/62/548734562.db2.gz LHADWGCVTYNZKT-WBVHZDCISA-N 2 2 309.454 0.940 20 30 DCEDLP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980224450 660894724 /nfs/dbraw/zinc/89/47/24/660894724.db2.gz ZHUVHOLXNIOVSG-KKUMJFAQSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC000980224450 660894726 /nfs/dbraw/zinc/89/47/26/660894726.db2.gz ZHUVHOLXNIOVSG-KKUMJFAQSA-N 2 2 300.406 0.813 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001031787159 665501487 /nfs/dbraw/zinc/50/14/87/665501487.db2.gz BJMASXRKXQQMAK-CQSZACIVSA-N 2 2 300.406 0.894 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001031787159 665501490 /nfs/dbraw/zinc/50/14/90/665501490.db2.gz BJMASXRKXQQMAK-CQSZACIVSA-N 2 2 300.406 0.894 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553047 657766291 /nfs/dbraw/zinc/76/62/91/657766291.db2.gz XVCYOAZPPISLDA-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553047 657766297 /nfs/dbraw/zinc/76/62/97/657766297.db2.gz XVCYOAZPPISLDA-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553047 657766302 /nfs/dbraw/zinc/76/63/02/657766302.db2.gz XVCYOAZPPISLDA-WMZOPIPTSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992688 658332629 /nfs/dbraw/zinc/33/26/29/658332629.db2.gz OETHTPSMIUFTBI-KGLIPLIRSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001022795106 658566535 /nfs/dbraw/zinc/56/65/35/658566535.db2.gz LBDQGVGVNZMPMH-GASCZTMLSA-N 2 2 305.422 0.501 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000972374622 658634525 /nfs/dbraw/zinc/63/45/25/658634525.db2.gz QYBFUJPOYPCXCN-FUHWJXTLSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000972374622 658634532 /nfs/dbraw/zinc/63/45/32/658634532.db2.gz QYBFUJPOYPCXCN-FUHWJXTLSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374622 658634535 /nfs/dbraw/zinc/63/45/35/658634535.db2.gz QYBFUJPOYPCXCN-FUHWJXTLSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000972374622 658634541 /nfs/dbraw/zinc/63/45/41/658634541.db2.gz QYBFUJPOYPCXCN-FUHWJXTLSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972420603 658746804 /nfs/dbraw/zinc/74/68/04/658746804.db2.gz ZWKXSEHLWLKSMV-DOTOQJQBSA-N 2 2 307.438 0.509 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972420603 658746810 /nfs/dbraw/zinc/74/68/10/658746810.db2.gz ZWKXSEHLWLKSMV-DOTOQJQBSA-N 2 2 307.438 0.509 20 30 DCEDLP C#CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001000358553 665825401 /nfs/dbraw/zinc/82/54/01/665825401.db2.gz VOVBWBAAPCXXPF-MRXNPFEDSA-N 2 2 319.449 0.845 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000928648701 662381593 /nfs/dbraw/zinc/38/15/93/662381593.db2.gz QNLWEORSENGRBR-SQFISAMPSA-N 2 2 305.422 0.479 20 30 DCEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000728712170 662413616 /nfs/dbraw/zinc/41/36/16/662413616.db2.gz XITXDWPWPXSADR-AWEZNQCLSA-N 2 2 316.405 0.841 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931688 665937149 /nfs/dbraw/zinc/93/71/49/665937149.db2.gz LMABVALGTMDEDB-OAHLLOKOSA-N 2 2 300.406 0.825 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000941412300 665993314 /nfs/dbraw/zinc/99/33/14/665993314.db2.gz CRNSYOXBYMPUOD-NVXWUHKLSA-N 2 2 318.465 0.178 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000941412300 665993317 /nfs/dbraw/zinc/99/33/17/665993317.db2.gz CRNSYOXBYMPUOD-NVXWUHKLSA-N 2 2 318.465 0.178 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030464318 664554541 /nfs/dbraw/zinc/55/45/41/664554541.db2.gz ONQIYSHHOCNGIY-HOCLYGCPSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030464318 664554542 /nfs/dbraw/zinc/55/45/42/664554542.db2.gz ONQIYSHHOCNGIY-HOCLYGCPSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000941454714 666003350 /nfs/dbraw/zinc/00/33/50/666003350.db2.gz IQJJYBIHERRAKJ-MRXNPFEDSA-N 2 2 306.454 0.178 20 30 DCEDLP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995974979 666727410 /nfs/dbraw/zinc/72/74/10/666727410.db2.gz NZIIOHFCNXNWAO-KGLIPLIRSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000996865569 666957828 /nfs/dbraw/zinc/95/78/28/666957828.db2.gz REBQCIYIIFMVGS-KRWDZBQOSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000996865569 666957833 /nfs/dbraw/zinc/95/78/33/666957833.db2.gz REBQCIYIIFMVGS-KRWDZBQOSA-N 2 2 319.449 0.701 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001035328093 667299588 /nfs/dbraw/zinc/29/95/88/667299588.db2.gz PKIUBOGHQWLISP-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001035328093 667299589 /nfs/dbraw/zinc/29/95/89/667299589.db2.gz PKIUBOGHQWLISP-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035328093 667299592 /nfs/dbraw/zinc/29/95/92/667299592.db2.gz PKIUBOGHQWLISP-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001035328093 667299593 /nfs/dbraw/zinc/29/95/93/667299593.db2.gz PKIUBOGHQWLISP-HUUCEWRRSA-N 2 2 311.426 0.100 20 30 DCEDLP CN(C)c1ccc(C#N)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000865435053 667325328 /nfs/dbraw/zinc/32/53/28/667325328.db2.gz XTYDQSAPSJSYHO-UHFFFAOYSA-N 2 2 315.421 0.488 20 30 DCEDLP C#CCC[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000866598839 667383436 /nfs/dbraw/zinc/38/34/36/667383436.db2.gz SFCZQOQNIVDEOL-UHFFFAOYSA-N 2 2 313.467 0.443 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)CC2 ZINC001035852502 667413410 /nfs/dbraw/zinc/41/34/10/667413410.db2.gz LARKNEPRJZHTAR-MRXNPFEDSA-N 2 2 319.449 0.512 20 30 DCEDLP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)Cn1cc[nH+]c1 ZINC000884196185 667494813 /nfs/dbraw/zinc/49/48/13/667494813.db2.gz KHKVPPMKYJYJGB-PGOFDVKTSA-N 2 2 301.394 0.775 20 30 DCEDLP C#CC[C@@H](COC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000875922933 668397278 /nfs/dbraw/zinc/39/72/78/668397278.db2.gz TUCRNPQJMDJTOC-HNNXBMFYSA-N 2 2 324.469 0.692 20 30 DCEDLP C#CC[C@@H](COC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000875922933 668397280 /nfs/dbraw/zinc/39/72/80/668397280.db2.gz TUCRNPQJMDJTOC-HNNXBMFYSA-N 2 2 324.469 0.692 20 30 DCEDLP C#CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000764727126 668459756 /nfs/dbraw/zinc/45/97/56/668459756.db2.gz IVLDKRPYZAYLCE-AWEZNQCLSA-N 2 2 304.438 0.962 20 30 DCEDLP C#CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000764727126 668459759 /nfs/dbraw/zinc/45/97/59/668459759.db2.gz IVLDKRPYZAYLCE-AWEZNQCLSA-N 2 2 304.438 0.962 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000876886049 668528487 /nfs/dbraw/zinc/52/84/87/668528487.db2.gz RCLCUFKFOWBAGA-RYUDHWBXSA-N 2 2 317.817 0.552 20 30 DCEDLP C#CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000784330589 669200027 /nfs/dbraw/zinc/20/00/27/669200027.db2.gz OHFRHJSHGBUCHE-CQSZACIVSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000784330589 669200031 /nfs/dbraw/zinc/20/00/31/669200031.db2.gz OHFRHJSHGBUCHE-CQSZACIVSA-N 2 2 308.426 0.104 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846121208 672295191 /nfs/dbraw/zinc/29/51/91/672295191.db2.gz JKJQDTLQTXVFQC-CYBMUJFWSA-N 2 2 306.410 0.275 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961185038 688564333 /nfs/dbraw/zinc/56/43/33/688564333.db2.gz JUWCWJJPOGZBOM-UOIKSKOESA-N 2 2 312.417 0.832 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961185038 688564338 /nfs/dbraw/zinc/56/43/38/688564338.db2.gz JUWCWJJPOGZBOM-UOIKSKOESA-N 2 2 312.417 0.832 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001014779111 692091472 /nfs/dbraw/zinc/09/14/72/692091472.db2.gz IMXGTVXKEPXIEH-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001014779111 692091474 /nfs/dbraw/zinc/09/14/74/692091474.db2.gz IMXGTVXKEPXIEH-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001014779111 692091475 /nfs/dbraw/zinc/09/14/75/692091475.db2.gz IMXGTVXKEPXIEH-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001014779111 692091477 /nfs/dbraw/zinc/09/14/77/692091477.db2.gz IMXGTVXKEPXIEH-WBVHZDCISA-N 2 2 319.449 0.844 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018277188 693077254 /nfs/dbraw/zinc/07/72/54/693077254.db2.gz NAVLYINDNFJTJE-YESZJQIVSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018277188 693077256 /nfs/dbraw/zinc/07/72/56/693077256.db2.gz NAVLYINDNFJTJE-YESZJQIVSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001018985735 693307513 /nfs/dbraw/zinc/30/75/13/693307513.db2.gz BWMYYDPBGMXXFJ-HOTGVXAUSA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC001018985735 693307518 /nfs/dbraw/zinc/30/75/18/693307518.db2.gz BWMYYDPBGMXXFJ-HOTGVXAUSA-N 2 2 315.421 0.208 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001020180085 693724709 /nfs/dbraw/zinc/72/47/09/693724709.db2.gz LBPSKWJQJBRVIC-LALPHHSUSA-N 2 2 301.394 0.660 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001020180085 693724713 /nfs/dbraw/zinc/72/47/13/693724713.db2.gz LBPSKWJQJBRVIC-LALPHHSUSA-N 2 2 301.394 0.660 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001570450011 1162521531 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324.469 0.409 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001670501309 1157451654 /nfs/dbraw/zinc/45/16/54/1157451654.db2.gz NAVIECHVSRFFLJ-OAHLLOKOSA-N 2 2 318.421 0.487 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001691544378 1158331444 /nfs/dbraw/zinc/33/14/44/1158331444.db2.gz BVPAIXAYVNLEEW-WKILWMFISA-N 2 2 318.421 0.798 20 30 DCEDLP C#CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001566035498 1159949216 /nfs/dbraw/zinc/94/92/16/1159949216.db2.gz LVIUILHDBCYFBS-HNNXBMFYSA-N 2 2 318.421 0.569 20 30 DCEDLP C#CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001566035498 1159949218 /nfs/dbraw/zinc/94/92/18/1159949218.db2.gz LVIUILHDBCYFBS-HNNXBMFYSA-N 2 2 318.421 0.569 20 30 DCEDLP C=CC[NH+]1CCN(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001566649736 1160111103 /nfs/dbraw/zinc/11/11/03/1160111103.db2.gz GUNHFYJJGHJJRC-UHFFFAOYSA-N 2 2 321.425 0.270 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566671295 1160123617 /nfs/dbraw/zinc/12/36/17/1160123617.db2.gz RYHVYBUSFBBRRJ-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001566671295 1160123618 /nfs/dbraw/zinc/12/36/18/1160123618.db2.gz RYHVYBUSFBBRRJ-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001566793682 1160154689 /nfs/dbraw/zinc/15/46/89/1160154689.db2.gz XHSMTNQEWZARIZ-FDYHWXHSSA-N 2 2 317.393 0.052 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001566793682 1160154695 /nfs/dbraw/zinc/15/46/95/1160154695.db2.gz XHSMTNQEWZARIZ-FDYHWXHSSA-N 2 2 317.393 0.052 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001567028706 1160213596 /nfs/dbraw/zinc/21/35/96/1160213596.db2.gz LFLUMXSRAIHQFU-KBPBESRZSA-N 2 2 306.410 0.742 20 30 DCEDLP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001568191587 1160595142 /nfs/dbraw/zinc/59/51/42/1160595142.db2.gz HJSVJQFXCWTFFG-RDJZCZTQSA-N 2 2 321.465 0.995 20 30 DCEDLP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001568191587 1160595143 /nfs/dbraw/zinc/59/51/43/1160595143.db2.gz HJSVJQFXCWTFFG-RDJZCZTQSA-N 2 2 321.465 0.995 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568300108 1160624748 /nfs/dbraw/zinc/62/47/48/1160624748.db2.gz KMASDDOIBUJYOD-RBSFLKMASA-N 2 2 318.421 0.610 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2cnon2)CC1 ZINC001568800854 1160777598 /nfs/dbraw/zinc/77/75/98/1160777598.db2.gz STSDICULRHNHKJ-UHFFFAOYSA-N 2 2 319.409 0.353 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]2CNC(=O)CC[N@@H+](C)CC)C1=O ZINC001569379413 1161037814 /nfs/dbraw/zinc/03/78/14/1161037814.db2.gz AZSMBWUIYWIMKD-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([NH+]2CC[C@@H]2CNC(=O)CC[N@H+](C)CC)C1=O ZINC001569379413 1161037823 /nfs/dbraw/zinc/03/78/23/1161037823.db2.gz AZSMBWUIYWIMKD-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)CC)C1=O ZINC001569379413 1161037830 /nfs/dbraw/zinc/03/78/30/1161037830.db2.gz AZSMBWUIYWIMKD-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)CC)C1=O ZINC001569379413 1161037837 /nfs/dbraw/zinc/03/78/37/1161037837.db2.gz AZSMBWUIYWIMKD-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001569731735 1161209418 /nfs/dbraw/zinc/20/94/18/1161209418.db2.gz HYACSZAIIJVKMW-UHFFFAOYSA-N 2 2 304.394 0.241 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753317 1161224559 /nfs/dbraw/zinc/22/45/59/1161224559.db2.gz WVDCREUXXOUXMB-CJNGLKHVSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001569753317 1161224562 /nfs/dbraw/zinc/22/45/62/1161224562.db2.gz WVDCREUXXOUXMB-CJNGLKHVSA-N 2 2 304.394 0.185 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCOCC1 ZINC001570301900 1161555161 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C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001734118432 1186552554 /nfs/dbraw/zinc/55/25/54/1186552554.db2.gz XJVAAETWGQXQSL-RDJZCZTQSA-N 2 2 317.433 0.170 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1 ZINC001734118432 1186552559 /nfs/dbraw/zinc/55/25/59/1186552559.db2.gz XJVAAETWGQXQSL-RDJZCZTQSA-N 2 2 317.433 0.170 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734352000 1186620986 /nfs/dbraw/zinc/62/09/86/1186620986.db2.gz WVEMCFCKVOCVMW-QWHCGFSZSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001734420096 1186648740 /nfs/dbraw/zinc/64/87/40/1186648740.db2.gz QRQPGCUHACKPSS-KGLIPLIRSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001734515684 1186671117 /nfs/dbraw/zinc/67/11/17/1186671117.db2.gz FONDDCZTHAINEF-AWEZNQCLSA-N 2 2 300.362 0.298 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001753066418 1188489511 /nfs/dbraw/zinc/48/95/11/1188489511.db2.gz SZHVEXKTXDTYMY-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001753066418 1188489515 /nfs/dbraw/zinc/48/95/15/1188489515.db2.gz SZHVEXKTXDTYMY-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001753066418 1188489518 /nfs/dbraw/zinc/48/95/18/1188489518.db2.gz SZHVEXKTXDTYMY-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001753066418 1188489521 /nfs/dbraw/zinc/48/95/21/1188489521.db2.gz SZHVEXKTXDTYMY-HUUCEWRRSA-N 2 2 322.453 0.354 20 30 DCEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001753775911 1188653634 /nfs/dbraw/zinc/65/36/34/1188653634.db2.gz WURUVPLOWSTLOK-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001753775911 1188653636 /nfs/dbraw/zinc/65/36/36/1188653636.db2.gz WURUVPLOWSTLOK-HOTGVXAUSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CC[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001754020575 1188713413 /nfs/dbraw/zinc/71/34/13/1188713413.db2.gz QFZMNXFAWIXUJL-CHWSQXEVSA-N 2 2 319.409 0.224 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001754825438 1188942561 /nfs/dbraw/zinc/94/25/61/1188942561.db2.gz ZXSIFATWPYEIID-KBPBESRZSA-N 2 2 306.410 0.839 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001755085419 1189017177 /nfs/dbraw/zinc/01/71/77/1189017177.db2.gz FSLPEVDQIJOKQQ-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001755086391 1189017786 /nfs/dbraw/zinc/01/77/86/1189017786.db2.gz IWZWRCGRVMAWHJ-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001755807542 1189225518 /nfs/dbraw/zinc/22/55/18/1189225518.db2.gz IFLRUACVKQWRCI-OAHLLOKOSA-N 2 2 306.410 0.438 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001755807542 1189225526 /nfs/dbraw/zinc/22/55/26/1189225526.db2.gz IFLRUACVKQWRCI-OAHLLOKOSA-N 2 2 306.410 0.438 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)C(C)C)nn2)C1 ZINC001107238508 751969823 /nfs/dbraw/zinc/96/98/23/751969823.db2.gz APXLBBJDPIGUCY-UHFFFAOYSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)C(C)C)nn2)C1 ZINC001107238508 751969826 /nfs/dbraw/zinc/96/98/26/751969826.db2.gz APXLBBJDPIGUCY-UHFFFAOYSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CCC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167508215 747345495 /nfs/dbraw/zinc/34/54/95/747345495.db2.gz DWPYEFRNDTYUKZ-UHFFFAOYSA-N 2 2 307.438 0.751 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083275968 747726220 /nfs/dbraw/zinc/72/62/20/747726220.db2.gz GIMIKRDMJCFOSH-LSDHHAIUSA-N 2 2 304.394 0.679 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083275968 747726227 /nfs/dbraw/zinc/72/62/27/747726227.db2.gz GIMIKRDMJCFOSH-LSDHHAIUSA-N 2 2 304.394 0.679 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CC(CC)CC)C[C@H]1O ZINC001077159055 750235338 /nfs/dbraw/zinc/23/53/38/750235338.db2.gz MARUEPNSCRVNIS-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1O ZINC001077159055 750235346 /nfs/dbraw/zinc/23/53/46/750235346.db2.gz MARUEPNSCRVNIS-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@H]1O ZINC001077159055 750235351 /nfs/dbraw/zinc/23/53/51/750235351.db2.gz MARUEPNSCRVNIS-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CC(CC)CC)C[C@H]1O ZINC001077159055 750235358 /nfs/dbraw/zinc/23/53/58/750235358.db2.gz MARUEPNSCRVNIS-IXDOHACOSA-N 2 2 321.465 0.682 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399653 750395065 /nfs/dbraw/zinc/39/50/65/750395065.db2.gz UCOGZUVKFURPJR-GDBMZVCRSA-N 2 2 318.421 0.499 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001077399653 750395072 /nfs/dbraw/zinc/39/50/72/750395072.db2.gz UCOGZUVKFURPJR-GDBMZVCRSA-N 2 2 318.421 0.499 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731643 751181075 /nfs/dbraw/zinc/18/10/75/751181075.db2.gz IFPXTQJRKROHRC-BMFZPTHFSA-N 2 2 318.421 0.491 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](O)C1 ZINC001083731643 751181079 /nfs/dbraw/zinc/18/10/79/751181079.db2.gz IFPXTQJRKROHRC-BMFZPTHFSA-N 2 2 318.421 0.491 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998713 752868040 /nfs/dbraw/zinc/86/80/40/752868040.db2.gz PUCJJYUJNBECKM-WBVHZDCISA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998713 752868045 /nfs/dbraw/zinc/86/80/45/752868045.db2.gz PUCJJYUJNBECKM-WBVHZDCISA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001077980411 752939706 /nfs/dbraw/zinc/93/97/06/752939706.db2.gz VKAORCMBZLSTOY-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980411 752939711 /nfs/dbraw/zinc/93/97/11/752939711.db2.gz VKAORCMBZLSTOY-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077980411 752939715 /nfs/dbraw/zinc/93/97/15/752939715.db2.gz VKAORCMBZLSTOY-OWCLPIDISA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108032567 753080437 /nfs/dbraw/zinc/08/04/37/753080437.db2.gz BCTPFYBZLSSHDS-QGZVFWFLSA-N 2 2 309.454 0.947 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108032567 753080443 /nfs/dbraw/zinc/08/04/43/753080443.db2.gz BCTPFYBZLSSHDS-QGZVFWFLSA-N 2 2 309.454 0.947 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032567 753080447 /nfs/dbraw/zinc/08/04/47/753080447.db2.gz BCTPFYBZLSSHDS-QGZVFWFLSA-N 2 2 309.454 0.947 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032567 753080452 /nfs/dbraw/zinc/08/04/52/753080452.db2.gz BCTPFYBZLSSHDS-QGZVFWFLSA-N 2 2 309.454 0.947 20 30 DCEDLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC[N@@H+]1C ZINC001046032180 753436371 /nfs/dbraw/zinc/43/63/71/753436371.db2.gz FMGWMOFYBQPTDO-OWCLPIDISA-N 2 2 319.453 0.069 20 30 DCEDLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)CC[N@H+]1C ZINC001046032180 753436374 /nfs/dbraw/zinc/43/63/74/753436374.db2.gz FMGWMOFYBQPTDO-OWCLPIDISA-N 2 2 319.453 0.069 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049606 753447937 /nfs/dbraw/zinc/44/79/37/753447937.db2.gz SPGGUGTUFBBTMR-MRXNPFEDSA-N 2 2 315.421 0.125 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049606 753447942 /nfs/dbraw/zinc/44/79/42/753447942.db2.gz SPGGUGTUFBBTMR-MRXNPFEDSA-N 2 2 315.421 0.125 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065890 753458936 /nfs/dbraw/zinc/45/89/36/753458936.db2.gz FPJLKIDGEZWVCJ-INIZCTEOSA-N 2 2 317.437 0.747 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001046065890 753458939 /nfs/dbraw/zinc/45/89/39/753458939.db2.gz FPJLKIDGEZWVCJ-INIZCTEOSA-N 2 2 317.437 0.747 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088387 753474910 /nfs/dbraw/zinc/47/49/10/753474910.db2.gz MNUAPIUYSSGERG-INIZCTEOSA-N 2 2 315.421 0.125 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088387 753474915 /nfs/dbraw/zinc/47/49/15/753474915.db2.gz MNUAPIUYSSGERG-INIZCTEOSA-N 2 2 315.421 0.125 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553586 754386262 /nfs/dbraw/zinc/38/62/62/754386262.db2.gz MOLYUIREYABGNH-JYJNAYRXSA-N 2 2 307.438 0.386 20 30 DCEDLP C#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553586 754386261 /nfs/dbraw/zinc/38/62/61/754386261.db2.gz MOLYUIREYABGNH-JYJNAYRXSA-N 2 2 307.438 0.386 20 30 DCEDLP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553586 754386266 /nfs/dbraw/zinc/38/62/66/754386266.db2.gz MOLYUIREYABGNH-JYJNAYRXSA-N 2 2 307.438 0.386 20 30 DCEDLP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553586 754386269 /nfs/dbraw/zinc/38/62/69/754386269.db2.gz MOLYUIREYABGNH-JYJNAYRXSA-N 2 2 307.438 0.386 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052342 754502557 /nfs/dbraw/zinc/50/25/57/754502557.db2.gz CGVWBJWJKOLLHH-CABCVRRESA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052342 754502561 /nfs/dbraw/zinc/50/25/61/754502561.db2.gz CGVWBJWJKOLLHH-CABCVRRESA-N 2 2 318.425 0.290 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129052342 754502572 /nfs/dbraw/zinc/50/25/72/754502572.db2.gz CGVWBJWJKOLLHH-CABCVRRESA-N 2 2 318.425 0.290 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCO ZINC001049529682 755300959 /nfs/dbraw/zinc/30/09/59/755300959.db2.gz QFMHOEZRDFKLFD-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049529682 755300965 /nfs/dbraw/zinc/30/09/65/755300965.db2.gz QFMHOEZRDFKLFD-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCO ZINC001049529682 755300971 /nfs/dbraw/zinc/30/09/71/755300971.db2.gz QFMHOEZRDFKLFD-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCO ZINC001049529682 755300973 /nfs/dbraw/zinc/30/09/73/755300973.db2.gz QFMHOEZRDFKLFD-BBWFWOEESA-N 2 2 319.449 0.532 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001097248614 755635281 /nfs/dbraw/zinc/63/52/81/755635281.db2.gz DEXPIZXBCDNXFC-WCVJEAGWSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001097248614 755635283 /nfs/dbraw/zinc/63/52/83/755635283.db2.gz DEXPIZXBCDNXFC-WCVJEAGWSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO ZINC001097248614 755635285 /nfs/dbraw/zinc/63/52/85/755635285.db2.gz DEXPIZXBCDNXFC-WCVJEAGWSA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCCO ZINC001097248614 755635286 /nfs/dbraw/zinc/63/52/86/755635286.db2.gz DEXPIZXBCDNXFC-WCVJEAGWSA-N 2 2 305.422 0.188 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001053427554 756040373 /nfs/dbraw/zinc/04/03/73/756040373.db2.gz DCTDNKJYNHRBCJ-HNNXBMFYSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001053427554 756040380 /nfs/dbraw/zinc/04/03/80/756040380.db2.gz DCTDNKJYNHRBCJ-HNNXBMFYSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)O2 ZINC001053600648 756115325 /nfs/dbraw/zinc/11/53/25/756115325.db2.gz OEKDYPBXJFCWCB-HZPDHXFCSA-N 2 2 319.449 0.864 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001053807674 756216752 /nfs/dbraw/zinc/21/67/52/756216752.db2.gz OFXCHEIXNJNPPI-OWCLPIDISA-N 2 2 319.449 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001053807674 756216756 /nfs/dbraw/zinc/21/67/56/756216756.db2.gz OFXCHEIXNJNPPI-OWCLPIDISA-N 2 2 319.449 0.700 20 30 DCEDLP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446124 756216901 /nfs/dbraw/zinc/21/69/01/756216901.db2.gz BKDHLHVCUAOPPH-IVMMDQJWSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446124 756216905 /nfs/dbraw/zinc/21/69/05/756216905.db2.gz BKDHLHVCUAOPPH-IVMMDQJWSA-N 2 2 300.406 0.824 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053871448 756253020 /nfs/dbraw/zinc/25/30/20/756253020.db2.gz GHEZZMWMNZWKBV-AWEZNQCLSA-N 2 2 302.378 0.174 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053983488 756315957 /nfs/dbraw/zinc/31/59/57/756315957.db2.gz ZKCQIGJSYSYOIX-CABCVRRESA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053983488 756315962 /nfs/dbraw/zinc/31/59/62/756315962.db2.gz ZKCQIGJSYSYOIX-CABCVRRESA-N 2 2 307.438 0.864 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884495 756836658 /nfs/dbraw/zinc/83/66/58/756836658.db2.gz ARDNFFYMLNHSOY-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081884495 756836663 /nfs/dbraw/zinc/83/66/63/756836663.db2.gz ARDNFFYMLNHSOY-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884495 756836667 /nfs/dbraw/zinc/83/66/67/756836667.db2.gz ARDNFFYMLNHSOY-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081884495 756836670 /nfs/dbraw/zinc/83/66/70/756836670.db2.gz ARDNFFYMLNHSOY-BRWVUGGUSA-N 2 2 321.465 0.946 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001082457795 757144107 /nfs/dbraw/zinc/14/41/07/757144107.db2.gz GBGRHFPZCJRGRA-RTXFEEFZSA-N 2 2 301.818 0.506 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001082457795 757144111 /nfs/dbraw/zinc/14/41/11/757144111.db2.gz GBGRHFPZCJRGRA-RTXFEEFZSA-N 2 2 301.818 0.506 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)CC1 ZINC001051255137 758549498 /nfs/dbraw/zinc/54/94/98/758549498.db2.gz PFYGQCLJJQVWFB-KRWDZBQOSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)CC1 ZINC001051255137 758549499 /nfs/dbraw/zinc/54/94/99/758549499.db2.gz PFYGQCLJJQVWFB-KRWDZBQOSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052035563 759131830 /nfs/dbraw/zinc/13/18/30/759131830.db2.gz DRBDWKHHEDHKIM-KRWDZBQOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001052035563 759131834 /nfs/dbraw/zinc/13/18/34/759131834.db2.gz DRBDWKHHEDHKIM-KRWDZBQOSA-N 2 2 318.465 0.322 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001086158719 759774451 /nfs/dbraw/zinc/77/44/51/759774451.db2.gz RSZYKSMUWGGYGQ-IXDOHACOSA-N 2 2 319.449 0.605 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001086158719 759774459 /nfs/dbraw/zinc/77/44/59/759774459.db2.gz RSZYKSMUWGGYGQ-IXDOHACOSA-N 2 2 319.449 0.605 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094451 760244360 /nfs/dbraw/zinc/24/43/60/760244360.db2.gz MWOXMNOERDAACV-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094451 760244366 /nfs/dbraw/zinc/24/43/66/760244366.db2.gz MWOXMNOERDAACV-HUUCEWRRSA-N 2 2 306.410 0.480 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108399589 760473840 /nfs/dbraw/zinc/47/38/40/760473840.db2.gz SBXPBEFVRKYDJM-MRXNPFEDSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108399589 760473842 /nfs/dbraw/zinc/47/38/42/760473842.db2.gz SBXPBEFVRKYDJM-MRXNPFEDSA-N 2 2 306.410 0.975 20 30 DCEDLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C#N)c(C)c1Cl ZINC001169067012 760567923 /nfs/dbraw/zinc/56/79/23/760567923.db2.gz KUAFAHGERGUETK-SECBINFHSA-N 2 2 321.768 0.972 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC2=O)C1 ZINC001108586792 760927101 /nfs/dbraw/zinc/92/71/01/760927101.db2.gz DOOSDCGVHZIOAO-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC[N@H+](C)CCC)CC2=O)C1 ZINC001108586792 760927107 /nfs/dbraw/zinc/92/71/07/760927107.db2.gz DOOSDCGVHZIOAO-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071222487 761717446 /nfs/dbraw/zinc/71/74/46/761717446.db2.gz CQTQGNDJYFLUOI-RHSMWYFYSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071222487 761717454 /nfs/dbraw/zinc/71/74/54/761717454.db2.gz CQTQGNDJYFLUOI-RHSMWYFYSA-N 2 2 316.405 0.667 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnc(CC)[nH]1 ZINC001129770460 763007418 /nfs/dbraw/zinc/00/74/18/763007418.db2.gz GKZMBTHGXSADHP-OLZOCXBDSA-N 2 2 318.425 0.232 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871517 763089107 /nfs/dbraw/zinc/08/91/07/763089107.db2.gz GKZHYZJDELRNLN-OLZOCXBDSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099871517 763089114 /nfs/dbraw/zinc/08/91/14/763089114.db2.gz GKZHYZJDELRNLN-OLZOCXBDSA-N 2 2 315.845 0.775 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048622 763257256 /nfs/dbraw/zinc/25/72/56/763257256.db2.gz OHTXMBQBASNONY-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048622 763257265 /nfs/dbraw/zinc/25/72/65/763257265.db2.gz OHTXMBQBASNONY-QWHCGFSZSA-N 2 2 303.834 0.632 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001130453010 763323013 /nfs/dbraw/zinc/32/30/13/763323013.db2.gz QHAWNRGESHVKQN-CYBMUJFWSA-N 2 2 312.377 0.345 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001130453010 763323022 /nfs/dbraw/zinc/32/30/22/763323022.db2.gz QHAWNRGESHVKQN-CYBMUJFWSA-N 2 2 312.377 0.345 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490331 763349417 /nfs/dbraw/zinc/34/94/17/763349417.db2.gz AZOMRGSSFWDJBL-CYBMUJFWSA-N 2 2 306.410 0.731 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490331 763349427 /nfs/dbraw/zinc/34/94/27/763349427.db2.gz AZOMRGSSFWDJBL-CYBMUJFWSA-N 2 2 306.410 0.731 20 30 DCEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001100461102 763591077 /nfs/dbraw/zinc/59/10/77/763591077.db2.gz KXOWFKUEJUWZDO-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822346 764044512 /nfs/dbraw/zinc/04/45/12/764044512.db2.gz NUIKMWJSRXEEON-CQSZACIVSA-N 2 2 315.845 0.946 20 30 DCEDLP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131822346 764044515 /nfs/dbraw/zinc/04/45/15/764044515.db2.gz NUIKMWJSRXEEON-CQSZACIVSA-N 2 2 315.845 0.946 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+](CC)CC)c1nccn12 ZINC001101647869 764219641 /nfs/dbraw/zinc/21/96/41/764219641.db2.gz MCKMVWVWIKDWSP-CQSZACIVSA-N 2 2 317.437 0.983 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086734524 765941129 /nfs/dbraw/zinc/94/11/29/765941129.db2.gz KEMCKFYKYHCPRO-SOUVJXGZSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136031949 766215172 /nfs/dbraw/zinc/21/51/72/766215172.db2.gz UAPDEDLQLXTGKM-VXGBXAGGSA-N 2 2 321.425 0.436 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCCNc2cc[nH+]c(C)n2)CC1 ZINC001093686416 768684516 /nfs/dbraw/zinc/68/45/16/768684516.db2.gz ITEAAMPPKPPMTI-UHFFFAOYSA-N 2 2 301.394 0.658 20 30 DCEDLP C=CCOCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618492 769612199 /nfs/dbraw/zinc/61/21/99/769612199.db2.gz ONYWYTCIKICOMF-HNNXBMFYSA-N 2 2 306.410 0.593 20 30 DCEDLP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235301621 769798889 /nfs/dbraw/zinc/79/88/89/769798889.db2.gz CXCMXUSTMGUOAS-HOTGVXAUSA-N 2 2 319.453 0.922 20 30 DCEDLP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235301621 769798897 /nfs/dbraw/zinc/79/88/97/769798897.db2.gz CXCMXUSTMGUOAS-HOTGVXAUSA-N 2 2 319.453 0.922 20 30 DCEDLP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176686311 770153700 /nfs/dbraw/zinc/15/37/00/770153700.db2.gz VGIKLFWYOAGCKK-RDJZCZTQSA-N 2 2 321.465 0.995 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001183772241 771699058 /nfs/dbraw/zinc/69/90/58/771699058.db2.gz DPHFLVQUNWZDRQ-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844526 772121206 /nfs/dbraw/zinc/12/12/06/772121206.db2.gz JANKQCPJJVBVKN-UHFFFAOYSA-N 2 2 307.394 0.931 20 30 DCEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001187987652 772254787 /nfs/dbraw/zinc/25/47/87/772254787.db2.gz FHEQGXSMXPQVMU-CVEARBPZSA-N 2 2 307.438 0.864 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162428153 772371310 /nfs/dbraw/zinc/37/13/10/772371310.db2.gz YPQZMKYBSZIJCO-UHFFFAOYSA-N 2 2 300.362 0.694 20 30 DCEDLP CC#CC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)(COC)CC1 ZINC001162507531 772383829 /nfs/dbraw/zinc/38/38/29/772383829.db2.gz ZRVMSXXMJSELDP-UHFFFAOYSA-N 2 2 318.421 0.820 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471498 772477602 /nfs/dbraw/zinc/47/76/02/772477602.db2.gz USJSPZDHPOEMGR-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471498 772477606 /nfs/dbraw/zinc/47/76/06/772477606.db2.gz USJSPZDHPOEMGR-LSDHHAIUSA-N 2 2 322.453 0.163 20 30 DCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001192153143 772876020 /nfs/dbraw/zinc/87/60/20/772876020.db2.gz MEKNMVVUPUMZQA-GJZGRUSLSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001192153143 772876023 /nfs/dbraw/zinc/87/60/23/772876023.db2.gz MEKNMVVUPUMZQA-GJZGRUSLSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001192153143 772876026 /nfs/dbraw/zinc/87/60/26/772876026.db2.gz MEKNMVVUPUMZQA-GJZGRUSLSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001192153143 772876030 /nfs/dbraw/zinc/87/60/30/772876030.db2.gz MEKNMVVUPUMZQA-GJZGRUSLSA-N 2 2 319.409 0.176 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203538562 772912308 /nfs/dbraw/zinc/91/23/08/772912308.db2.gz JGZWLROGOILLPB-UONOGXRCSA-N 2 2 316.405 0.619 20 30 DCEDLP COCC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295186 773575196 /nfs/dbraw/zinc/57/51/96/773575196.db2.gz IJJYURQJBCVHAI-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295186 773575203 /nfs/dbraw/zinc/57/52/03/773575203.db2.gz IJJYURQJBCVHAI-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001196295186 773575209 /nfs/dbraw/zinc/57/52/09/773575209.db2.gz IJJYURQJBCVHAI-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP COCC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001196295186 773575217 /nfs/dbraw/zinc/57/52/17/773575217.db2.gz IJJYURQJBCVHAI-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197689236 773783684 /nfs/dbraw/zinc/78/36/84/773783684.db2.gz HKVAGXUXASSPQV-NUJGCVRESA-N 2 2 315.417 0.258 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC001197689236 773783686 /nfs/dbraw/zinc/78/36/86/773783686.db2.gz HKVAGXUXASSPQV-NUJGCVRESA-N 2 2 315.417 0.258 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198133504 773860196 /nfs/dbraw/zinc/86/01/96/773860196.db2.gz BWNKAEOSXMXBRD-NILFDRSVSA-N 2 2 306.410 0.777 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198133504 773860200 /nfs/dbraw/zinc/86/02/00/773860200.db2.gz BWNKAEOSXMXBRD-NILFDRSVSA-N 2 2 306.410 0.777 20 30 DCEDLP C=C(C)C(=O)NCCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220043315 774679575 /nfs/dbraw/zinc/67/95/75/774679575.db2.gz NMGMTXNMUPHZCB-CQSZACIVSA-N 2 2 304.394 0.457 20 30 DCEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccc(C#N)c(F)c1 ZINC001220448939 774812371 /nfs/dbraw/zinc/81/23/71/774812371.db2.gz CJMGKFXUQNBLQM-AWEZNQCLSA-N 2 2 301.325 0.617 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520195 774834933 /nfs/dbraw/zinc/83/49/33/774834933.db2.gz NUXPZXUNYLZDKI-YUELXQCFSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520195 774834940 /nfs/dbraw/zinc/83/49/40/774834940.db2.gz NUXPZXUNYLZDKI-YUELXQCFSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520195 774834948 /nfs/dbraw/zinc/83/49/48/774834948.db2.gz NUXPZXUNYLZDKI-YUELXQCFSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520195 774834958 /nfs/dbraw/zinc/83/49/58/774834958.db2.gz NUXPZXUNYLZDKI-YUELXQCFSA-N 2 2 306.410 0.716 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852266 774935464 /nfs/dbraw/zinc/93/54/64/774935464.db2.gz BWNKAEOSXMXBRD-GLQYFDAESA-N 2 2 306.410 0.777 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852266 774935471 /nfs/dbraw/zinc/93/54/71/774935471.db2.gz BWNKAEOSXMXBRD-GLQYFDAESA-N 2 2 306.410 0.777 20 30 DCEDLP N#CCC[NH2+]CC(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116019 774999384 /nfs/dbraw/zinc/99/93/84/774999384.db2.gz HUUJEVCBSNJOMU-UHFFFAOYSA-N 2 2 301.394 0.322 20 30 DCEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001221816503 775205279 /nfs/dbraw/zinc/20/52/79/775205279.db2.gz ZBNWUYSBISJBDW-OWCLPIDISA-N 2 2 307.438 0.509 20 30 DCEDLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CC#CCOC)C[C@H]21)[NH+](C)C ZINC001221816503 775205289 /nfs/dbraw/zinc/20/52/89/775205289.db2.gz ZBNWUYSBISJBDW-OWCLPIDISA-N 2 2 307.438 0.509 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001221816299 775205732 /nfs/dbraw/zinc/20/57/32/775205732.db2.gz RNAHAJGTEZKTJR-QLFBSQMISA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001221816299 775205736 /nfs/dbraw/zinc/20/57/36/775205736.db2.gz RNAHAJGTEZKTJR-QLFBSQMISA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099682 775271454 /nfs/dbraw/zinc/27/14/54/775271454.db2.gz ZSOQNEGIBQNWEZ-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411006 775847219 /nfs/dbraw/zinc/84/72/19/775847219.db2.gz DOFLOZDUDRETGJ-HZMVEIRTSA-N 2 2 319.449 0.700 20 30 DCEDLP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411006 775847225 /nfs/dbraw/zinc/84/72/25/775847225.db2.gz DOFLOZDUDRETGJ-HZMVEIRTSA-N 2 2 319.449 0.700 20 30 DCEDLP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230612695 776353684 /nfs/dbraw/zinc/35/36/84/776353684.db2.gz DLQKKIDVHPVUKH-INIZCTEOSA-N 2 2 322.453 0.791 20 30 DCEDLP C[NH+](C)CCOCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC#N)CC1 ZINC001230612695 776353690 /nfs/dbraw/zinc/35/36/90/776353690.db2.gz DLQKKIDVHPVUKH-INIZCTEOSA-N 2 2 322.453 0.791 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042160287 777749736 /nfs/dbraw/zinc/74/97/36/777749736.db2.gz OCRQDRRFJXFNLX-CABCVRRESA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001042160287 777749744 /nfs/dbraw/zinc/74/97/44/777749744.db2.gz OCRQDRRFJXFNLX-CABCVRRESA-N 2 2 300.406 0.909 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001278263821 945199499 /nfs/dbraw/zinc/19/94/99/945199499.db2.gz NPTXKHHSAZKQLZ-DZGCQCFKSA-N 2 2 304.394 0.571 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001278263821 945199504 /nfs/dbraw/zinc/19/95/04/945199504.db2.gz NPTXKHHSAZKQLZ-DZGCQCFKSA-N 2 2 304.394 0.571 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266495035 939134830 /nfs/dbraw/zinc/13/48/30/939134830.db2.gz FQMMTUSDJUZWAH-CQSZACIVSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266495035 939134832 /nfs/dbraw/zinc/13/48/32/939134832.db2.gz FQMMTUSDJUZWAH-CQSZACIVSA-N 2 2 319.409 0.074 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267634653 939604981 /nfs/dbraw/zinc/60/49/81/939604981.db2.gz ISCHTBQTAJFPNF-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267634653 939604983 /nfs/dbraw/zinc/60/49/83/939604983.db2.gz ISCHTBQTAJFPNF-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267692764 939628204 /nfs/dbraw/zinc/62/82/04/939628204.db2.gz KPTNSCBRUYCAOH-ZIAGYGMSSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267692764 939628205 /nfs/dbraw/zinc/62/82/05/939628205.db2.gz KPTNSCBRUYCAOH-ZIAGYGMSSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268095004 939945122 /nfs/dbraw/zinc/94/51/22/939945122.db2.gz XJXWQPHBPSVBMZ-NEPJUHHUSA-N 2 2 307.398 0.079 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318261126 945307837 /nfs/dbraw/zinc/30/78/37/945307837.db2.gz SSSZKULUQMKHHC-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318261126 945307847 /nfs/dbraw/zinc/30/78/47/945307847.db2.gz SSSZKULUQMKHHC-CABCVRRESA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001269029656 940596718 /nfs/dbraw/zinc/59/67/18/940596718.db2.gz DRZOYCKHAHSJGK-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001269029656 940596719 /nfs/dbraw/zinc/59/67/19/940596719.db2.gz DRZOYCKHAHSJGK-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001269029656 940596721 /nfs/dbraw/zinc/59/67/21/940596721.db2.gz DRZOYCKHAHSJGK-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001269029656 940596722 /nfs/dbraw/zinc/59/67/22/940596722.db2.gz DRZOYCKHAHSJGK-GJZGRUSLSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001271964834 941493840 /nfs/dbraw/zinc/49/38/40/941493840.db2.gz GGPCXFGUGSKDQE-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001271964834 941493844 /nfs/dbraw/zinc/49/38/44/941493844.db2.gz GGPCXFGUGSKDQE-WMLDXEAASA-N 2 2 318.421 0.575 20 30 DCEDLP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001271973841 941496788 /nfs/dbraw/zinc/49/67/88/941496788.db2.gz NJQDSAAEOUTXBQ-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001271973841 941496789 /nfs/dbraw/zinc/49/67/89/941496789.db2.gz NJQDSAAEOUTXBQ-QGZVFWFLSA-N 2 2 320.437 0.872 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482954888 941723345 /nfs/dbraw/zinc/72/33/45/941723345.db2.gz QVAYKQHRIZUFMW-AWEZNQCLSA-N 2 2 306.410 0.676 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482954888 941723347 /nfs/dbraw/zinc/72/33/47/941723347.db2.gz QVAYKQHRIZUFMW-AWEZNQCLSA-N 2 2 306.410 0.676 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](CCC=C)CC1 ZINC001483982416 943068894 /nfs/dbraw/zinc/06/88/94/943068894.db2.gz UCEDWWXGNNNBIU-KRWDZBQOSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](CCC=C)CC1 ZINC001483982416 943068902 /nfs/dbraw/zinc/06/89/02/943068902.db2.gz UCEDWWXGNNNBIU-KRWDZBQOSA-N 2 2 319.449 0.819 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484725618 943535780 /nfs/dbraw/zinc/53/57/80/943535780.db2.gz HSEMKHOTBBGSHP-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484725618 943535781 /nfs/dbraw/zinc/53/57/81/943535781.db2.gz HSEMKHOTBBGSHP-AWEZNQCLSA-N 2 2 304.394 0.573 20 30 DCEDLP CCC1([NH2+]CC#CCOC)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484816978 943587213 /nfs/dbraw/zinc/58/72/13/943587213.db2.gz VGYXRMFYZYOAKL-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP C=CCOCC[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484962524 943634351 /nfs/dbraw/zinc/63/43/51/943634351.db2.gz ZCGOFCQPQGDDOP-UHFFFAOYSA-N 2 2 322.409 0.098 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001491507030 944057960 /nfs/dbraw/zinc/05/79/60/944057960.db2.gz GSKOHKZXRVITBC-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001485639529 944058016 /nfs/dbraw/zinc/05/80/16/944058016.db2.gz DWCOFVKKRTUFCN-KBPBESRZSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485817576 944171606 /nfs/dbraw/zinc/17/16/06/944171606.db2.gz TZQWXILNCPNBMO-LSDHHAIUSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccns2)CC1 ZINC001277079165 944654952 /nfs/dbraw/zinc/65/49/52/944654952.db2.gz AHAMHUKKBIPUGT-AWEZNQCLSA-N 2 2 318.446 0.979 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccns2)CC1 ZINC001277079165 944654957 /nfs/dbraw/zinc/65/49/57/944654957.db2.gz AHAMHUKKBIPUGT-AWEZNQCLSA-N 2 2 318.446 0.979 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316995017 944728674 /nfs/dbraw/zinc/72/86/74/944728674.db2.gz NLJVRUCSMVKGNO-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001316995017 944728678 /nfs/dbraw/zinc/72/86/78/944728678.db2.gz NLJVRUCSMVKGNO-IAGOWNOFSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317357460 944937819 /nfs/dbraw/zinc/93/78/19/944937819.db2.gz IYUQUOGUYMIVMZ-CHWSQXEVSA-N 2 2 319.409 0.271 20 30 DCEDLP N#CCCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277951511 945057983 /nfs/dbraw/zinc/05/79/83/945057983.db2.gz KRFUGGJNUNCXKF-HOTGVXAUSA-N 2 2 303.410 0.962 20 30 DCEDLP N#CCCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277951511 945057993 /nfs/dbraw/zinc/05/79/93/945057993.db2.gz KRFUGGJNUNCXKF-HOTGVXAUSA-N 2 2 303.410 0.962 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001319711345 945650962 /nfs/dbraw/zinc/65/09/62/945650962.db2.gz OMYRIEWXNJVUCD-CABCVRRESA-N 2 2 304.394 0.360 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001320084723 945735382 /nfs/dbraw/zinc/73/53/82/945735382.db2.gz KJYKNLQTPRVZCM-CYBMUJFWSA-N 2 2 321.425 0.272 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001320084723 945735386 /nfs/dbraw/zinc/73/53/86/945735386.db2.gz KJYKNLQTPRVZCM-CYBMUJFWSA-N 2 2 321.425 0.272 20 30 DCEDLP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251839929 945792309 /nfs/dbraw/zinc/79/23/09/945792309.db2.gz KCFDONYDCFLHLF-SOLBZPMBSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251839929 945792312 /nfs/dbraw/zinc/79/23/12/945792312.db2.gz KCFDONYDCFLHLF-SOLBZPMBSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001251839929 945792315 /nfs/dbraw/zinc/79/23/15/945792315.db2.gz KCFDONYDCFLHLF-SOLBZPMBSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001251839929 945792316 /nfs/dbraw/zinc/79/23/16/945792316.db2.gz KCFDONYDCFLHLF-SOLBZPMBSA-N 2 2 315.417 0.456 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001278787944 946395856 /nfs/dbraw/zinc/39/58/56/946395856.db2.gz YADKQDXHHHJPHO-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001278787944 946395868 /nfs/dbraw/zinc/39/58/68/946395868.db2.gz YADKQDXHHHJPHO-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278864406 946497057 /nfs/dbraw/zinc/49/70/57/946497057.db2.gz FOVJJGIGAVOSCU-LSDHHAIUSA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278864406 946497059 /nfs/dbraw/zinc/49/70/59/946497059.db2.gz FOVJJGIGAVOSCU-LSDHHAIUSA-N 2 2 320.437 0.773 20 30 DCEDLP C#CC[N@@H+](CCC(=O)OC)C1CC[NH+](CCC(=O)OC)CC1 ZINC001262019080 947533157 /nfs/dbraw/zinc/53/31/57/947533157.db2.gz GKWYNJPUDRMXEK-UHFFFAOYSA-N 2 2 310.394 0.512 20 30 DCEDLP C#CC[N@H+](CCC(=O)OC)C1CC[NH+](CCC(=O)OC)CC1 ZINC001262019080 947533169 /nfs/dbraw/zinc/53/31/69/947533169.db2.gz GKWYNJPUDRMXEK-UHFFFAOYSA-N 2 2 310.394 0.512 20 30 DCEDLP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001325102978 947656131 /nfs/dbraw/zinc/65/61/31/947656131.db2.gz WLWNEILOQKJECD-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001325102978 947656133 /nfs/dbraw/zinc/65/61/33/947656133.db2.gz WLWNEILOQKJECD-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001325102978 947656138 /nfs/dbraw/zinc/65/61/38/947656138.db2.gz WLWNEILOQKJECD-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001325102978 947656141 /nfs/dbraw/zinc/65/61/41/947656141.db2.gz WLWNEILOQKJECD-INIZCTEOSA-N 2 2 306.410 0.862 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001325265970 947733611 /nfs/dbraw/zinc/73/36/11/947733611.db2.gz XITOHZDPGWIDOQ-HNNXBMFYSA-N 2 2 309.454 0.847 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001325265970 947733615 /nfs/dbraw/zinc/73/36/15/947733615.db2.gz XITOHZDPGWIDOQ-HNNXBMFYSA-N 2 2 309.454 0.847 20 30 DCEDLP C=CCC1(O)CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001262592470 947736483 /nfs/dbraw/zinc/73/64/83/947736483.db2.gz RSDSUVAJBXQORY-UHFFFAOYSA-N 2 2 310.442 0.522 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179692250 947888829 /nfs/dbraw/zinc/88/88/29/947888829.db2.gz OEEDDWLJDPQMSN-DZKIICNBSA-N 2 2 318.421 0.817 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179692250 947888832 /nfs/dbraw/zinc/88/88/32/947888832.db2.gz OEEDDWLJDPQMSN-DZKIICNBSA-N 2 2 318.421 0.817 20 30 DCEDLP C=CCCC[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001273487691 947924362 /nfs/dbraw/zinc/92/43/62/947924362.db2.gz OIMUJPNDXCHEGA-UHFFFAOYSA-N 2 2 304.394 0.763 20 30 DCEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001326301253 948123968 /nfs/dbraw/zinc/12/39/68/948123968.db2.gz BBESDCFVVFTBMF-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=C[C@H](O)C[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273885769 948654913 /nfs/dbraw/zinc/65/49/13/948654913.db2.gz RNGZXGBYPRVHIB-HOCLYGCPSA-N 2 2 304.394 0.534 20 30 DCEDLP C=C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273885769 948654915 /nfs/dbraw/zinc/65/49/15/948654915.db2.gz RNGZXGBYPRVHIB-HOCLYGCPSA-N 2 2 304.394 0.534 20 30 DCEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264665167 949065536 /nfs/dbraw/zinc/06/55/36/949065536.db2.gz WGIBPIJQFXDSHR-HNNXBMFYSA-N 2 2 318.421 0.486 20 30 DCEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264665167 949065551 /nfs/dbraw/zinc/06/55/51/949065551.db2.gz WGIBPIJQFXDSHR-HNNXBMFYSA-N 2 2 318.421 0.486 20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001490264080 950523279 /nfs/dbraw/zinc/52/32/79/950523279.db2.gz KSUUFEHFIZIXMH-ZDUSSCGKSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+](C)CCCNC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001490264080 950523298 /nfs/dbraw/zinc/52/32/98/950523298.db2.gz KSUUFEHFIZIXMH-ZDUSSCGKSA-N 2 2 319.409 0.177 20 30 DCEDLP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001279531005 950623389 /nfs/dbraw/zinc/62/33/89/950623389.db2.gz YEZWXSSKTCRULR-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001279531005 950623404 /nfs/dbraw/zinc/62/34/04/950623404.db2.gz YEZWXSSKTCRULR-MRXNPFEDSA-N 2 2 306.410 0.792 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2cnon2)CC1 ZINC001331643383 951216697 /nfs/dbraw/zinc/21/66/97/951216697.db2.gz HTLCYPVNOCFKJC-CYBMUJFWSA-N 2 2 319.409 0.351 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001281254111 951413006 /nfs/dbraw/zinc/41/30/06/951413006.db2.gz CVIWPGGUSDLEKC-UHFFFAOYSA-N 2 2 304.394 0.552 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001332469752 951656602 /nfs/dbraw/zinc/65/66/02/951656602.db2.gz HIVZWQWUZZDDJI-RYUDHWBXSA-N 2 2 314.311 0.743 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001282523172 953615083 /nfs/dbraw/zinc/61/50/83/953615083.db2.gz LEIRYKOZLIFYOT-INIZCTEOSA-N 2 2 319.449 0.437 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001282523172 953615091 /nfs/dbraw/zinc/61/50/91/953615091.db2.gz LEIRYKOZLIFYOT-INIZCTEOSA-N 2 2 319.449 0.437 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001283618522 954488614 /nfs/dbraw/zinc/48/86/14/954488614.db2.gz VCCITNLSGKRXQG-DOMZBBRYSA-N 2 2 319.409 0.412 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001283618522 954488620 /nfs/dbraw/zinc/48/86/20/954488620.db2.gz VCCITNLSGKRXQG-DOMZBBRYSA-N 2 2 319.409 0.412 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001284130368 954868715 /nfs/dbraw/zinc/86/87/15/954868715.db2.gz KZBCHBRLBZBMQC-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001284130368 954868725 /nfs/dbraw/zinc/86/87/25/954868725.db2.gz KZBCHBRLBZBMQC-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001284332772 955015749 /nfs/dbraw/zinc/01/57/49/955015749.db2.gz PTOFGXPIBAYHDL-CQSZACIVSA-N 2 2 304.394 0.429 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001367596397 958145213 /nfs/dbraw/zinc/14/52/13/958145213.db2.gz FXBWYXWFWWGKPM-VXGBXAGGSA-N 2 2 312.801 0.265 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001448958798 1014109150 /nfs/dbraw/zinc/10/91/50/1014109150.db2.gz VUIJDVRBJQNBEN-LLVKDONJSA-N 2 2 319.390 0.083 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001394608523 993902433 /nfs/dbraw/zinc/90/24/33/993902433.db2.gz QUXDMXPRJOJOQE-JTQLQIEISA-N 2 2 316.789 0.169 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001401833842 1000762985 /nfs/dbraw/zinc/76/29/85/1000762985.db2.gz KNTWIKVQMGCFSB-STQMWFEESA-N 2 2 301.818 0.554 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001401833842 1000762990 /nfs/dbraw/zinc/76/29/90/1000762990.db2.gz KNTWIKVQMGCFSB-STQMWFEESA-N 2 2 301.818 0.554 20 30 DCEDLP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCOC ZINC001508046163 1016624533 /nfs/dbraw/zinc/62/45/33/1016624533.db2.gz RBILKEIOFBWBKR-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CCC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCOC ZINC001508046163 1016624552 /nfs/dbraw/zinc/62/45/52/1016624552.db2.gz RBILKEIOFBWBKR-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001438198360 1007699104 /nfs/dbraw/zinc/69/91/04/1007699104.db2.gz YXQNBHKUOUDFFK-JSGCOSHPSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001438198360 1007699108 /nfs/dbraw/zinc/69/91/08/1007699108.db2.gz YXQNBHKUOUDFFK-JSGCOSHPSA-N 2 2 315.845 0.898 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001479738104 1017682172 /nfs/dbraw/zinc/68/21/72/1017682172.db2.gz WHBDGVNYHVGNIR-INIZCTEOSA-N 2 2 318.421 0.915 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001479738104 1017682177 /nfs/dbraw/zinc/68/21/77/1017682177.db2.gz WHBDGVNYHVGNIR-INIZCTEOSA-N 2 2 318.421 0.915 20 30 DCEDLP COCC#CC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001500003029 1018164305 /nfs/dbraw/zinc/16/43/05/1018164305.db2.gz KUDSYUURASSOKT-UHFFFAOYSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CC2CC2)CC1 ZINC001500033133 1018179567 /nfs/dbraw/zinc/17/95/67/1018179567.db2.gz SXBYEYOVRNYPKB-QGZVFWFLSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC2CC2)CC1 ZINC001500033133 1018179571 /nfs/dbraw/zinc/17/95/71/1018179571.db2.gz SXBYEYOVRNYPKB-QGZVFWFLSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001500689868 1018579975 /nfs/dbraw/zinc/57/99/75/1018579975.db2.gz RVKLEGBWODACPX-XJKCOSOUSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001500689868 1018579984 /nfs/dbraw/zinc/57/99/84/1018579984.db2.gz RVKLEGBWODACPX-XJKCOSOUSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001500689868 1018579991 /nfs/dbraw/zinc/57/99/91/1018579991.db2.gz RVKLEGBWODACPX-XJKCOSOUSA-N 2 2 304.394 0.642 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001500689868 1018579999 /nfs/dbraw/zinc/57/99/99/1018579999.db2.gz RVKLEGBWODACPX-XJKCOSOUSA-N 2 2 304.394 0.642 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001480486491 1018586014 /nfs/dbraw/zinc/58/60/14/1018586014.db2.gz LJKHIEQQAIUBMA-LBPRGKRZSA-N 2 2 300.362 0.921 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001495596470 1018593041 /nfs/dbraw/zinc/59/30/41/1018593041.db2.gz OTOQMMJGYYWQHM-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP COCC#CC[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001493603357 1019557597 /nfs/dbraw/zinc/55/75/97/1019557597.db2.gz NGYQDLJSIOACGL-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497013027 1019917525 /nfs/dbraw/zinc/91/75/25/1019917525.db2.gz VLNJOYVDHYQUJJ-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC1(C#N)CCC1 ZINC000363898436 282214823 /nfs/dbraw/zinc/21/48/23/282214823.db2.gz BOWOCGWEPUBDJB-KFWWJZLASA-N 2 2 320.437 0.732 20 30 DCEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC1(C#N)CCC1 ZINC000363898436 282214825 /nfs/dbraw/zinc/21/48/25/282214825.db2.gz BOWOCGWEPUBDJB-KFWWJZLASA-N 2 2 320.437 0.732 20 30 DCEDLP [NH2+]=C(NCCCn1cc[nH+]c1)N1CCN(c2ncccn2)CC1 ZINC000264056166 238187834 /nfs/dbraw/zinc/18/78/34/238187834.db2.gz AUXUKFVFCXBSIN-UHFFFAOYSA-N 2 2 314.397 0.200 20 30 DCEDLP COCCNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000264114700 238190786 /nfs/dbraw/zinc/19/07/86/238190786.db2.gz SAECYGVDTKMDTR-UHFFFAOYSA-N 2 2 306.410 0.570 20 30 DCEDLP COCCNC(=[NH2+])NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000264153313 533339904 /nfs/dbraw/zinc/33/99/04/533339904.db2.gz ZUHONSOWUIXKEC-ZDUSSCGKSA-N 2 2 324.425 0.857 20 30 DCEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000329441135 396844597 /nfs/dbraw/zinc/84/45/97/396844597.db2.gz KXVVEFBGSOGSQW-HUUCEWRRSA-N 2 2 311.474 0.610 20 30 DCEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000329441135 396844599 /nfs/dbraw/zinc/84/45/99/396844599.db2.gz KXVVEFBGSOGSQW-HUUCEWRRSA-N 2 2 311.474 0.610 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000591357956 396909174 /nfs/dbraw/zinc/90/91/74/396909174.db2.gz HLEATHUUPDPWCK-ZDUSSCGKSA-N 2 2 321.812 0.996 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000591357956 396909178 /nfs/dbraw/zinc/90/91/78/396909178.db2.gz HLEATHUUPDPWCK-ZDUSSCGKSA-N 2 2 321.812 0.996 20 30 DCEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000598597844 397255768 /nfs/dbraw/zinc/25/57/68/397255768.db2.gz UTZYOGKOMNQXGU-HUUCEWRRSA-N 2 2 322.453 0.701 20 30 DCEDLP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000598597844 397255773 /nfs/dbraw/zinc/25/57/73/397255773.db2.gz UTZYOGKOMNQXGU-HUUCEWRRSA-N 2 2 322.453 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)CC1 ZINC000491181739 397501470 /nfs/dbraw/zinc/50/14/70/397501470.db2.gz VPQUMYDBHSSJMS-IRXDYDNUSA-N 2 2 321.465 0.779 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)CC1 ZINC000491181739 397501471 /nfs/dbraw/zinc/50/14/71/397501471.db2.gz VPQUMYDBHSSJMS-IRXDYDNUSA-N 2 2 321.465 0.779 20 30 DCEDLP O=C(C[N@H+]1CCSC[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329658490 416183822 /nfs/dbraw/zinc/18/38/22/416183822.db2.gz NQIXEBRNGHPDJO-CQSZACIVSA-N 2 2 313.467 0.979 20 30 DCEDLP O=C(C[N@@H+]1CCSC[C@H]1CO)NC1CC[NH+](C2CC2)CC1 ZINC000329658490 416183825 /nfs/dbraw/zinc/18/38/25/416183825.db2.gz NQIXEBRNGHPDJO-CQSZACIVSA-N 2 2 313.467 0.979 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128324 416493801 /nfs/dbraw/zinc/49/38/01/416493801.db2.gz MPLWOYBHMDDRIU-UHFFFAOYSA-N 2 2 317.393 0.970 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000491386745 416598502 /nfs/dbraw/zinc/59/85/02/416598502.db2.gz WAVHQXAIYVTKIX-IRXDYDNUSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000491386745 416598504 /nfs/dbraw/zinc/59/85/04/416598504.db2.gz WAVHQXAIYVTKIX-IRXDYDNUSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000491474156 416602758 /nfs/dbraw/zinc/60/27/58/416602758.db2.gz KLQUGQJLJMQKRA-OAHLLOKOSA-N 2 2 310.442 0.304 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000491474156 416602763 /nfs/dbraw/zinc/60/27/63/416602763.db2.gz KLQUGQJLJMQKRA-OAHLLOKOSA-N 2 2 310.442 0.304 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000490819858 416576979 /nfs/dbraw/zinc/57/69/79/416576979.db2.gz KVUIFKHEJGLVOV-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000490819858 416576984 /nfs/dbraw/zinc/57/69/84/416576984.db2.gz KVUIFKHEJGLVOV-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000490819858 416576986 /nfs/dbraw/zinc/57/69/86/416576986.db2.gz KVUIFKHEJGLVOV-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000490819858 416576990 /nfs/dbraw/zinc/57/69/90/416576990.db2.gz KVUIFKHEJGLVOV-IAGOWNOFSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000490851765 416577278 /nfs/dbraw/zinc/57/72/78/416577278.db2.gz ICRNQUVRCMANDP-KRWDZBQOSA-N 2 2 314.433 0.939 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000490851765 416577282 /nfs/dbraw/zinc/57/72/82/416577282.db2.gz ICRNQUVRCMANDP-KRWDZBQOSA-N 2 2 314.433 0.939 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000490948019 416581097 /nfs/dbraw/zinc/58/10/97/416581097.db2.gz CKIQJCXQQBYRQP-OAHLLOKOSA-N 2 2 317.437 0.892 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491741358 416621399 /nfs/dbraw/zinc/62/13/99/416621399.db2.gz ZKIGZZBSOJZEHZ-HUUCEWRRSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000491741358 416621403 /nfs/dbraw/zinc/62/14/03/416621403.db2.gz ZKIGZZBSOJZEHZ-HUUCEWRRSA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000491747090 416621586 /nfs/dbraw/zinc/62/15/86/416621586.db2.gz MMWMPFOQYYWXNU-CVEARBPZSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000491747090 416621590 /nfs/dbraw/zinc/62/15/90/416621590.db2.gz MMWMPFOQYYWXNU-CVEARBPZSA-N 2 2 307.438 0.389 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000491747932 416623538 /nfs/dbraw/zinc/62/35/38/416623538.db2.gz DCOFXDLBOGEDDT-SJORKVTESA-N 2 2 315.417 0.351 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000491747932 416623540 /nfs/dbraw/zinc/62/35/40/416623540.db2.gz DCOFXDLBOGEDDT-SJORKVTESA-N 2 2 315.417 0.351 20 30 DCEDLP CC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001569896847 1161306034 /nfs/dbraw/zinc/30/60/34/1161306034.db2.gz NWYKMXIRRHRQTN-DOTOQJQBSA-N 2 2 307.438 0.437 20 30 DCEDLP CC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001569896847 1161306040 /nfs/dbraw/zinc/30/60/40/1161306040.db2.gz NWYKMXIRRHRQTN-DOTOQJQBSA-N 2 2 307.438 0.437 20 30 DCEDLP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001569896847 1161306042 /nfs/dbraw/zinc/30/60/42/1161306042.db2.gz NWYKMXIRRHRQTN-DOTOQJQBSA-N 2 2 307.438 0.437 20 30 DCEDLP CC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001569896847 1161306049 /nfs/dbraw/zinc/30/60/49/1161306049.db2.gz NWYKMXIRRHRQTN-DOTOQJQBSA-N 2 2 307.438 0.437 20 30 DCEDLP C[C@H]1C[NH+]=C(NCc2ccccc2OCC[NH+]2CCOCC2)N1 ZINC000262635713 533990419 /nfs/dbraw/zinc/99/04/19/533990419.db2.gz GTAQUVJIHBORSO-AWEZNQCLSA-N 2 2 318.421 0.835 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC000998293390 665431486 /nfs/dbraw/zinc/43/14/86/665431486.db2.gz FQSNNZABFHEWCI-VXGBXAGGSA-N 2 2 314.311 0.954 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971819063 657764772 /nfs/dbraw/zinc/76/47/72/657764772.db2.gz VBCWXTSKXDHYKB-UONOGXRCSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000971819063 657764783 /nfs/dbraw/zinc/76/47/83/657764783.db2.gz VBCWXTSKXDHYKB-UONOGXRCSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971819063 657764788 /nfs/dbraw/zinc/76/47/88/657764788.db2.gz VBCWXTSKXDHYKB-UONOGXRCSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC000971819063 657764797 /nfs/dbraw/zinc/76/47/97/657764797.db2.gz VBCWXTSKXDHYKB-UONOGXRCSA-N 2 2 300.406 0.989 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001022591325 658155931 /nfs/dbraw/zinc/15/59/31/658155931.db2.gz WFIYOOILABAUPN-IJEWVQPXSA-N 2 2 305.422 0.500 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001022591325 658155935 /nfs/dbraw/zinc/15/59/35/658155935.db2.gz WFIYOOILABAUPN-IJEWVQPXSA-N 2 2 305.422 0.500 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972682567 658239236 /nfs/dbraw/zinc/23/92/36/658239236.db2.gz GRVNNMKCSZTOIA-KRWDZBQOSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972682567 658239241 /nfs/dbraw/zinc/23/92/41/658239241.db2.gz GRVNNMKCSZTOIA-KRWDZBQOSA-N 2 2 316.405 0.518 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969996321 658328610 /nfs/dbraw/zinc/32/86/10/658328610.db2.gz IFVUVNIFGUPCTQ-ZIAGYGMSSA-N 2 2 300.406 0.905 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972361672 658622738 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CC#CC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031839751 665621198 /nfs/dbraw/zinc/62/11/98/665621198.db2.gz NZGFWCITCKTZTJ-UHFFFAOYSA-N 2 2 309.373 0.952 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CCCC)C1 ZINC000999793499 665684301 /nfs/dbraw/zinc/68/43/01/665684301.db2.gz QNSZCSASTJLGTF-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CCCC)C1 ZINC000999793499 665684304 /nfs/dbraw/zinc/68/43/04/665684304.db2.gz QNSZCSASTJLGTF-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001031876534 665725287 /nfs/dbraw/zinc/72/52/87/665725287.db2.gz WCRHSJTUCQXPAZ-KRWDZBQOSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CCC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876534 665725290 /nfs/dbraw/zinc/72/52/90/665725290.db2.gz WCRHSJTUCQXPAZ-KRWDZBQOSA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC000949153811 661316782 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20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001035366749 667306886 /nfs/dbraw/zinc/30/68/86/667306886.db2.gz QTOPMKOKMMKOJG-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035366749 667306888 /nfs/dbraw/zinc/30/68/88/667306888.db2.gz QTOPMKOKMMKOJG-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035366749 667306890 /nfs/dbraw/zinc/30/68/90/667306890.db2.gz QTOPMKOKMMKOJG-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035366749 667306892 /nfs/dbraw/zinc/30/68/92/667306892.db2.gz QTOPMKOKMMKOJG-HOTGVXAUSA-N 2 2 307.438 0.700 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001035414406 667337298 /nfs/dbraw/zinc/33/72/98/667337298.db2.gz PPGHKLBBYOSTJN-GOEBONIOSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001035414406 667337300 /nfs/dbraw/zinc/33/73/00/667337300.db2.gz PPGHKLBBYOSTJN-GOEBONIOSA-N 2 2 318.421 0.839 20 30 DCEDLP C[C@H]([C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCOCC1 ZINC000884212327 667500701 /nfs/dbraw/zinc/50/07/01/667500701.db2.gz BTNWTFBKWBOLHF-ZHAKLFTISA-N 2 2 320.437 0.351 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000884227169 667504079 /nfs/dbraw/zinc/50/40/79/667504079.db2.gz JVPBQRICBKPHLA-GJZGRUSLSA-N 2 2 323.437 0.767 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000884239606 667507854 /nfs/dbraw/zinc/50/78/54/667507854.db2.gz XPCKPIKPGQWJFI-KBPBESRZSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000923564021 667565483 /nfs/dbraw/zinc/56/54/83/667565483.db2.gz NBAIVDRUJDJPIL-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000923564021 667565485 /nfs/dbraw/zinc/56/54/85/667565485.db2.gz NBAIVDRUJDJPIL-INIZCTEOSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000923575915 667568979 /nfs/dbraw/zinc/56/89/79/667568979.db2.gz GGZFBAHFYYFEFV-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000923575915 667568980 /nfs/dbraw/zinc/56/89/80/667568980.db2.gz GGZFBAHFYYFEFV-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(CC)CC2)C1 ZINC000923575915 667568983 /nfs/dbraw/zinc/56/89/83/667568983.db2.gz GGZFBAHFYYFEFV-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(CC)CC2)C1 ZINC000923575915 667568986 /nfs/dbraw/zinc/56/89/86/667568986.db2.gz GGZFBAHFYYFEFV-MRXNPFEDSA-N 2 2 306.454 0.228 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000890378087 668125104 /nfs/dbraw/zinc/12/51/04/668125104.db2.gz UHEPJABIEPHCTJ-HNNXBMFYSA-N 2 2 308.426 0.058 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CCOC)CC2)C1 ZINC000890378087 668125108 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DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690780966 1177324804 /nfs/dbraw/zinc/32/48/04/1177324804.db2.gz NMQPUAJJEXUYQL-STQMWFEESA-N 2 2 319.409 0.271 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001699411014 1178125373 /nfs/dbraw/zinc/12/53/73/1178125373.db2.gz ZJIORDDKGAQPRJ-KBPBESRZSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC=C(C)C)C1 ZINC001699895642 1178342414 /nfs/dbraw/zinc/34/24/14/1178342414.db2.gz BNXCZEOUZXIVHL-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC=C(C)C)C1 ZINC001699895642 1178342420 /nfs/dbraw/zinc/34/24/20/1178342420.db2.gz BNXCZEOUZXIVHL-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC=C(C)C)C1 ZINC001699895642 1178342428 /nfs/dbraw/zinc/34/24/28/1178342428.db2.gz BNXCZEOUZXIVHL-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC=C(C)C)C1 ZINC001699895642 1178342434 /nfs/dbraw/zinc/34/24/34/1178342434.db2.gz BNXCZEOUZXIVHL-WMZOPIPTSA-N 2 2 319.449 0.603 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CCO1 ZINC001700155343 1178502318 /nfs/dbraw/zinc/50/23/18/1178502318.db2.gz RBPUUJABVHHEEE-AWEZNQCLSA-N 2 2 320.393 0.190 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001700260739 1178559164 /nfs/dbraw/zinc/55/91/64/1178559164.db2.gz QCSOERJAQVMDMF-DZGCQCFKSA-N 2 2 304.394 0.429 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001700260739 1178559167 /nfs/dbraw/zinc/55/91/67/1178559167.db2.gz QCSOERJAQVMDMF-DZGCQCFKSA-N 2 2 304.394 0.429 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001700607231 1178678060 /nfs/dbraw/zinc/67/80/60/1178678060.db2.gz JZDBVVXBELQBEN-HIFRSBDPSA-N 2 2 304.394 0.191 20 30 DCEDLP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001700715383 1178719953 /nfs/dbraw/zinc/71/99/53/1178719953.db2.gz PYJOBUMZESZWDC-HNNXBMFYSA-N 2 2 318.421 0.581 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001707059319 1180406589 /nfs/dbraw/zinc/40/65/89/1180406589.db2.gz FKUSUKHWLHWLEU-AWEZNQCLSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001707059319 1180406595 /nfs/dbraw/zinc/40/65/95/1180406595.db2.gz FKUSUKHWLHWLEU-AWEZNQCLSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001707059319 1180406598 /nfs/dbraw/zinc/40/65/98/1180406598.db2.gz FKUSUKHWLHWLEU-AWEZNQCLSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001707059319 1180406605 /nfs/dbraw/zinc/40/66/05/1180406605.db2.gz FKUSUKHWLHWLEU-AWEZNQCLSA-N 2 2 310.442 0.162 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001713359634 1180785607 /nfs/dbraw/zinc/78/56/07/1180785607.db2.gz YTYCNLRDJVKKMC-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001713745165 1181039510 /nfs/dbraw/zinc/03/95/10/1181039510.db2.gz WKNRNRKQUDDEEF-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001713745165 1181039519 /nfs/dbraw/zinc/03/95/19/1181039519.db2.gz WKNRNRKQUDDEEF-KRWDZBQOSA-N 2 2 320.481 0.570 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001714573129 1181423792 /nfs/dbraw/zinc/42/37/92/1181423792.db2.gz UCIROZHNIXNBKE-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714573129 1181423794 /nfs/dbraw/zinc/42/37/94/1181423794.db2.gz UCIROZHNIXNBKE-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001714573129 1181423795 /nfs/dbraw/zinc/42/37/95/1181423795.db2.gz UCIROZHNIXNBKE-CQSZACIVSA-N 2 2 310.442 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001714573129 1181423797 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30 DCEDLP COCC#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001715866031 1182061382 /nfs/dbraw/zinc/06/13/82/1182061382.db2.gz GWBPBUKQCHXLER-UHFFFAOYSA-N 2 2 320.437 0.967 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001716402004 1182375652 /nfs/dbraw/zinc/37/56/52/1182375652.db2.gz ZJIORDDKGAQPRJ-KGLIPLIRSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCCO)CC1 ZINC001716811047 1182533659 /nfs/dbraw/zinc/53/36/59/1182533659.db2.gz LYKODQLLYXMWQU-UHFFFAOYSA-N 2 2 318.421 0.271 20 30 DCEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001717257526 1182752776 /nfs/dbraw/zinc/75/27/76/1182752776.db2.gz GBOOYELSVZHTGJ-YOEHRIQHSA-N 2 2 318.421 0.555 20 30 DCEDLP C#CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC001717266188 1182758122 /nfs/dbraw/zinc/75/81/22/1182758122.db2.gz RUQDUERMUSWUTL-UHFFFAOYSA-N 2 2 312.373 0.836 20 30 DCEDLP C=C(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001717920681 1183061887 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DCEDLP C=CCC[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001724407901 1184434196 /nfs/dbraw/zinc/43/41/96/1184434196.db2.gz XDMGJBZVYFQZQR-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001724407901 1184434201 /nfs/dbraw/zinc/43/42/01/1184434201.db2.gz XDMGJBZVYFQZQR-INIZCTEOSA-N 2 2 306.410 0.482 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001724819464 1184573905 /nfs/dbraw/zinc/57/39/05/1184573905.db2.gz GVEPJMPTIZRFDZ-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001724819464 1184573910 /nfs/dbraw/zinc/57/39/10/1184573910.db2.gz GVEPJMPTIZRFDZ-UKRRQHHQSA-N 2 2 306.410 0.981 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001725067494 1184674545 /nfs/dbraw/zinc/67/45/45/1184674545.db2.gz NURMHQHYPKNWAJ-UHFFFAOYSA-N 2 2 318.421 0.487 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001725361612 1184787128 /nfs/dbraw/zinc/78/71/28/1184787128.db2.gz XZARFARPPMCNBA-KBUPBQIOSA-N 2 2 316.405 0.647 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001725361612 1184787132 /nfs/dbraw/zinc/78/71/32/1184787132.db2.gz XZARFARPPMCNBA-KBUPBQIOSA-N 2 2 316.405 0.647 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001731447183 1185337789 /nfs/dbraw/zinc/33/77/89/1185337789.db2.gz RRSVHBKABAOQAU-KKUMJFAQSA-N 2 2 316.405 0.332 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001733260121 1186206381 /nfs/dbraw/zinc/20/63/81/1186206381.db2.gz JWNXWNXUOJTWLE-CYBMUJFWSA-N 2 2 304.394 0.477 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001733830079 1186466041 /nfs/dbraw/zinc/46/60/41/1186466041.db2.gz KTQKXQBPMCROIR-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP CC#CC[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001733830079 1186466046 /nfs/dbraw/zinc/46/60/46/1186466046.db2.gz KTQKXQBPMCROIR-UHFFFAOYSA-N 2 2 304.394 0.621 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001733984205 1186515472 /nfs/dbraw/zinc/51/54/72/1186515472.db2.gz QCJLVOULDIUKDB-UONOGXRCSA-N 2 2 306.410 0.485 20 30 DCEDLP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001734024655 1186522814 /nfs/dbraw/zinc/52/28/14/1186522814.db2.gz ZBNQQEHKCMZRDY-UHFFFAOYSA-N 2 2 320.437 0.687 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001734542325 1186685056 /nfs/dbraw/zinc/68/50/56/1186685056.db2.gz NRJCTGIAUFIBES-UKRRQHHQSA-N 2 2 306.410 0.363 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001734542325 1186685060 /nfs/dbraw/zinc/68/50/60/1186685060.db2.gz NRJCTGIAUFIBES-UKRRQHHQSA-N 2 2 306.410 0.363 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001734542325 1186685062 /nfs/dbraw/zinc/68/50/62/1186685062.db2.gz NRJCTGIAUFIBES-UKRRQHHQSA-N 2 2 306.410 0.363 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001734542325 1186685067 /nfs/dbraw/zinc/68/50/67/1186685067.db2.gz NRJCTGIAUFIBES-UKRRQHHQSA-N 2 2 306.410 0.363 20 30 DCEDLP CC#CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCOC ZINC001734578016 1186694212 /nfs/dbraw/zinc/69/42/12/1186694212.db2.gz HEEFBPRURHSIMD-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP CC#CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCOC ZINC001734578016 1186694219 /nfs/dbraw/zinc/69/42/19/1186694219.db2.gz HEEFBPRURHSIMD-HUUCEWRRSA-N 2 2 318.421 0.612 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752840817 1188449435 /nfs/dbraw/zinc/44/94/35/1188449435.db2.gz MGGVWBSLCLRDTK-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752840817 1188449436 /nfs/dbraw/zinc/44/94/36/1188449436.db2.gz MGGVWBSLCLRDTK-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2csnn2)CC1 ZINC001753265564 1188553565 /nfs/dbraw/zinc/55/35/65/1188553565.db2.gz FZGXVBREBLCILT-UHFFFAOYSA-N 2 2 321.450 0.431 20 30 DCEDLP C=C(C)C[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001753343474 1188568908 /nfs/dbraw/zinc/56/89/08/1188568908.db2.gz QUAKNKCPPRPLSU-UHFFFAOYSA-N 2 2 305.426 0.604 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001754180522 1188773723 /nfs/dbraw/zinc/77/37/23/1188773723.db2.gz DQMBQWHUYZMNID-NQHOJNORSA-N 2 2 304.394 0.500 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754330660 1188823908 /nfs/dbraw/zinc/82/39/08/1188823908.db2.gz KGJKLCLSSIVVBW-CHWSQXEVSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754330660 1188823913 /nfs/dbraw/zinc/82/39/13/1188823913.db2.gz KGJKLCLSSIVVBW-CHWSQXEVSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001754492824 1188866902 /nfs/dbraw/zinc/86/69/02/1188866902.db2.gz LKHABYYBSBCBPH-ZFWWWQNUSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001754492824 1188866903 /nfs/dbraw/zinc/86/69/03/1188866903.db2.gz LKHABYYBSBCBPH-ZFWWWQNUSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]Cc3ccon3)CC2)CC1 ZINC001754535671 1188875849 /nfs/dbraw/zinc/87/58/49/1188875849.db2.gz MXTCPSAUBGYEBK-UHFFFAOYSA-N 2 2 316.405 0.758 20 30 DCEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001754760634 1188926257 /nfs/dbraw/zinc/92/62/57/1188926257.db2.gz QUABNXQZYHGBSZ-XJKSGUPXSA-N 2 2 306.410 0.860 20 30 DCEDLP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001754760634 1188926260 /nfs/dbraw/zinc/92/62/60/1188926260.db2.gz QUABNXQZYHGBSZ-XJKSGUPXSA-N 2 2 306.410 0.860 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001755003006 1188992131 /nfs/dbraw/zinc/99/21/31/1188992131.db2.gz DKBVTIDABJTFBQ-BFHYXJOUSA-N 2 2 302.378 0.354 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001755003006 1188992132 /nfs/dbraw/zinc/99/21/32/1188992132.db2.gz DKBVTIDABJTFBQ-BFHYXJOUSA-N 2 2 302.378 0.354 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089623408 751490808 /nfs/dbraw/zinc/49/08/08/751490808.db2.gz BNOVAOBKBCEBEN-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089623408 751490813 /nfs/dbraw/zinc/49/08/13/751490813.db2.gz BNOVAOBKBCEBEN-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623408 751490818 /nfs/dbraw/zinc/49/08/18/751490818.db2.gz BNOVAOBKBCEBEN-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089623408 751490822 /nfs/dbraw/zinc/49/08/22/751490822.db2.gz BNOVAOBKBCEBEN-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)CCC)nn2)C1 ZINC001107231299 751961885 /nfs/dbraw/zinc/96/18/85/751961885.db2.gz GOHJMYFLHSKOMN-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)CCC)nn2)C1 ZINC001107231299 751961894 /nfs/dbraw/zinc/96/18/94/751961894.db2.gz GOHJMYFLHSKOMN-UHFFFAOYSA-N 2 2 318.425 0.116 20 30 DCEDLP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167334445 747108396 /nfs/dbraw/zinc/10/83/96/747108396.db2.gz SMSCAZNRFRKDSG-UHFFFAOYSA-N 2 2 319.409 0.131 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728895 747843594 /nfs/dbraw/zinc/84/35/94/747843594.db2.gz GGRJMIONIMINCS-HUUCEWRRSA-N 2 2 318.421 0.676 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+](C)C(C)C)C2)nn1 ZINC001105377194 748709181 /nfs/dbraw/zinc/70/91/81/748709181.db2.gz UCYPIJMFHFIFII-UHFFFAOYSA-N 2 2 318.425 0.115 20 30 DCEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C(C)C)C2)nn1 ZINC001105377194 748709184 /nfs/dbraw/zinc/70/91/84/748709184.db2.gz UCYPIJMFHFIFII-UHFFFAOYSA-N 2 2 318.425 0.115 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001112183338 749304954 /nfs/dbraw/zinc/30/49/54/749304954.db2.gz FDOOTXZDSFYWPU-GHMZBOCLSA-N 2 2 314.311 0.954 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494363 750981018 /nfs/dbraw/zinc/98/10/18/750981018.db2.gz OHAXROVSDKGSSF-UHFFFAOYSA-N 2 2 319.409 0.143 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083719016 751030934 /nfs/dbraw/zinc/03/09/34/751030934.db2.gz LGMYDRTVKAKVAM-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083719016 751030941 /nfs/dbraw/zinc/03/09/41/751030941.db2.gz LGMYDRTVKAKVAM-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719016 751030946 /nfs/dbraw/zinc/03/09/46/751030946.db2.gz LGMYDRTVKAKVAM-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719016 751030952 /nfs/dbraw/zinc/03/09/52/751030952.db2.gz LGMYDRTVKAKVAM-ZACQAIPSSA-N 2 2 319.449 0.578 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](CC(C)C)CCO1 ZINC001108004554 752899952 /nfs/dbraw/zinc/89/99/52/752899952.db2.gz XDSASCJSXAAZKX-FUHWJXTLSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CC(C)C)CCO1 ZINC001108004554 752899956 /nfs/dbraw/zinc/89/99/56/752899956.db2.gz XDSASCJSXAAZKX-FUHWJXTLSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](CC(C)C)CCO1 ZINC001108004554 752899965 /nfs/dbraw/zinc/89/99/65/752899965.db2.gz XDSASCJSXAAZKX-FUHWJXTLSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049686 753448127 /nfs/dbraw/zinc/44/81/27/753448127.db2.gz VJVJUXJACYUSOS-INIZCTEOSA-N 2 2 317.437 0.678 20 30 DCEDLP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001046049686 753448129 /nfs/dbraw/zinc/44/81/29/753448129.db2.gz VJVJUXJACYUSOS-INIZCTEOSA-N 2 2 317.437 0.678 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045073361 754264358 /nfs/dbraw/zinc/26/43/58/754264358.db2.gz DDOQDELVRLHGOD-GJZGRUSLSA-N 2 2 317.393 0.248 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1cnon1 ZINC001045073361 754264367 /nfs/dbraw/zinc/26/43/67/754264367.db2.gz DDOQDELVRLHGOD-GJZGRUSLSA-N 2 2 317.393 0.248 20 30 DCEDLP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226107 755192263 /nfs/dbraw/zinc/19/22/63/755192263.db2.gz GYXYIVZAAQZMNW-IXDOHACOSA-N 2 2 319.449 0.673 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCOCC3)C[C@H]2C1 ZINC001049226107 755192265 /nfs/dbraw/zinc/19/22/65/755192265.db2.gz GYXYIVZAAQZMNW-IXDOHACOSA-N 2 2 319.449 0.673 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090356348 755667763 /nfs/dbraw/zinc/66/77/63/755667763.db2.gz WBWWWPOESYIPMB-ZIAGYGMSSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090356348 755667766 /nfs/dbraw/zinc/66/77/66/755667766.db2.gz WBWWWPOESYIPMB-ZIAGYGMSSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806792 756215687 /nfs/dbraw/zinc/21/56/87/756215687.db2.gz RCNLCHHNJYHGRQ-RBSFLKMASA-N 2 2 305.422 0.309 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806792 756215691 /nfs/dbraw/zinc/21/56/91/756215691.db2.gz RCNLCHHNJYHGRQ-RBSFLKMASA-N 2 2 305.422 0.309 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053926094 756282452 /nfs/dbraw/zinc/28/24/52/756282452.db2.gz VUVSFQZSXASVBM-GJZGRUSLSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053926094 756282454 /nfs/dbraw/zinc/28/24/54/756282454.db2.gz VUVSFQZSXASVBM-GJZGRUSLSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982119 756313269 /nfs/dbraw/zinc/31/32/69/756313269.db2.gz DHPCIKKACKECHP-HUUCEWRRSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982119 756313272 /nfs/dbraw/zinc/31/32/72/756313272.db2.gz DHPCIKKACKECHP-HUUCEWRRSA-N 2 2 305.422 0.311 20 30 DCEDLP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090377698 757234285 /nfs/dbraw/zinc/23/42/85/757234285.db2.gz LULHCCSGCKMBEZ-TZMCWYRMSA-N 2 2 308.382 0.087 20 30 DCEDLP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](O)C1 ZINC001090377698 757234289 /nfs/dbraw/zinc/23/42/89/757234289.db2.gz LULHCCSGCKMBEZ-TZMCWYRMSA-N 2 2 308.382 0.087 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084091064 757670394 /nfs/dbraw/zinc/67/03/94/757670394.db2.gz XBCMLLVOQWHSAN-SJORKVTESA-N 2 2 315.417 0.546 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084091064 757670400 /nfs/dbraw/zinc/67/04/00/757670400.db2.gz 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304.394 0.675 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC12CCOCC2 ZINC001186569035 772056825 /nfs/dbraw/zinc/05/68/25/772056825.db2.gz GJYNRQYPVBJIJL-OAHLLOKOSA-N 2 2 316.405 0.361 20 30 DCEDLP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161308469 772200528 /nfs/dbraw/zinc/20/05/28/772200528.db2.gz AOZIUHOKPZNCJH-AWEZNQCLSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CC[C@]1(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]1 ZINC001161378252 772213354 /nfs/dbraw/zinc/21/33/54/772213354.db2.gz LAKQESWQJRQPMT-NVXWUHKLSA-N 3 2 304.438 0.156 20 30 DCEDLP C=CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)(COC)CC1 ZINC001162629287 772400608 /nfs/dbraw/zinc/40/06/08/772400608.db2.gz TWBYQVQHEWYPMB-UHFFFAOYSA-N 2 2 306.410 0.914 20 30 DCEDLP N#CCc1cc[nH+]c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001165341269 772724351 /nfs/dbraw/zinc/72/43/51/772724351.db2.gz JKSRQEYADSNVET-MRXNPFEDSA-N 2 2 302.378 0.733 20 30 DCEDLP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001165819716 772764882 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NOZFVQZBCQOORB-BZUAXINKSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709082 773278063 /nfs/dbraw/zinc/27/80/63/773278063.db2.gz NOZFVQZBCQOORB-BZUAXINKSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207709082 773278070 /nfs/dbraw/zinc/27/80/70/773278070.db2.gz NOZFVQZBCQOORB-BZUAXINKSA-N 2 2 307.438 0.557 20 30 DCEDLP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207709082 773278075 /nfs/dbraw/zinc/27/80/75/773278075.db2.gz NOZFVQZBCQOORB-BZUAXINKSA-N 2 2 307.438 0.557 20 30 DCEDLP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001211187399 773780034 /nfs/dbraw/zinc/78/00/34/773780034.db2.gz JJWIPHQAOGWDQM-DLBZAZTESA-N 2 2 319.449 0.701 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127466 774033327 /nfs/dbraw/zinc/03/33/27/774033327.db2.gz DKOXSHUJRRETOJ-BZUAXINKSA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001199127466 774033333 /nfs/dbraw/zinc/03/33/33/774033333.db2.gz DKOXSHUJRRETOJ-BZUAXINKSA-N 2 2 307.438 0.291 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CCCC)C[C@H]1C ZINC001215226709 774050921 /nfs/dbraw/zinc/05/09/21/774050921.db2.gz QMNRUYZFDMXWBY-ZACQAIPSSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CCCC)C[C@H]1C ZINC001215226709 774050927 /nfs/dbraw/zinc/05/09/27/774050927.db2.gz QMNRUYZFDMXWBY-ZACQAIPSSA-N 2 2 321.465 0.947 20 30 DCEDLP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC001217595366 774187048 /nfs/dbraw/zinc/18/70/48/774187048.db2.gz NXUINXMPMRSOTG-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC001217595366 774187051 /nfs/dbraw/zinc/18/70/51/774187051.db2.gz NXUINXMPMRSOTG-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595366 774187053 /nfs/dbraw/zinc/18/70/53/774187053.db2.gz NXUINXMPMRSOTG-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@H]2C1 ZINC001217595366 774187056 /nfs/dbraw/zinc/18/70/56/774187056.db2.gz NXUINXMPMRSOTG-ARFHVFGLSA-N 2 2 323.437 0.195 20 30 DCEDLP N#Cc1cc2cccnc2nc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218541424 774241565 /nfs/dbraw/zinc/24/15/65/774241565.db2.gz GAXFXCNEWPDAMH-UHFFFAOYSA-N 2 2 310.361 0.782 20 30 DCEDLP N#Cc1c(NC(=O)C[NH2+]C2CC[NH2+]CC2)sc2c1CC[NH2+]C2 ZINC001218552208 774244893 /nfs/dbraw/zinc/24/48/93/774244893.db2.gz CQZNVPRDRYZVEJ-UHFFFAOYSA-N 3 2 319.434 0.546 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201855560 774557835 /nfs/dbraw/zinc/55/78/35/774557835.db2.gz CPBRHKADIXLBCK-OAHLLOKOSA-N 2 2 304.394 0.193 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114387019 774827677 /nfs/dbraw/zinc/82/76/77/774827677.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 2 304.394 0.591 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114387019 774827684 /nfs/dbraw/zinc/82/76/84/774827684.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 2 304.394 0.591 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114387019 774827691 /nfs/dbraw/zinc/82/76/91/774827691.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 2 304.394 0.591 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114387019 774827695 /nfs/dbraw/zinc/82/76/95/774827695.db2.gz HWIGHOIXQLTJCJ-FOLVSLTJSA-N 2 2 304.394 0.591 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520081 774834306 /nfs/dbraw/zinc/83/43/06/774834306.db2.gz LUJXETGWDMVTSG-CFVMTHIKSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520081 774834314 /nfs/dbraw/zinc/83/43/14/774834314.db2.gz LUJXETGWDMVTSG-CFVMTHIKSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520081 774834323 /nfs/dbraw/zinc/83/43/23/774834323.db2.gz LUJXETGWDMVTSG-CFVMTHIKSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520081 774834332 /nfs/dbraw/zinc/83/43/32/774834332.db2.gz LUJXETGWDMVTSG-CFVMTHIKSA-N 2 2 306.410 0.716 20 30 DCEDLP C=C[C@@H]1C[C@]1(NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(=O)OCC ZINC001220573264 774848957 /nfs/dbraw/zinc/84/89/57/774848957.db2.gz JOVBNYYAFJZSGD-CKEIUWERSA-N 2 2 317.389 0.883 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091156 774993213 /nfs/dbraw/zinc/99/32/13/774993213.db2.gz DKOXSHUJRRETOJ-PMPSAXMXSA-N 2 2 307.438 0.291 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096689 774995402 /nfs/dbraw/zinc/99/54/02/774995402.db2.gz XGYFGQAGRVBTBI-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096689 774995405 /nfs/dbraw/zinc/99/54/05/774995405.db2.gz XGYFGQAGRVBTBI-OWCLPIDISA-N 2 2 307.438 0.291 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016465 775247834 /nfs/dbraw/zinc/24/78/34/775247834.db2.gz KXEFCKRBPVFYBI-HZPDHXFCSA-N 2 2 305.422 0.265 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016465 775247841 /nfs/dbraw/zinc/24/78/41/775247841.db2.gz KXEFCKRBPVFYBI-HZPDHXFCSA-N 2 2 305.422 0.265 20 30 DCEDLP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111308951 775727394 /nfs/dbraw/zinc/72/73/94/775727394.db2.gz FRHVYSZRWPKYGB-KFWWJZLASA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111308951 775727412 /nfs/dbraw/zinc/72/74/12/775727412.db2.gz FRHVYSZRWPKYGB-KFWWJZLASA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111308951 775727415 /nfs/dbraw/zinc/72/74/15/775727415.db2.gz FRHVYSZRWPKYGB-KFWWJZLASA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCOCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230036023 776246009 /nfs/dbraw/zinc/24/60/09/776246009.db2.gz ZNUCRSWXZZPHHM-UHFFFAOYSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438384 776305513 /nfs/dbraw/zinc/30/55/13/776305513.db2.gz MNZAEFALKZEHKY-ZDUSSCGKSA-N 2 2 319.409 0.154 20 30 DCEDLP C=C(C)CC[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001317822521 945195849 /nfs/dbraw/zinc/19/58/49/945195849.db2.gz GUVDNDWRMMXTSI-UHFFFAOYSA-N 2 2 319.453 0.994 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001278286418 945208593 /nfs/dbraw/zinc/20/85/93/945208593.db2.gz VFIZDYJLDFDUSE-LSDHHAIUSA-N 2 2 304.394 0.502 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001266284686 939047213 /nfs/dbraw/zinc/04/72/13/939047213.db2.gz HKUVGVCDGGHMNE-HNNXBMFYSA-N 2 2 303.410 0.066 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001266284686 939047215 /nfs/dbraw/zinc/04/72/15/939047215.db2.gz HKUVGVCDGGHMNE-HNNXBMFYSA-N 2 2 303.410 0.066 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cnn(C)c1 ZINC001266284686 939047218 /nfs/dbraw/zinc/04/72/18/939047218.db2.gz HKUVGVCDGGHMNE-HNNXBMFYSA-N 2 2 303.410 0.066 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cnn(C)c1 ZINC001266284686 939047221 /nfs/dbraw/zinc/04/72/21/939047221.db2.gz HKUVGVCDGGHMNE-HNNXBMFYSA-N 2 2 303.410 0.066 20 30 DCEDLP CC#CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001480904795 939287921 /nfs/dbraw/zinc/28/79/21/939287921.db2.gz LMMHSKXPDTZLPP-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001480904795 939287923 /nfs/dbraw/zinc/28/79/23/939287923.db2.gz LMMHSKXPDTZLPP-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001480904795 939287925 /nfs/dbraw/zinc/28/79/25/939287925.db2.gz LMMHSKXPDTZLPP-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP CC#CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001480904795 939287927 /nfs/dbraw/zinc/28/79/27/939287927.db2.gz LMMHSKXPDTZLPP-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267062432 939328025 /nfs/dbraw/zinc/32/80/25/939328025.db2.gz YLMVMLAVAHKRRJ-CABCVRRESA-N 2 2 318.421 0.676 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267062432 939328028 /nfs/dbraw/zinc/32/80/28/939328028.db2.gz YLMVMLAVAHKRRJ-CABCVRRESA-N 2 2 318.421 0.676 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC ZINC001267410461 939449950 /nfs/dbraw/zinc/44/99/50/939449950.db2.gz QMSXVHMAMIFVBI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC ZINC001267410461 939449951 /nfs/dbraw/zinc/44/99/51/939449951.db2.gz QMSXVHMAMIFVBI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001267410461 939449952 /nfs/dbraw/zinc/44/99/52/939449952.db2.gz QMSXVHMAMIFVBI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCOC ZINC001267410461 939449953 /nfs/dbraw/zinc/44/99/53/939449953.db2.gz QMSXVHMAMIFVBI-BBWFWOEESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2ncc(C)o2)CC1 ZINC001481319735 939746444 /nfs/dbraw/zinc/74/64/44/939746444.db2.gz LYJYIBZZJGDGSL-UHFFFAOYSA-N 2 2 318.421 0.876 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001268283119 940018163 /nfs/dbraw/zinc/01/81/63/940018163.db2.gz YHIDOBXCLISHKJ-ZBFHGGJFSA-N 2 2 318.421 0.867 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001268283119 940018168 /nfs/dbraw/zinc/01/81/68/940018168.db2.gz YHIDOBXCLISHKJ-ZBFHGGJFSA-N 2 2 318.421 0.867 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001481692576 940044066 /nfs/dbraw/zinc/04/40/66/940044066.db2.gz WAKJRKOITBOAHS-KKUMJFAQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001481692576 940044068 /nfs/dbraw/zinc/04/40/68/940044068.db2.gz WAKJRKOITBOAHS-KKUMJFAQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481692576 940044071 /nfs/dbraw/zinc/04/40/71/940044071.db2.gz WAKJRKOITBOAHS-KKUMJFAQSA-N 2 2 322.453 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001481692576 940044072 /nfs/dbraw/zinc/04/40/72/940044072.db2.gz WAKJRKOITBOAHS-KKUMJFAQSA-N 2 2 322.453 0.209 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOCC=C)C1 ZINC001318411716 945351932 /nfs/dbraw/zinc/35/19/32/945351932.db2.gz FGGPOGSYECIRTK-IRXDYDNUSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOCC=C)C1 ZINC001318411716 945351945 /nfs/dbraw/zinc/35/19/45/945351945.db2.gz FGGPOGSYECIRTK-IRXDYDNUSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOCC=C)C1 ZINC001318411716 945351957 /nfs/dbraw/zinc/35/19/57/945351957.db2.gz FGGPOGSYECIRTK-IRXDYDNUSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOCC=C)C1 ZINC001318411716 945351970 /nfs/dbraw/zinc/35/19/70/945351970.db2.gz FGGPOGSYECIRTK-IRXDYDNUSA-N 2 2 319.449 0.819 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccn1C ZINC001270994144 941236980 /nfs/dbraw/zinc/23/69/80/941236980.db2.gz BJHNDIGHPFQCKM-GJZGRUSLSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1nccn1C ZINC001270994144 941236983 /nfs/dbraw/zinc/23/69/83/941236983.db2.gz BJHNDIGHPFQCKM-GJZGRUSLSA-N 2 2 317.437 0.454 20 30 DCEDLP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271996425 941503218 /nfs/dbraw/zinc/50/32/18/941503218.db2.gz MIDRUIZCDYQZFK-MRXNPFEDSA-N 2 2 306.410 0.780 20 30 DCEDLP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271996425 941503220 /nfs/dbraw/zinc/50/32/20/941503220.db2.gz MIDRUIZCDYQZFK-MRXNPFEDSA-N 2 2 306.410 0.780 20 30 DCEDLP C#CC[N@@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001482598962 941578197 /nfs/dbraw/zinc/57/81/97/941578197.db2.gz YHJKVSNUJJZLIR-OAHLLOKOSA-N 2 2 303.410 0.813 20 30 DCEDLP C#CC[N@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001482598962 941578199 /nfs/dbraw/zinc/57/81/99/941578199.db2.gz YHJKVSNUJJZLIR-OAHLLOKOSA-N 2 2 303.410 0.813 20 30 DCEDLP C#CC[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001482598962 941578201 /nfs/dbraw/zinc/57/82/01/941578201.db2.gz YHJKVSNUJJZLIR-OAHLLOKOSA-N 2 2 303.410 0.813 20 30 DCEDLP C#CC[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001482598962 941578203 /nfs/dbraw/zinc/57/82/03/941578203.db2.gz YHJKVSNUJJZLIR-OAHLLOKOSA-N 2 2 303.410 0.813 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnoc2C)CC1 ZINC001483743078 942844514 /nfs/dbraw/zinc/84/45/14/942844514.db2.gz OWNFUMWNQRJKKW-HNNXBMFYSA-N 2 2 316.405 0.819 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnoc2C)CC1 ZINC001483743078 942844519 /nfs/dbraw/zinc/84/45/19/942844519.db2.gz OWNFUMWNQRJKKW-HNNXBMFYSA-N 2 2 316.405 0.819 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001483786519 942951945 /nfs/dbraw/zinc/95/19/45/942951945.db2.gz AVQBWRCEPTWHMM-GFCCVEGCSA-N 2 2 319.409 0.190 20 30 DCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484527215 943440243 /nfs/dbraw/zinc/44/02/43/943440243.db2.gz LNTNCVLMKBXLFS-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001484695579 943526083 /nfs/dbraw/zinc/52/60/83/943526083.db2.gz GPSQIOAQGVUXPR-OAHLLOKOSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484852538 943597088 /nfs/dbraw/zinc/59/70/88/943597088.db2.gz ZXTYRGRHSKYAAP-GDBMZVCRSA-N 2 2 304.394 0.411 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484999241 943647504 /nfs/dbraw/zinc/64/75/04/943647504.db2.gz NFUMKHZABHULDJ-RRFJBIMHSA-N 2 2 318.421 0.658 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001316983341 944712197 /nfs/dbraw/zinc/71/21/97/944712197.db2.gz WMEICQJXYZMSTD-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001316983341 944712208 /nfs/dbraw/zinc/71/22/08/944712208.db2.gz WMEICQJXYZMSTD-GJZGRUSLSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001486338688 944799251 /nfs/dbraw/zinc/79/92/51/944799251.db2.gz YOUHTVWTCNLBSU-OAHLLOKOSA-N 2 2 320.437 0.699 20 30 DCEDLP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001486338688 944799257 /nfs/dbraw/zinc/79/92/57/944799257.db2.gz YOUHTVWTCNLBSU-OAHLLOKOSA-N 2 2 320.437 0.699 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317254394 944877923 /nfs/dbraw/zinc/87/79/23/944877923.db2.gz MYCIFGSRPTVTFH-ZIAGYGMSSA-N 2 2 304.394 0.190 20 30 DCEDLP C=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486495101 944928134 /nfs/dbraw/zinc/92/81/34/944928134.db2.gz JLHMJIXOJMWOAN-AWEZNQCLSA-N 2 2 306.410 0.696 20 30 DCEDLP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246312988 945380089 /nfs/dbraw/zinc/38/00/89/945380089.db2.gz QDAUCZHJBJYQMN-STQMWFEESA-N 3 2 313.467 0.650 20 30 DCEDLP COCC#CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001318937240 945466500 /nfs/dbraw/zinc/46/65/00/945466500.db2.gz JFIMKPRMXDBMEP-UHFFFAOYSA-N 2 2 318.421 0.751 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001319206583 945520246 /nfs/dbraw/zinc/52/02/46/945520246.db2.gz DLIUKSPWGMUTPU-HUUCEWRRSA-N 2 2 318.421 0.437 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001251858434 945800856 /nfs/dbraw/zinc/80/08/56/945800856.db2.gz YFMKMWNYZOVKAI-CQSZACIVSA-N 2 2 305.378 0.223 20 30 DCEDLP C=C[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001253580872 946134832 /nfs/dbraw/zinc/13/48/32/946134832.db2.gz ABXGOUFDMNSZSF-AWEZNQCLSA-N 2 2 303.410 0.746 20 30 DCEDLP N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001410823852 946994696 /nfs/dbraw/zinc/99/46/96/946994696.db2.gz RCYVVSCEOUWOIX-OAHLLOKOSA-N 2 2 313.361 0.022 20 30 DCEDLP C=CCOCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001327596052 948564650 /nfs/dbraw/zinc/56/46/50/948564650.db2.gz QUSGYCHFYPVEDQ-MRXNPFEDSA-N 2 2 322.409 0.098 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001280647509 948668268 /nfs/dbraw/zinc/66/82/68/948668268.db2.gz FJIOWSAFGSCYJG-DZGCQCFKSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001280647509 948668271 /nfs/dbraw/zinc/66/82/71/948668271.db2.gz FJIOWSAFGSCYJG-DZGCQCFKSA-N 2 2 304.394 0.429 20 30 DCEDLP C=C(C)CN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001328548052 948959455 /nfs/dbraw/zinc/95/94/55/948959455.db2.gz QIOBQZQBYIKGGA-UHFFFAOYSA-N 2 2 324.469 0.505 20 30 DCEDLP C=C(C)CN(C)C(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001328548052 948959470 /nfs/dbraw/zinc/95/94/70/948959470.db2.gz QIOBQZQBYIKGGA-UHFFFAOYSA-N 2 2 324.469 0.505 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH+]cn2C)c1C#N ZINC001328894921 949176608 /nfs/dbraw/zinc/17/66/08/949176608.db2.gz CBGWZNUPRIAEMZ-UHFFFAOYSA-N 2 2 301.354 0.348 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266006063 950250173 /nfs/dbraw/zinc/25/01/73/950250173.db2.gz HNUGBIHMYKVIBZ-GJZGRUSLSA-N 2 2 318.421 0.961 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001490456402 950756320 /nfs/dbraw/zinc/75/63/20/950756320.db2.gz CJKLJRSJRCTFDH-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001490456402 950756337 /nfs/dbraw/zinc/75/63/37/950756337.db2.gz CJKLJRSJRCTFDH-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001490456402 950756341 /nfs/dbraw/zinc/75/63/41/950756341.db2.gz CJKLJRSJRCTFDH-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001490456402 950756358 /nfs/dbraw/zinc/75/63/58/950756358.db2.gz CJKLJRSJRCTFDH-OAHLLOKOSA-N 2 2 322.453 0.048 20 30 DCEDLP C=CCCC[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001490507175 950828431 /nfs/dbraw/zinc/82/84/31/950828431.db2.gz LPBNSOMFJXUJQH-UHFFFAOYSA-N 2 2 305.426 0.652 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccon1)C1CC1 ZINC001490674467 950978500 /nfs/dbraw/zinc/97/85/00/950978500.db2.gz RZSSLHICUDYOQP-CVEARBPZSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccon1)C1CC1 ZINC001490674467 950978514 /nfs/dbraw/zinc/97/85/14/950978514.db2.gz RZSSLHICUDYOQP-CVEARBPZSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001280609647 950981422 /nfs/dbraw/zinc/98/14/22/950981422.db2.gz NBFPARHWEDKADT-CQSZACIVSA-N 2 2 312.373 0.788 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001490723393 951035342 /nfs/dbraw/zinc/03/53/42/951035342.db2.gz NRDOYZDLPYIEKK-BBRMVZONSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001490723393 951035358 /nfs/dbraw/zinc/03/53/58/951035358.db2.gz NRDOYZDLPYIEKK-BBRMVZONSA-N 2 2 318.421 0.723 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001274279719 951533868 /nfs/dbraw/zinc/53/38/68/951533868.db2.gz HMJLKMAAHNMPAQ-KGLIPLIRSA-N 2 2 318.421 0.774 20 30 DCEDLP C#CC[NH+]1CCC(CO)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001274941528 951897649 /nfs/dbraw/zinc/89/76/49/951897649.db2.gz NXKIMGNTPMBYKQ-UHFFFAOYSA-N 2 2 304.394 0.240 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001333676607 952131131 /nfs/dbraw/zinc/13/11/31/952131131.db2.gz DYPXWNDXKSPUHE-CVEARBPZSA-N 2 2 320.437 0.200 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001333676607 952131135 /nfs/dbraw/zinc/13/11/35/952131135.db2.gz DYPXWNDXKSPUHE-CVEARBPZSA-N 2 2 320.437 0.200 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C3CC[NH+](C)CC3)n2CC)CC1 ZINC001340799212 953195306 /nfs/dbraw/zinc/19/53/06/953195306.db2.gz DOIPPGWGYPVTOA-UHFFFAOYSA-N 2 2 316.453 0.862 20 30 DCEDLP COCC#CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001283340254 954270720 /nfs/dbraw/zinc/27/07/20/954270720.db2.gz FYKXVZJWDJKDRH-UHFFFAOYSA-N 2 2 318.421 0.535 20 30 DCEDLP COCC#CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001283340254 954270728 /nfs/dbraw/zinc/27/07/28/954270728.db2.gz FYKXVZJWDJKDRH-UHFFFAOYSA-N 2 2 318.421 0.535 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001316629915 954620581 /nfs/dbraw/zinc/62/05/81/954620581.db2.gz OITKZYQBOPAVNQ-KBUPBQIOSA-N 2 2 316.405 0.647 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001316629915 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318.421 0.922 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001380564095 963364624 /nfs/dbraw/zinc/36/46/24/963364624.db2.gz BLBDLKRYGPHWCP-AWEZNQCLSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001380564095 963364630 /nfs/dbraw/zinc/36/46/30/963364630.db2.gz BLBDLKRYGPHWCP-AWEZNQCLSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001380564095 963364636 /nfs/dbraw/zinc/36/46/36/963364636.db2.gz BLBDLKRYGPHWCP-AWEZNQCLSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001380564095 963364639 /nfs/dbraw/zinc/36/46/39/963364639.db2.gz BLBDLKRYGPHWCP-AWEZNQCLSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001381617168 966585273 /nfs/dbraw/zinc/58/52/73/966585273.db2.gz KCHZDAQXLWTYRY-CHWSQXEVSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001381617168 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C[C@@H](C#N)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372751 416762546 /nfs/dbraw/zinc/76/25/46/416762546.db2.gz LPFUUMHVDDZGQC-KBPBESRZSA-N 2 2 307.442 0.956 20 30 DCEDLP CN(C(=O)CSCC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830694 416903709 /nfs/dbraw/zinc/90/37/09/416903709.db2.gz ORDHNVIFGWKENS-CQSZACIVSA-N 2 2 310.467 0.870 20 30 DCEDLP CN(C(=O)CSCC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830694 416903715 /nfs/dbraw/zinc/90/37/15/416903715.db2.gz ORDHNVIFGWKENS-CQSZACIVSA-N 2 2 310.467 0.870 20 30 DCEDLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313823 416967170 /nfs/dbraw/zinc/96/71/70/416967170.db2.gz SJLKXRPGASQFPQ-GJZGRUSLSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313823 416967181 /nfs/dbraw/zinc/96/71/81/416967181.db2.gz SJLKXRPGASQFPQ-GJZGRUSLSA-N 2 2 304.394 0.719 20 30 DCEDLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000565313823 416967186 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2 2 321.425 0.811 20 30 DCEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330251825 336129931 /nfs/dbraw/zinc/12/99/31/336129931.db2.gz HXYWTYRZALASHK-HNNXBMFYSA-N 2 2 308.426 0.734 20 30 DCEDLP CC(=O)N1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330251825 336129933 /nfs/dbraw/zinc/12/99/33/336129933.db2.gz HXYWTYRZALASHK-HNNXBMFYSA-N 2 2 308.426 0.734 20 30 DCEDLP COc1cc(C#N)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582773428 337146167 /nfs/dbraw/zinc/14/61/67/337146167.db2.gz MLONAWZHFQYWDT-LBPRGKRZSA-N 2 2 303.366 0.673 20 30 DCEDLP COc1cc(C#N)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582773428 337146168 /nfs/dbraw/zinc/14/61/68/337146168.db2.gz MLONAWZHFQYWDT-LBPRGKRZSA-N 2 2 303.366 0.673 20 30 DCEDLP N#CCNC(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000505733986 340175956 /nfs/dbraw/zinc/17/59/56/340175956.db2.gz PSZKZMBZFFRMLN-UHFFFAOYSA-N 2 2 308.305 0.262 20 30 DCEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCO2)cc1OC ZINC000264098996 533992961 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0.655 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401383 660533427 /nfs/dbraw/zinc/53/34/27/660533427.db2.gz CPCCZGSKWAPDJW-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401383 660533430 /nfs/dbraw/zinc/53/34/30/660533430.db2.gz CPCCZGSKWAPDJW-FPCVCCKLSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000980501834 660950251 /nfs/dbraw/zinc/95/02/51/660950251.db2.gz DIMZIZXSZGKLNA-JKSUJKDBSA-N 2 2 300.406 0.850 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028100869 661172287 /nfs/dbraw/zinc/17/22/87/661172287.db2.gz MSQRXUNYIXRJET-GJZGRUSLSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028100869 661172288 /nfs/dbraw/zinc/17/22/88/661172288.db2.gz MSQRXUNYIXRJET-GJZGRUSLSA-N 2 2 300.406 0.968 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000941437994 665998626 /nfs/dbraw/zinc/99/86/26/665998626.db2.gz HXSRLOMTMVVSCI-UHFFFAOYSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941437994 665998627 /nfs/dbraw/zinc/99/86/27/665998627.db2.gz HXSRLOMTMVVSCI-UHFFFAOYSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551516 657758563 /nfs/dbraw/zinc/75/85/63/657758563.db2.gz BNRZPUSMPDSQGS-RDJZCZTQSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551516 657758571 /nfs/dbraw/zinc/75/85/71/657758571.db2.gz BNRZPUSMPDSQGS-RDJZCZTQSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551516 657758578 /nfs/dbraw/zinc/75/85/78/657758578.db2.gz BNRZPUSMPDSQGS-RDJZCZTQSA-N 2 2 307.438 0.818 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551516 657758585 /nfs/dbraw/zinc/75/85/85/657758585.db2.gz BNRZPUSMPDSQGS-RDJZCZTQSA-N 2 2 307.438 0.818 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552625 657764516 /nfs/dbraw/zinc/76/45/16/657764516.db2.gz QJXSGINPXVXPOY-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552625 657764521 /nfs/dbraw/zinc/76/45/21/657764521.db2.gz QJXSGINPXVXPOY-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552625 657764534 /nfs/dbraw/zinc/76/45/34/657764534.db2.gz QJXSGINPXVXPOY-RDJZCZTQSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947471375 657823919 /nfs/dbraw/zinc/82/39/19/657823919.db2.gz BJCXLTBDWGNSOB-QWHCGFSZSA-N 2 2 304.394 0.952 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947471373 657824645 /nfs/dbraw/zinc/82/46/45/657824645.db2.gz BJCXLTBDWGNSOB-CHWSQXEVSA-N 2 2 304.394 0.952 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454392 657882714 /nfs/dbraw/zinc/88/27/14/657882714.db2.gz UTPBFPUIASVRNK-CYBMUJFWSA-N 2 2 304.394 0.811 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454392 657882719 /nfs/dbraw/zinc/88/27/19/657882719.db2.gz UTPBFPUIASVRNK-CYBMUJFWSA-N 2 2 304.394 0.811 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969977894 658318228 /nfs/dbraw/zinc/31/82/28/658318228.db2.gz AXNBEDRAQOIUCM-ZIAGYGMSSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389410 658703996 /nfs/dbraw/zinc/70/39/96/658703996.db2.gz MQVMJZSSMXVKQX-INMHGKMJSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389410 658704001 /nfs/dbraw/zinc/70/40/01/658704001.db2.gz MQVMJZSSMXVKQX-INMHGKMJSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389410 658704005 /nfs/dbraw/zinc/70/40/05/658704005.db2.gz MQVMJZSSMXVKQX-INMHGKMJSA-N 2 2 307.438 0.816 20 30 DCEDLP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389410 658704015 /nfs/dbraw/zinc/70/40/15/658704015.db2.gz MQVMJZSSMXVKQX-INMHGKMJSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972493121 658909643 /nfs/dbraw/zinc/90/96/43/658909643.db2.gz BMVDNWCUDFPGLL-SFHVURJKSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000972493121 658909647 /nfs/dbraw/zinc/90/96/47/658909647.db2.gz BMVDNWCUDFPGLL-SFHVURJKSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000999389745 665640064 /nfs/dbraw/zinc/64/00/64/665640064.db2.gz BSFNKSBDSURSHR-CVEARBPZSA-N 2 2 316.405 0.853 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000999389745 665640066 /nfs/dbraw/zinc/64/00/66/665640066.db2.gz BSFNKSBDSURSHR-CVEARBPZSA-N 2 2 316.405 0.853 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639354 661712154 /nfs/dbraw/zinc/71/21/54/661712154.db2.gz WSKPKRCQGDGKEU-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001028639354 661712155 /nfs/dbraw/zinc/71/21/55/661712155.db2.gz WSKPKRCQGDGKEU-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755069 661806651 /nfs/dbraw/zinc/80/66/51/661806651.db2.gz FSMZYUMLQDSDIN-NVXWUHKLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001028755069 661806654 /nfs/dbraw/zinc/80/66/54/661806654.db2.gz FSMZYUMLQDSDIN-NVXWUHKLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001028755069 661806656 /nfs/dbraw/zinc/80/66/56/661806656.db2.gz FSMZYUMLQDSDIN-NVXWUHKLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001028755069 661806659 /nfs/dbraw/zinc/80/66/59/661806659.db2.gz FSMZYUMLQDSDIN-NVXWUHKLSA-N 2 2 319.449 0.701 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1 ZINC000983901947 662072873 /nfs/dbraw/zinc/07/28/73/662072873.db2.gz PALFDBAOQVSYLX-BPUTZDHNSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1 ZINC000983901947 662072874 /nfs/dbraw/zinc/07/28/74/662072874.db2.gz PALFDBAOQVSYLX-BPUTZDHNSA-N 2 2 316.405 0.757 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#C)CC1(C)C ZINC000940807465 665851029 /nfs/dbraw/zinc/85/10/29/665851029.db2.gz PTNBNCLFNPTZHG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#C)CC1(C)C ZINC000940807465 665851031 /nfs/dbraw/zinc/85/10/31/665851031.db2.gz PTNBNCLFNPTZHG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC#C)CC1(C)C ZINC000940807465 665851036 /nfs/dbraw/zinc/85/10/36/665851036.db2.gz PTNBNCLFNPTZHG-JKSUJKDBSA-N 2 2 301.434 0.934 20 30 DCEDLP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799862 662514840 /nfs/dbraw/zinc/51/48/40/662514840.db2.gz OKWYFGFOFURCGI-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000985799862 662514842 /nfs/dbraw/zinc/51/48/42/662514842.db2.gz OKWYFGFOFURCGI-KRWDZBQOSA-N 2 2 319.449 0.653 20 30 DCEDLP C=CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903722705 663475095 /nfs/dbraw/zinc/47/50/95/663475095.db2.gz NSZOYSFCOPNETB-QLFBSQMISA-N 2 2 314.451 0.430 20 30 DCEDLP C=CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903722705 663475097 /nfs/dbraw/zinc/47/50/97/663475097.db2.gz NSZOYSFCOPNETB-QLFBSQMISA-N 2 2 314.451 0.430 20 30 DCEDLP C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000907374714 663690131 /nfs/dbraw/zinc/69/01/31/663690131.db2.gz VMPINDJHHYGZSA-UHFFFAOYSA-N 2 2 303.410 0.942 20 30 DCEDLP C#CC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444618 665995519 /nfs/dbraw/zinc/99/55/19/665995519.db2.gz QOAWQUKYVVZEDS-INIZCTEOSA-N 2 2 306.454 0.034 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730285724 664677015 /nfs/dbraw/zinc/67/70/15/664677015.db2.gz GKFSDTWMDNYGHN-OWCLPIDISA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000730285724 664677017 /nfs/dbraw/zinc/67/70/17/664677017.db2.gz GKFSDTWMDNYGHN-OWCLPIDISA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000915826603 664950968 /nfs/dbraw/zinc/95/09/68/664950968.db2.gz AMVNOKKLWWETLQ-AWEZNQCLSA-N 2 2 308.426 0.104 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000915826603 664950969 /nfs/dbraw/zinc/95/09/69/664950969.db2.gz AMVNOKKLWWETLQ-AWEZNQCLSA-N 2 2 308.426 0.104 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000941459538 666000428 /nfs/dbraw/zinc/00/04/28/666000428.db2.gz GMHXBDAGNQGURI-MRXNPFEDSA-N 2 2 306.454 0.485 20 30 DCEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941459538 666000429 /nfs/dbraw/zinc/00/04/29/666000429.db2.gz GMHXBDAGNQGURI-MRXNPFEDSA-N 2 2 306.454 0.485 20 30 DCEDLP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366518 666689711 /nfs/dbraw/zinc/68/97/11/666689711.db2.gz RYERECJOMVPJSF-ZBFHGGJFSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366518 666689712 /nfs/dbraw/zinc/68/97/12/666689712.db2.gz RYERECJOMVPJSF-ZBFHGGJFSA-N 2 2 300.406 0.920 20 30 DCEDLP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863569855 667158923 /nfs/dbraw/zinc/15/89/23/667158923.db2.gz AVEDSMNOXIOTQA-HOTGVXAUSA-N 2 2 316.405 0.521 20 30 DCEDLP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000863569855 667158924 /nfs/dbraw/zinc/15/89/24/667158924.db2.gz AVEDSMNOXIOTQA-HOTGVXAUSA-N 2 2 316.405 0.521 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034962008 667203633 /nfs/dbraw/zinc/20/36/33/667203633.db2.gz DDOQDELVRLHGOD-CABCVRRESA-N 2 2 317.393 0.248 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnon1 ZINC001034962008 667203635 /nfs/dbraw/zinc/20/36/35/667203635.db2.gz DDOQDELVRLHGOD-CABCVRRESA-N 2 2 317.393 0.248 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C#N)CCCOC3)C2)CC1 ZINC000865751408 667344376 /nfs/dbraw/zinc/34/43/76/667344376.db2.gz YVYKCBXJRBHGSS-RHSMWYFYSA-N 2 2 320.437 0.591 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C#N)CCCOC3)C2)CC1 ZINC000865751408 667344378 /nfs/dbraw/zinc/34/43/78/667344378.db2.gz YVYKCBXJRBHGSS-RHSMWYFYSA-N 2 2 320.437 0.591 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035853336 667414660 /nfs/dbraw/zinc/41/46/60/667414660.db2.gz NUNULGFYZWHRFV-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035853336 667414661 /nfs/dbraw/zinc/41/46/61/667414661.db2.gz NUNULGFYZWHRFV-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP CC1(C)COCC[N@@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884211669 667500729 /nfs/dbraw/zinc/50/07/29/667500729.db2.gz LHVLSAWEAKLPLR-UUCFBXCCSA-N 2 2 320.437 0.353 20 30 DCEDLP CC1(C)COCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884211669 667500733 /nfs/dbraw/zinc/50/07/33/667500733.db2.gz LHVLSAWEAKLPLR-UUCFBXCCSA-N 2 2 320.437 0.353 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000884461979 667549408 /nfs/dbraw/zinc/54/94/08/667549408.db2.gz SEJMBKUFGXYLRS-ZDUSSCGKSA-N 2 2 311.426 0.766 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000890363129 668120033 /nfs/dbraw/zinc/12/00/33/668120033.db2.gz KTQVJGRXBANJAL-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000890363129 668120035 /nfs/dbraw/zinc/12/00/35/668120035.db2.gz KTQVJGRXBANJAL-HNNXBMFYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000927502374 668472500 /nfs/dbraw/zinc/47/25/00/668472500.db2.gz LTCLFTMRFRBYJX-ZIAGYGMSSA-N 2 2 304.394 0.099 20 30 DCEDLP C#CC[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000927502374 668472502 /nfs/dbraw/zinc/47/25/02/668472502.db2.gz LTCLFTMRFRBYJX-ZIAGYGMSSA-N 2 2 304.394 0.099 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000876903131 668532453 /nfs/dbraw/zinc/53/24/53/668532453.db2.gz LICIPXWDJVIOMI-NEPJUHHUSA-N 2 2 317.817 0.552 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000876903131 668532454 /nfs/dbraw/zinc/53/24/54/668532454.db2.gz LICIPXWDJVIOMI-NEPJUHHUSA-N 2 2 317.817 0.552 20 30 DCEDLP C#CC1(F)CN(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000883417381 669682380 /nfs/dbraw/zinc/68/23/80/669682380.db2.gz YLOOJOOKHQECHZ-CYBMUJFWSA-N 2 2 308.401 0.522 20 30 DCEDLP C#CC1(F)CN(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000883417381 669682383 /nfs/dbraw/zinc/68/23/83/669682383.db2.gz YLOOJOOKHQECHZ-CYBMUJFWSA-N 2 2 308.401 0.522 20 30 DCEDLP C#CCC[C@@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000798412504 670003085 /nfs/dbraw/zinc/00/30/85/670003085.db2.gz DAVKKDWCPNLXDK-GOEBONIOSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CCC[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000798412504 670003086 /nfs/dbraw/zinc/00/30/86/670003086.db2.gz DAVKKDWCPNLXDK-GOEBONIOSA-N 2 2 322.453 0.228 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000950923346 670152993 /nfs/dbraw/zinc/15/29/93/670152993.db2.gz BQLLSGAMFVUSPL-BFHRDPOASA-N 2 2 317.433 0.406 20 30 DCEDLP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000950923346 670152996 /nfs/dbraw/zinc/15/29/96/670152996.db2.gz BQLLSGAMFVUSPL-BFHRDPOASA-N 2 2 317.433 0.406 20 30 DCEDLP C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267238 671382636 /nfs/dbraw/zinc/38/26/36/671382636.db2.gz ROUAZWPQJUVGKG-GOEBONIOSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267238 671382637 /nfs/dbraw/zinc/38/26/37/671382637.db2.gz ROUAZWPQJUVGKG-GOEBONIOSA-N 2 2 307.438 0.652 20 30 DCEDLP C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC000846121210 672295009 /nfs/dbraw/zinc/29/50/09/672295009.db2.gz JKJQDTLQTXVFQC-ZDUSSCGKSA-N 2 2 306.410 0.275 20 30 DCEDLP C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000732779966 685322876 /nfs/dbraw/zinc/32/28/76/685322876.db2.gz HLPGOMYOOQSOEV-MRXNPFEDSA-N 2 2 312.417 0.961 20 30 DCEDLP C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000732779966 685322883 /nfs/dbraw/zinc/32/28/83/685322883.db2.gz HLPGOMYOOQSOEV-MRXNPFEDSA-N 2 2 312.417 0.961 20 30 DCEDLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303881348 685207903 /nfs/dbraw/zinc/20/79/03/685207903.db2.gz KVCLVIOTZNQSDE-CVEARBPZSA-N 3 2 324.517 0.259 20 30 DCEDLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000303881348 685207905 /nfs/dbraw/zinc/20/79/05/685207905.db2.gz KVCLVIOTZNQSDE-CVEARBPZSA-N 3 2 324.517 0.259 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958257569 687484714 /nfs/dbraw/zinc/48/47/14/687484714.db2.gz HKUPZMUQEQMEFU-HIFRSBDPSA-N 2 2 314.389 0.933 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958257569 687484715 /nfs/dbraw/zinc/48/47/15/687484715.db2.gz HKUPZMUQEQMEFU-HIFRSBDPSA-N 2 2 314.389 0.933 20 30 DCEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039269843 694332401 /nfs/dbraw/zinc/33/24/01/694332401.db2.gz NWKPXFVRZSODBI-UYTSQGDYSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039269843 694332404 /nfs/dbraw/zinc/33/24/04/694332404.db2.gz NWKPXFVRZSODBI-UYTSQGDYSA-N 2 2 305.422 0.452 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978360863 690517881 /nfs/dbraw/zinc/51/78/81/690517881.db2.gz MTEAMBGQGDBNOE-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978360863 690517882 /nfs/dbraw/zinc/51/78/82/690517882.db2.gz MTEAMBGQGDBNOE-YHUYYLMFSA-N 2 2 312.417 0.763 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017570193 692940780 /nfs/dbraw/zinc/94/07/80/692940780.db2.gz WQANKAHMPQBCJW-VVLHAWIVSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017570193 692940782 /nfs/dbraw/zinc/94/07/82/692940782.db2.gz WQANKAHMPQBCJW-VVLHAWIVSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017570193 692940788 /nfs/dbraw/zinc/94/07/88/692940788.db2.gz WQANKAHMPQBCJW-VVLHAWIVSA-N 2 2 317.433 0.548 20 30 DCEDLP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017570193 692940792 /nfs/dbraw/zinc/94/07/92/692940792.db2.gz WQANKAHMPQBCJW-VVLHAWIVSA-N 2 2 317.433 0.548 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407456 694890066 /nfs/dbraw/zinc/89/00/66/694890066.db2.gz FTEQQIZEAAKMRU-CVEARBPZSA-N 2 2 305.422 0.407 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407456 694890069 /nfs/dbraw/zinc/89/00/69/694890069.db2.gz FTEQQIZEAAKMRU-CVEARBPZSA-N 2 2 305.422 0.407 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001571415314 1162737660 /nfs/dbraw/zinc/73/76/60/1162737660.db2.gz ISPLPQVJYYVRAB-YPMHNXCESA-N 2 2 321.425 0.388 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001571549066 1162804846 /nfs/dbraw/zinc/80/48/46/1162804846.db2.gz XBVGXMPWCNZGJA-HUUCEWRRSA-N 2 2 318.421 0.785 20 30 DCEDLP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001571602872 1162849840 /nfs/dbraw/zinc/84/98/40/1162849840.db2.gz OTRHPQYOYPIAET-CABCVRRESA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001571602872 1162849846 /nfs/dbraw/zinc/84/98/46/1162849846.db2.gz OTRHPQYOYPIAET-CABCVRRESA-N 2 2 318.421 0.220 20 30 DCEDLP C=C(C)C[NH+]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001687475889 1158645436 /nfs/dbraw/zinc/64/54/36/1158645436.db2.gz ZXNOEJJTLLOZGO-UHFFFAOYSA-N 2 2 305.426 0.779 20 30 DCEDLP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215050 1159066392 /nfs/dbraw/zinc/06/63/92/1159066392.db2.gz LLHVAHOFGFZDBI-CQSZACIVSA-N 2 2 304.394 0.191 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001566800612 1160156906 /nfs/dbraw/zinc/15/69/06/1160156906.db2.gz FMTDAMIYPXHTBE-BFYDXBDKSA-N 2 2 319.449 0.890 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001566800612 1160156908 /nfs/dbraw/zinc/15/69/08/1160156908.db2.gz FMTDAMIYPXHTBE-BFYDXBDKSA-N 2 2 319.449 0.890 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001569014250 1160918271 /nfs/dbraw/zinc/91/82/71/1160918271.db2.gz UADVWSKFPPIKSB-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001569014250 1160918275 /nfs/dbraw/zinc/91/82/75/1160918275.db2.gz UADVWSKFPPIKSB-ZBFHGGJFSA-N 2 2 307.438 0.747 20 30 DCEDLP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001569751064 1161222864 /nfs/dbraw/zinc/22/28/64/1161222864.db2.gz JVAQOKADWHZZHV-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001569751064 1161222865 /nfs/dbraw/zinc/22/28/65/1161222865.db2.gz JVAQOKADWHZZHV-PBHICJAKSA-N 2 2 316.405 0.022 20 30 DCEDLP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001570003104 1161377098 /nfs/dbraw/zinc/37/70/98/1161377098.db2.gz XERNZUCXJJWUGA-RRFJBIMHSA-N 2 2 300.406 0.985 20 30 DCEDLP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001570068509 1161413102 /nfs/dbraw/zinc/41/31/02/1161413102.db2.gz SWEVNFGUMRRTSR-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001570068509 1161413108 /nfs/dbraw/zinc/41/31/08/1161413108.db2.gz SWEVNFGUMRRTSR-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC001580044515 1165484652 /nfs/dbraw/zinc/48/46/52/1165484652.db2.gz CVDZJZAJMVGAIF-GOEBONIOSA-N 2 2 324.388 0.837 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001662568658 1174218224 /nfs/dbraw/zinc/21/82/24/1174218224.db2.gz HJCIADGLJBOGFL-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NCCC ZINC001663201031 1174274425 /nfs/dbraw/zinc/27/44/25/1174274425.db2.gz IXICGSBARWSRPE-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NCCC ZINC001663201031 1174274432 /nfs/dbraw/zinc/27/44/32/1174274432.db2.gz IXICGSBARWSRPE-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NCCC ZINC001663201031 1174274437 /nfs/dbraw/zinc/27/44/37/1174274437.db2.gz IXICGSBARWSRPE-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NCCC ZINC001663201031 1174274443 /nfs/dbraw/zinc/27/44/43/1174274443.db2.gz IXICGSBARWSRPE-CABCVRRESA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665690966 1174551768 /nfs/dbraw/zinc/55/17/68/1174551768.db2.gz AJRNKBGWSXAURM-MRXNPFEDSA-N 2 2 318.421 0.846 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001665690966 1174551774 /nfs/dbraw/zinc/55/17/74/1174551774.db2.gz AJRNKBGWSXAURM-MRXNPFEDSA-N 2 2 318.421 0.846 20 30 DCEDLP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001665834035 1174566454 /nfs/dbraw/zinc/56/64/54/1174566454.db2.gz MZYYISYLRLQQFU-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001665834035 1174566460 /nfs/dbraw/zinc/56/64/60/1174566460.db2.gz MZYYISYLRLQQFU-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C=CCOCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001666691117 1174624264 /nfs/dbraw/zinc/62/42/64/1174624264.db2.gz FWIHGKAEEQDIPF-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001666691117 1174624268 /nfs/dbraw/zinc/62/42/68/1174624268.db2.gz FWIHGKAEEQDIPF-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001666691117 1174624271 /nfs/dbraw/zinc/62/42/71/1174624271.db2.gz FWIHGKAEEQDIPF-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001666691117 1174624273 /nfs/dbraw/zinc/62/42/73/1174624273.db2.gz FWIHGKAEEQDIPF-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001669584625 1174937230 /nfs/dbraw/zinc/93/72/30/1174937230.db2.gz SFCPLEMRUBGJAE-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001669584625 1174937235 /nfs/dbraw/zinc/93/72/35/1174937235.db2.gz SFCPLEMRUBGJAE-WFASDCNBSA-N 2 2 304.394 0.675 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001676781520 1175488881 /nfs/dbraw/zinc/48/88/81/1175488881.db2.gz BSBMOSVVVKHAFG-HZPDHXFCSA-N 2 2 318.421 0.892 20 30 DCEDLP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001689210903 1176744729 /nfs/dbraw/zinc/74/47/29/1176744729.db2.gz XEZXNPGJRSKFKY-INIZCTEOSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001689210903 1176744734 /nfs/dbraw/zinc/74/47/34/1176744734.db2.gz XEZXNPGJRSKFKY-INIZCTEOSA-N 2 2 318.421 0.582 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001698733622 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WSKPZQZGWBAGRL-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC(C)C ZINC001699448796 1178143720 /nfs/dbraw/zinc/14/37/20/1178143720.db2.gz WSKPZQZGWBAGRL-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC(C)C ZINC001699448796 1178143726 /nfs/dbraw/zinc/14/37/26/1178143726.db2.gz WSKPZQZGWBAGRL-CABCVRRESA-N 2 2 322.453 0.045 20 30 DCEDLP C=CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001699885499 1178331764 /nfs/dbraw/zinc/33/17/64/1178331764.db2.gz HWKUOKWNCZDUFB-UHFFFAOYSA-N 2 2 306.410 0.794 20 30 DCEDLP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001700155199 1178503112 /nfs/dbraw/zinc/50/31/12/1178503112.db2.gz QLXNXZZKHITOIF-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001700156494 1178503634 /nfs/dbraw/zinc/50/36/34/1178503634.db2.gz YGLWIRCTMLTYGC-ZBFHGGJFSA-N 2 2 318.421 0.839 20 30 DCEDLP 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/nfs/dbraw/zinc/89/08/75/1180890875.db2.gz RFPQJNNYOOVFNG-AWEZNQCLSA-N 2 2 304.394 0.491 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001713519043 1180890886 /nfs/dbraw/zinc/89/08/86/1180890886.db2.gz RFPQJNNYOOVFNG-AWEZNQCLSA-N 2 2 304.394 0.491 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1coc(C)n1 ZINC001713602118 1180959033 /nfs/dbraw/zinc/95/90/33/1180959033.db2.gz PONSYAYWECGKTG-HNNXBMFYSA-N 2 2 304.394 0.629 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1coc(C)n1 ZINC001713602118 1180959037 /nfs/dbraw/zinc/95/90/37/1180959037.db2.gz PONSYAYWECGKTG-HNNXBMFYSA-N 2 2 304.394 0.629 20 30 DCEDLP COCC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001713934190 1181158327 /nfs/dbraw/zinc/15/83/27/1181158327.db2.gz RIVMXLGEVDNVCO-ZDUSSCGKSA-N 2 2 304.394 0.528 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001714982743 1181626397 /nfs/dbraw/zinc/62/63/97/1181626397.db2.gz UNKJLGHDLZYWRL-CYBMUJFWSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001714982743 1181626401 /nfs/dbraw/zinc/62/64/01/1181626401.db2.gz UNKJLGHDLZYWRL-CYBMUJFWSA-N 2 2 310.442 0.065 20 30 DCEDLP C=CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001715591624 1181881358 /nfs/dbraw/zinc/88/13/58/1181881358.db2.gz JFKBPAXWIHXAAK-UONOGXRCSA-N 2 2 306.410 0.478 20 30 DCEDLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001716105717 1182193638 /nfs/dbraw/zinc/19/36/38/1182193638.db2.gz ACUHJDVRRNTVFY-OAHLLOKOSA-N 2 2 312.373 0.071 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nnc(C)o1 ZINC001716147106 1182218852 /nfs/dbraw/zinc/21/88/52/1182218852.db2.gz GTNNWMLAPZMYAS-JSGCOSHPSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nnc(C)o1 ZINC001716147106 1182218857 /nfs/dbraw/zinc/21/88/57/1182218857.db2.gz GTNNWMLAPZMYAS-JSGCOSHPSA-N 2 2 319.409 0.460 20 30 DCEDLP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001716800811 1182530499 /nfs/dbraw/zinc/53/04/99/1182530499.db2.gz PCWRHHAGISRELT-CQSZACIVSA-N 2 2 316.405 0.573 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](CC(C)C)CC1 ZINC001716804610 1182531107 /nfs/dbraw/zinc/53/11/07/1182531107.db2.gz MDMZLLQPDQMNCY-QGZVFWFLSA-N 2 2 321.465 0.899 20 30 DCEDLP C#CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](CC(C)C)CC1 ZINC001716804610 1182531109 /nfs/dbraw/zinc/53/11/09/1182531109.db2.gz MDMZLLQPDQMNCY-QGZVFWFLSA-N 2 2 321.465 0.899 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001717588264 1182912189 /nfs/dbraw/zinc/91/21/89/1182912189.db2.gz WTGFVQCKHYKBFC-HZPDHXFCSA-N 2 2 321.465 0.805 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001717588264 1182912190 /nfs/dbraw/zinc/91/21/90/1182912190.db2.gz WTGFVQCKHYKBFC-HZPDHXFCSA-N 2 2 321.465 0.805 20 30 DCEDLP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001724672449 1184510750 /nfs/dbraw/zinc/51/07/50/1184510750.db2.gz SQSQGLNCPMOBHX-AWEZNQCLSA-N 2 2 306.410 0.432 20 30 DCEDLP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001724902295 1184611465 /nfs/dbraw/zinc/61/14/65/1184611465.db2.gz APKQVYNIHTZWNX-WMLDXEAASA-N 2 2 316.405 0.022 20 30 DCEDLP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001725132077 1184692291 /nfs/dbraw/zinc/69/22/91/1184692291.db2.gz RTNDRNJPGUXKSI-ZIAGYGMSSA-N 2 2 306.410 0.485 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001725310106 1184764306 /nfs/dbraw/zinc/76/43/06/1184764306.db2.gz MSRKUWYTPGMBBT-QKDCVEJESA-N 2 2 300.406 0.670 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001725310106 1184764310 /nfs/dbraw/zinc/76/43/10/1184764310.db2.gz MSRKUWYTPGMBBT-QKDCVEJESA-N 2 2 300.406 0.670 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001725314174 1184766117 /nfs/dbraw/zinc/76/61/17/1184766117.db2.gz WCXHRKGPQYXIQD-PHZGNYQRSA-N 2 2 316.405 0.217 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001725314174 1184766123 /nfs/dbraw/zinc/76/61/23/1184766123.db2.gz WCXHRKGPQYXIQD-PHZGNYQRSA-N 2 2 316.405 0.217 20 30 DCEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001725538066 1184868846 /nfs/dbraw/zinc/86/88/46/1184868846.db2.gz PDPWJDPRZNWDPJ-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001732644961 1185891756 /nfs/dbraw/zinc/89/17/56/1185891756.db2.gz KYHGFZCVAXTWFJ-AWEZNQCLSA-N 2 2 308.426 0.960 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nncn1C ZINC001732998286 1186097184 /nfs/dbraw/zinc/09/71/84/1186097184.db2.gz AXZBRJQXTLGXHC-IHRRRGAJSA-N 2 2 318.425 0.068 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nncn1C ZINC001732998286 1186097190 /nfs/dbraw/zinc/09/71/90/1186097190.db2.gz AXZBRJQXTLGXHC-IHRRRGAJSA-N 2 2 318.425 0.068 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001733188610 1186173678 /nfs/dbraw/zinc/17/36/78/1186173678.db2.gz ZBNPRUNWGMIREU-HNNXBMFYSA-N 2 2 304.394 0.097 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001733409145 1186263560 /nfs/dbraw/zinc/26/35/60/1186263560.db2.gz NMNIXKJRHUTMPP-DOTOQJQBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001733409145 1186263563 /nfs/dbraw/zinc/26/35/63/1186263563.db2.gz NMNIXKJRHUTMPP-DOTOQJQBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001733409145 1186263566 /nfs/dbraw/zinc/26/35/66/1186263566.db2.gz NMNIXKJRHUTMPP-DOTOQJQBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001733409145 1186263568 /nfs/dbraw/zinc/26/35/68/1186263568.db2.gz NMNIXKJRHUTMPP-DOTOQJQBSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001733590352 1186348940 /nfs/dbraw/zinc/34/89/40/1186348940.db2.gz FOTHENDNMBRAIO-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001733590352 1186348948 /nfs/dbraw/zinc/34/89/48/1186348948.db2.gz FOTHENDNMBRAIO-INIZCTEOSA-N 2 2 306.410 0.792 20 30 DCEDLP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001733950158 1186506633 /nfs/dbraw/zinc/50/66/33/1186506633.db2.gz JODWYZIVOZGGQL-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001734140006 1186559127 /nfs/dbraw/zinc/55/91/27/1186559127.db2.gz NFJARPCSNJXHIK-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001734140006 1186559130 /nfs/dbraw/zinc/55/91/30/1186559130.db2.gz NFJARPCSNJXHIK-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001734140006 1186559135 /nfs/dbraw/zinc/55/91/35/1186559135.db2.gz NFJARPCSNJXHIK-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001734140006 1186559136 /nfs/dbraw/zinc/55/91/36/1186559136.db2.gz NFJARPCSNJXHIK-KRWDZBQOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccon1 ZINC001734329378 1186615686 /nfs/dbraw/zinc/61/56/86/1186615686.db2.gz YGVILCDHQRDSJE-HIFRSBDPSA-N 2 2 304.394 0.709 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccon1 ZINC001734329378 1186615687 /nfs/dbraw/zinc/61/56/87/1186615687.db2.gz YGVILCDHQRDSJE-HIFRSBDPSA-N 2 2 304.394 0.709 20 30 DCEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001734373355 1186631096 /nfs/dbraw/zinc/63/10/96/1186631096.db2.gz JYSUJVZTCCIHMG-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001752471420 1188424678 /nfs/dbraw/zinc/42/46/78/1188424678.db2.gz OFERTUGOJOMESG-GDBMZVCRSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001752733458 1188436103 /nfs/dbraw/zinc/43/61/03/1188436103.db2.gz SCYJBLHUIQWUJD-FPMFFAJLSA-N 2 2 319.409 0.270 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001752733458 1188436105 /nfs/dbraw/zinc/43/61/05/1188436105.db2.gz SCYJBLHUIQWUJD-FPMFFAJLSA-N 2 2 319.409 0.270 20 30 DCEDLP COCC#CC[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001753213457 1188536737 /nfs/dbraw/zinc/53/67/37/1188536737.db2.gz SMXSWPYQECLKIH-UHFFFAOYSA-N 2 2 300.362 0.646 20 30 DCEDLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC001753309981 1188561684 /nfs/dbraw/zinc/56/16/84/1188561684.db2.gz HONCLEDLCDFDCH-IYBDPMFKSA-N 2 2 307.438 0.653 20 30 DCEDLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC001753309981 1188561686 /nfs/dbraw/zinc/56/16/86/1188561686.db2.gz HONCLEDLCDFDCH-IYBDPMFKSA-N 2 2 307.438 0.653 20 30 DCEDLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001753309981 1188561689 /nfs/dbraw/zinc/56/16/89/1188561689.db2.gz HONCLEDLCDFDCH-IYBDPMFKSA-N 2 2 307.438 0.653 20 30 DCEDLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001753309981 1188561691 /nfs/dbraw/zinc/56/16/91/1188561691.db2.gz HONCLEDLCDFDCH-IYBDPMFKSA-N 2 2 307.438 0.653 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753354826 1188572152 /nfs/dbraw/zinc/57/21/52/1188572152.db2.gz AZXXMDNBICDYTL-CYBMUJFWSA-N 2 2 319.409 0.035 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753354826 1188572156 /nfs/dbraw/zinc/57/21/56/1188572156.db2.gz AZXXMDNBICDYTL-CYBMUJFWSA-N 2 2 319.409 0.035 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001753459305 1188603112 /nfs/dbraw/zinc/60/31/12/1188603112.db2.gz OARLZWWMUZIUIV-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001753459305 1188603113 /nfs/dbraw/zinc/60/31/13/1188603113.db2.gz OARLZWWMUZIUIV-MRXNPFEDSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001753727746 1188647931 /nfs/dbraw/zinc/64/79/31/1188647931.db2.gz HZJFWBUXNCSHQO-KGLIPLIRSA-N 2 2 319.409 0.107 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001753755941 1188651412 /nfs/dbraw/zinc/65/14/12/1188651412.db2.gz XXUHFCDCACGHGY-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001753755941 1188651415 /nfs/dbraw/zinc/65/14/15/1188651415.db2.gz XXUHFCDCACGHGY-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001754444979 1188854278 /nfs/dbraw/zinc/85/42/78/1188854278.db2.gz MRMSWIANTDWQRN-CABCVRRESA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CC(=C)C)C1 ZINC001754754622 1188922477 /nfs/dbraw/zinc/92/24/77/1188922477.db2.gz PTYZXRCPRXKZNU-RDJZCZTQSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CC(=C)C)C1 ZINC001754754622 1188922480 /nfs/dbraw/zinc/92/24/80/1188922480.db2.gz PTYZXRCPRXKZNU-RDJZCZTQSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=C)C)C1 ZINC001754754622 1188922485 /nfs/dbraw/zinc/92/24/85/1188922485.db2.gz PTYZXRCPRXKZNU-RDJZCZTQSA-N 2 2 305.422 0.213 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CC(=C)C)C1 ZINC001754754622 1188922490 /nfs/dbraw/zinc/92/24/90/1188922490.db2.gz PTYZXRCPRXKZNU-RDJZCZTQSA-N 2 2 305.422 0.213 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001754797417 1188937685 /nfs/dbraw/zinc/93/76/85/1188937685.db2.gz OPDRPFMPZARVID-JKSUJKDBSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755306657 1189075334 /nfs/dbraw/zinc/07/53/34/1189075334.db2.gz PFQYQFAQQUANOS-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001755306657 1189075335 /nfs/dbraw/zinc/07/53/35/1189075335.db2.gz PFQYQFAQQUANOS-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001755632542 1189167074 /nfs/dbraw/zinc/16/70/74/1189167074.db2.gz URFQYSPZPDVCSG-LSDHHAIUSA-N 2 2 306.410 0.560 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042334479 751587196 /nfs/dbraw/zinc/58/71/96/751587196.db2.gz SWFRWNINRXBNCZ-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C[C@@H]21 ZINC001042334479 751587200 /nfs/dbraw/zinc/58/72/00/751587200.db2.gz SWFRWNINRXBNCZ-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@@H+](C)CCC)nn2)C1 ZINC001107231743 751962152 /nfs/dbraw/zinc/96/21/52/751962152.db2.gz OESKDLKHCBEOFS-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)C[N@H+](C)CCC)nn2)C1 ZINC001107231743 751962160 /nfs/dbraw/zinc/96/21/60/751962160.db2.gz OESKDLKHCBEOFS-UHFFFAOYSA-N 2 2 320.441 0.669 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656292 752218699 /nfs/dbraw/zinc/21/86/99/752218699.db2.gz FDZOYRPUKFQAOG-MRVWCRGKSA-N 2 2 304.394 0.567 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656292 752218702 /nfs/dbraw/zinc/21/87/02/752218702.db2.gz FDZOYRPUKFQAOG-MRVWCRGKSA-N 2 2 304.394 0.567 20 30 DCEDLP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077684270 752297738 /nfs/dbraw/zinc/29/77/38/752297738.db2.gz OVFQTLGNYFYUMI-HUUCEWRRSA-N 2 2 320.393 0.231 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001077684270 752297742 /nfs/dbraw/zinc/29/77/42/752297742.db2.gz OVFQTLGNYFYUMI-HUUCEWRRSA-N 2 2 320.393 0.231 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088018720 749194719 /nfs/dbraw/zinc/19/47/19/749194719.db2.gz IOUIPLFQSLWXPM-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001088018720 749194722 /nfs/dbraw/zinc/19/47/22/749194722.db2.gz IOUIPLFQSLWXPM-OAGGEKHMSA-N 2 2 312.417 0.859 20 30 DCEDLP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251557 750296561 /nfs/dbraw/zinc/29/65/61/750296561.db2.gz GLLOAFYDONTETN-BPLDGKMQSA-N 2 2 304.394 0.183 20 30 DCEDLP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251557 750296567 /nfs/dbraw/zinc/29/65/67/750296567.db2.gz GLLOAFYDONTETN-BPLDGKMQSA-N 2 2 304.394 0.183 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098773830 750779026 /nfs/dbraw/zinc/77/90/26/750779026.db2.gz PXHOBKIRKKLSRM-ZOBUZTSGSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098773830 750779028 /nfs/dbraw/zinc/77/90/28/750779028.db2.gz PXHOBKIRKKLSRM-ZOBUZTSGSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098773830 750779030 /nfs/dbraw/zinc/77/90/30/750779030.db2.gz PXHOBKIRKKLSRM-ZOBUZTSGSA-N 2 2 305.422 0.311 20 30 DCEDLP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098773830 750779032 /nfs/dbraw/zinc/77/90/32/750779032.db2.gz PXHOBKIRKKLSRM-ZOBUZTSGSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046568974 753797552 /nfs/dbraw/zinc/79/75/52/753797552.db2.gz FCCRXUXANCBXJF-YOEHRIQHSA-N 2 2 300.406 0.968 20 30 DCEDLP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046568974 753797561 /nfs/dbraw/zinc/79/75/61/753797561.db2.gz FCCRXUXANCBXJF-YOEHRIQHSA-N 2 2 300.406 0.968 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833405 753962371 /nfs/dbraw/zinc/96/23/71/753962371.db2.gz ZDMSBMMNXHVROM-PMPSAXMXSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083833405 753962378 /nfs/dbraw/zinc/96/23/78/753962378.db2.gz ZDMSBMMNXHVROM-PMPSAXMXSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083833405 753962383 /nfs/dbraw/zinc/96/23/83/753962383.db2.gz ZDMSBMMNXHVROM-PMPSAXMXSA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](O)C1 ZINC001083833405 753962387 /nfs/dbraw/zinc/96/23/87/753962387.db2.gz ZDMSBMMNXHVROM-PMPSAXMXSA-N 2 2 307.438 0.434 20 30 DCEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046925420 754021648 /nfs/dbraw/zinc/02/16/48/754021648.db2.gz IXKWHYKTJAZXDR-CHWSQXEVSA-N 2 2 317.380 0.576 20 30 DCEDLP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046925420 754021654 /nfs/dbraw/zinc/02/16/54/754021654.db2.gz IXKWHYKTJAZXDR-CHWSQXEVSA-N 2 2 317.380 0.576 20 30 DCEDLP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046925420 754021659 /nfs/dbraw/zinc/02/16/59/754021659.db2.gz IXKWHYKTJAZXDR-CHWSQXEVSA-N 2 2 317.380 0.576 20 30 DCEDLP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046925420 754021663 /nfs/dbraw/zinc/02/16/63/754021663.db2.gz IXKWHYKTJAZXDR-CHWSQXEVSA-N 2 2 317.380 0.576 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047436211 754281039 /nfs/dbraw/zinc/28/10/39/754281039.db2.gz UZCFMSYHSGOUMI-BPUTZDHNSA-N 2 2 318.421 0.525 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001047436211 754281043 /nfs/dbraw/zinc/28/10/43/754281043.db2.gz UZCFMSYHSGOUMI-BPUTZDHNSA-N 2 2 318.421 0.525 20 30 DCEDLP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128991926 754452011 /nfs/dbraw/zinc/45/20/11/754452011.db2.gz IFTOYYHLQGEFRN-UHFFFAOYSA-N 2 2 321.425 0.473 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108182402 754946282 /nfs/dbraw/zinc/94/62/82/754946282.db2.gz GYEAXKCZYWNQOG-QGZVFWFLSA-N 2 2 307.438 0.559 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108182402 754946285 /nfs/dbraw/zinc/94/62/85/754946285.db2.gz GYEAXKCZYWNQOG-QGZVFWFLSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)O2 ZINC001053584964 756105285 /nfs/dbraw/zinc/10/52/85/756105285.db2.gz AOGJQNSNJLMYET-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)O2 ZINC001053584964 756105288 /nfs/dbraw/zinc/10/52/88/756105288.db2.gz AOGJQNSNJLMYET-GJZGRUSLSA-N 2 2 323.437 0.243 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053926096 756282376 /nfs/dbraw/zinc/28/23/76/756282376.db2.gz VUVSFQZSXASVBM-LSDHHAIUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053926096 756282380 /nfs/dbraw/zinc/28/23/80/756282380.db2.gz VUVSFQZSXASVBM-LSDHHAIUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001054693639 756609247 /nfs/dbraw/zinc/60/92/47/756609247.db2.gz SHHNNDTUVYSYMF-UKRRQHHQSA-N 2 2 300.406 0.832 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848051 756841578 /nfs/dbraw/zinc/84/15/78/756841578.db2.gz JWPCQCVGJHBESO-KBUPBQIOSA-N 2 2 311.426 0.097 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848051 756841583 /nfs/dbraw/zinc/84/15/83/756841583.db2.gz JWPCQCVGJHBESO-KBUPBQIOSA-N 2 2 311.426 0.097 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848051 756841589 /nfs/dbraw/zinc/84/15/89/756841589.db2.gz JWPCQCVGJHBESO-KBUPBQIOSA-N 2 2 311.426 0.097 20 30 DCEDLP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001081848051 756841595 /nfs/dbraw/zinc/84/15/95/756841595.db2.gz JWPCQCVGJHBESO-KBUPBQIOSA-N 2 2 311.426 0.097 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001082129242 756940300 /nfs/dbraw/zinc/94/03/00/756940300.db2.gz ILIZGTZBEXRDMR-NUEKZKHPSA-N 2 2 318.421 0.755 20 30 DCEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](OC)C1 ZINC001082129242 756940302 /nfs/dbraw/zinc/94/03/02/756940302.db2.gz ILIZGTZBEXRDMR-NUEKZKHPSA-N 2 2 318.421 0.755 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090378270 757238060 /nfs/dbraw/zinc/23/80/60/757238060.db2.gz NQFKIYPZMXOHDP-HIFRSBDPSA-N 2 2 322.409 0.477 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](O)C1 ZINC001090378270 757238065 /nfs/dbraw/zinc/23/80/65/757238065.db2.gz NQFKIYPZMXOHDP-HIFRSBDPSA-N 2 2 322.409 0.477 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083174861 757548200 /nfs/dbraw/zinc/54/82/00/757548200.db2.gz BPZBPGWNGBQXTD-LUKYLMHMSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083174861 757548208 /nfs/dbraw/zinc/54/82/08/757548208.db2.gz BPZBPGWNGBQXTD-LUKYLMHMSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083174861 757548214 /nfs/dbraw/zinc/54/82/14/757548214.db2.gz BPZBPGWNGBQXTD-LUKYLMHMSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083174861 757548221 /nfs/dbraw/zinc/54/82/21/757548221.db2.gz BPZBPGWNGBQXTD-LUKYLMHMSA-N 2 2 319.449 0.652 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911440 758120764 /nfs/dbraw/zinc/12/07/64/758120764.db2.gz CIMSWDRLDCMFRJ-PMPSAXMXSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911440 758120765 /nfs/dbraw/zinc/12/07/65/758120765.db2.gz CIMSWDRLDCMFRJ-PMPSAXMXSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911440 758120768 /nfs/dbraw/zinc/12/07/68/758120768.db2.gz CIMSWDRLDCMFRJ-PMPSAXMXSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2CCCC)CC1 ZINC001051254146 758547349 /nfs/dbraw/zinc/54/73/49/758547349.db2.gz FPGALWDELKSGAL-KRWDZBQOSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2CCCC)CC1 ZINC001051254146 758547359 /nfs/dbraw/zinc/54/73/59/758547359.db2.gz FPGALWDELKSGAL-KRWDZBQOSA-N 2 2 321.465 0.949 20 30 DCEDLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045134 759138275 /nfs/dbraw/zinc/13/82/75/759138275.db2.gz QCPJPXXFFJNQCM-CVEARBPZSA-N 2 2 319.453 0.213 20 30 DCEDLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052045134 759138281 /nfs/dbraw/zinc/13/82/81/759138281.db2.gz QCPJPXXFFJNQCM-CVEARBPZSA-N 2 2 319.453 0.213 20 30 DCEDLP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639957 759147313 /nfs/dbraw/zinc/14/73/13/759147313.db2.gz ZJPMJXXCLQYQAD-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639957 759147315 /nfs/dbraw/zinc/14/73/15/759147315.db2.gz ZJPMJXXCLQYQAD-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639957 759147322 /nfs/dbraw/zinc/14/73/22/759147322.db2.gz ZJPMJXXCLQYQAD-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639957 759147327 /nfs/dbraw/zinc/14/73/27/759147327.db2.gz ZJPMJXXCLQYQAD-DLBZAZTESA-N 2 2 319.449 0.796 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081465 759165595 /nfs/dbraw/zinc/16/55/95/759165595.db2.gz BRTIZYUGZPFZFM-IAGOWNOFSA-N 2 2 320.481 0.733 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001052081465 759165598 /nfs/dbraw/zinc/16/55/98/759165598.db2.gz BRTIZYUGZPFZFM-IAGOWNOFSA-N 2 2 320.481 0.733 20 30 DCEDLP CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001052084755 759167722 /nfs/dbraw/zinc/16/77/22/759167722.db2.gz YFWPWEIOZVQTLV-SJORKVTESA-N 2 2 320.481 0.568 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117679 759190729 /nfs/dbraw/zinc/19/07/29/759190729.db2.gz XBIXISGCYIDQDB-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP C#CCCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117679 759190733 /nfs/dbraw/zinc/19/07/33/759190733.db2.gz XBIXISGCYIDQDB-IRXDYDNUSA-N 2 2 318.465 0.180 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117588 759191083 /nfs/dbraw/zinc/19/10/83/759191083.db2.gz UQHLRAYNTXYEOC-IAGOWNOFSA-N 2 2 320.481 0.733 20 30 DCEDLP C=C(C)CN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117588 759191088 /nfs/dbraw/zinc/19/10/88/759191088.db2.gz UQHLRAYNTXYEOC-IAGOWNOFSA-N 2 2 320.481 0.733 20 30 DCEDLP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789017 759318330 /nfs/dbraw/zinc/31/83/30/759318330.db2.gz YVFIJMLWEKIADO-GOEBONIOSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789017 759318339 /nfs/dbraw/zinc/31/83/39/759318339.db2.gz YVFIJMLWEKIADO-GOEBONIOSA-N 2 2 300.406 0.920 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001086176100 759802776 /nfs/dbraw/zinc/80/27/76/759802776.db2.gz CYKKAKYIOLYQII-HLLBOEOZSA-N 2 2 319.449 0.747 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001086176100 759802788 /nfs/dbraw/zinc/80/27/88/759802788.db2.gz CYKKAKYIOLYQII-HLLBOEOZSA-N 2 2 319.449 0.747 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100083709 760186779 /nfs/dbraw/zinc/18/67/79/760186779.db2.gz VSVFJHPJDPJZKQ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100083709 760186785 /nfs/dbraw/zinc/18/67/85/760186785.db2.gz VSVFJHPJDPJZKQ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083709 760186793 /nfs/dbraw/zinc/18/67/93/760186793.db2.gz VSVFJHPJDPJZKQ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100083709 760186801 /nfs/dbraw/zinc/18/68/01/760186801.db2.gz VSVFJHPJDPJZKQ-OLZOCXBDSA-N 2 2 303.834 0.632 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108342278 760415179 /nfs/dbraw/zinc/41/51/79/760415179.db2.gz DBTLXNRHJZVXJM-MRXNPFEDSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108342278 760415182 /nfs/dbraw/zinc/41/51/82/760415182.db2.gz DBTLXNRHJZVXJM-MRXNPFEDSA-N 2 2 306.410 0.746 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108351374 760424365 /nfs/dbraw/zinc/42/43/65/760424365.db2.gz JAARSFOISIXPFK-KRWDZBQOSA-N 2 2 309.454 0.949 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108351374 760424372 /nfs/dbraw/zinc/42/43/72/760424372.db2.gz JAARSFOISIXPFK-KRWDZBQOSA-N 2 2 309.454 0.949 20 30 DCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001108410903 760501588 /nfs/dbraw/zinc/50/15/88/760501588.db2.gz VKXIJXRUVQPJID-GDBMZVCRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001108410903 760501596 /nfs/dbraw/zinc/50/15/96/760501596.db2.gz VKXIJXRUVQPJID-GDBMZVCRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001108410903 760501603 /nfs/dbraw/zinc/50/16/03/760501603.db2.gz VKXIJXRUVQPJID-GDBMZVCRSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001108410903 760501610 /nfs/dbraw/zinc/50/16/10/760501610.db2.gz VKXIJXRUVQPJID-GDBMZVCRSA-N 2 2 311.426 0.100 20 30 DCEDLP CCOC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1C#N ZINC001169075325 760574468 /nfs/dbraw/zinc/57/44/68/760574468.db2.gz QMUHFSIMUXYUSJ-GFCCVEGCSA-N 2 2 314.345 0.783 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)CC2=O)C1 ZINC001108551996 760844670 /nfs/dbraw/zinc/84/46/70/760844670.db2.gz HISGLYVQHSEXMQ-CYBMUJFWSA-N 2 2 320.437 0.058 20 30 DCEDLP C=CC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+](C)C3CCC3)CC2=O)C1 ZINC001108551996 760844681 /nfs/dbraw/zinc/84/46/81/760844681.db2.gz HISGLYVQHSEXMQ-CYBMUJFWSA-N 2 2 320.437 0.058 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001129771437 763008145 /nfs/dbraw/zinc/00/81/45/763008145.db2.gz XMRLXBVMCYKHQU-INIZCTEOSA-N 2 2 315.421 0.133 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc2n(n1)CCC2 ZINC001129771437 763008149 /nfs/dbraw/zinc/00/81/49/763008149.db2.gz XMRLXBVMCYKHQU-INIZCTEOSA-N 2 2 315.421 0.133 20 30 DCEDLP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099803982 763050176 /nfs/dbraw/zinc/05/01/76/763050176.db2.gz GGCNNMFUALYIKC-UONOGXRCSA-N 2 2 306.410 0.860 20 30 DCEDLP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099803982 763050184 /nfs/dbraw/zinc/05/01/84/763050184.db2.gz GGCNNMFUALYIKC-UONOGXRCSA-N 2 2 306.410 0.860 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001100023871 763228248 /nfs/dbraw/zinc/22/82/48/763228248.db2.gz AKWCPQFRPGLHPQ-HUUCEWRRSA-N 2 2 318.421 0.581 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001100023871 763228257 /nfs/dbraw/zinc/22/82/57/763228257.db2.gz AKWCPQFRPGLHPQ-HUUCEWRRSA-N 2 2 318.421 0.581 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132856 763338291 /nfs/dbraw/zinc/33/82/91/763338291.db2.gz ZYWZWVPPBPREIR-OLZOCXBDSA-N 2 2 303.834 0.631 20 30 DCEDLP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132856 763338300 /nfs/dbraw/zinc/33/83/00/763338300.db2.gz ZYWZWVPPBPREIR-OLZOCXBDSA-N 2 2 303.834 0.631 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132856 763338311 /nfs/dbraw/zinc/33/83/11/763338311.db2.gz ZYWZWVPPBPREIR-OLZOCXBDSA-N 2 2 303.834 0.631 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132856 763338322 /nfs/dbraw/zinc/33/83/22/763338322.db2.gz ZYWZWVPPBPREIR-OLZOCXBDSA-N 2 2 303.834 0.631 20 30 DCEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001100461103 763591223 /nfs/dbraw/zinc/59/12/23/763591223.db2.gz KXOWFKUEJUWZDO-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP COCC#CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513088 764676308 /nfs/dbraw/zinc/67/63/08/764676308.db2.gz USWXIICIRNMPMG-HUUCEWRRSA-N 2 2 318.421 0.297 20 30 DCEDLP COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513088 764676313 /nfs/dbraw/zinc/67/63/13/764676313.db2.gz USWXIICIRNMPMG-HUUCEWRRSA-N 2 2 318.421 0.297 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133196216 764871427 /nfs/dbraw/zinc/87/14/27/764871427.db2.gz UGYPRFJZAUFKJE-LSDHHAIUSA-N 2 2 318.421 0.676 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC001122193936 767738654 /nfs/dbraw/zinc/73/86/54/767738654.db2.gz JIOOZFCXRAVLOK-QGZVFWFLSA-N 2 2 315.417 0.535 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC001122193936 767738658 /nfs/dbraw/zinc/73/86/58/767738658.db2.gz JIOOZFCXRAVLOK-QGZVFWFLSA-N 2 2 315.417 0.535 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncc(CC)o2)CC1 ZINC001152334367 769529362 /nfs/dbraw/zinc/52/93/62/769529362.db2.gz CDOODVJPULWRMF-UHFFFAOYSA-N 2 2 318.421 0.788 20 30 DCEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500904 769830853 /nfs/dbraw/zinc/83/08/53/769830853.db2.gz ZCKLUTALQFAYFK-CQSZACIVSA-N 2 2 321.425 0.402 20 30 DCEDLP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176686312 770153930 /nfs/dbraw/zinc/15/39/30/770153930.db2.gz VGIKLFWYOAGCKK-WBVHZDCISA-N 2 2 321.465 0.995 20 30 DCEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765567 771698733 /nfs/dbraw/zinc/69/87/33/771698733.db2.gz VTDKKYLKYAZGTE-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471994 771779708 /nfs/dbraw/zinc/77/97/08/771779708.db2.gz QTFAILDTNFNGIN-HNNXBMFYSA-N 2 2 303.410 0.909 20 30 DCEDLP CC#CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471994 771779713 /nfs/dbraw/zinc/77/97/13/771779713.db2.gz QTFAILDTNFNGIN-HNNXBMFYSA-N 2 2 303.410 0.909 20 30 DCEDLP C#CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001186000383 771983790 /nfs/dbraw/zinc/98/37/90/771983790.db2.gz NIEKVMPPXZVMBH-OAHLLOKOSA-N 2 2 318.425 0.116 20 30 DCEDLP C=CCOC[C@H]1CCC[C@@]12CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)CCO2 ZINC001160248283 772014778 /nfs/dbraw/zinc/01/47/78/772014778.db2.gz WYFNAKHQPQSBFV-WBTNSWJXSA-N 2 2 323.437 0.276 20 30 DCEDLP C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)CC1 ZINC001160432071 772036768 /nfs/dbraw/zinc/03/67/68/772036768.db2.gz NHDOVFUFVMZIRM-CYBMUJFWSA-N 2 2 311.426 0.766 20 30 DCEDLP COCC#CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161990042 772311728 /nfs/dbraw/zinc/31/17/28/772311728.db2.gz YZHBARHVPWDZOX-UHFFFAOYSA-N 2 2 316.405 0.671 20 30 DCEDLP COCC#CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161990042 772311730 /nfs/dbraw/zinc/31/17/30/772311730.db2.gz YZHBARHVPWDZOX-UHFFFAOYSA-N 2 2 316.405 0.671 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190948053 772696422 /nfs/dbraw/zinc/69/64/22/772696422.db2.gz TVFBHRNXFDULSI-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190948053 772696423 /nfs/dbraw/zinc/69/64/23/772696423.db2.gz TVFBHRNXFDULSI-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190948053 772696424 /nfs/dbraw/zinc/69/64/24/772696424.db2.gz TVFBHRNXFDULSI-CABCVRRESA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402305 772807814 /nfs/dbraw/zinc/80/78/14/772807814.db2.gz OIDXZYUNIPHKGN-LBPRGKRZSA-N 2 2 319.409 0.228 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203443439 772906872 /nfs/dbraw/zinc/90/68/72/772906872.db2.gz NTXHEFBCVNBAIQ-CABCVRRESA-N 2 2 316.405 0.619 20 30 DCEDLP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547048 773232735 /nfs/dbraw/zinc/23/27/35/773232735.db2.gz IZWBCVNZYIIKOK-KFWWJZLASA-N 2 2 305.426 0.436 20 30 DCEDLP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547048 773232736 /nfs/dbraw/zinc/23/27/36/773232736.db2.gz IZWBCVNZYIIKOK-KFWWJZLASA-N 2 2 305.426 0.436 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001197921991 773822964 /nfs/dbraw/zinc/82/29/64/773822964.db2.gz FHTBOWQCLYRINR-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001197921991 773822971 /nfs/dbraw/zinc/82/29/71/773822971.db2.gz FHTBOWQCLYRINR-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197921991 773822973 /nfs/dbraw/zinc/82/29/73/773822973.db2.gz FHTBOWQCLYRINR-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+](C)CCC)CC1 ZINC001197921991 773822980 /nfs/dbraw/zinc/82/29/80/773822980.db2.gz FHTBOWQCLYRINR-OAHLLOKOSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198106398 773861571 /nfs/dbraw/zinc/86/15/71/773861571.db2.gz WDGVZVXUDXRILD-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001198106398 773861578 /nfs/dbraw/zinc/86/15/78/773861578.db2.gz WDGVZVXUDXRILD-OAHLLOKOSA-N 2 2 322.453 0.307 20 30 DCEDLP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215007928 774033402 /nfs/dbraw/zinc/03/34/02/774033402.db2.gz AZSBEEJSSWDSPQ-IIAWOOMASA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550660 774244125 /nfs/dbraw/zinc/24/41/25/774244125.db2.gz ISDIGGJTCBTZKT-LSDHHAIUSA-N 2 2 305.422 0.263 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550660 774244127 /nfs/dbraw/zinc/24/41/27/774244127.db2.gz ISDIGGJTCBTZKT-LSDHHAIUSA-N 2 2 305.422 0.263 20 30 DCEDLP COc1cc(C#N)c(F)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219107367 774374126 /nfs/dbraw/zinc/37/41/26/774374126.db2.gz DTQDRFICTNEBEM-NSHDSACASA-N 2 2 303.297 0.938 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200653255 774391484 /nfs/dbraw/zinc/39/14/84/774391484.db2.gz HKCCDURNLBMLMM-HNNXBMFYSA-N 2 2 304.394 0.573 20 30 DCEDLP C#CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200653255 774391490 /nfs/dbraw/zinc/39/14/90/774391490.db2.gz HKCCDURNLBMLMM-HNNXBMFYSA-N 2 2 304.394 0.573 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001200728906 774401421 /nfs/dbraw/zinc/40/14/21/774401421.db2.gz LJNKDQAOAYIPTD-RBSFLKMASA-N 2 2 316.405 0.744 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001200728906 774401426 /nfs/dbraw/zinc/40/14/26/774401426.db2.gz LJNKDQAOAYIPTD-RBSFLKMASA-N 2 2 316.405 0.744 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200839319 774414514 /nfs/dbraw/zinc/41/45/14/774414514.db2.gz BEICWYDNIGXEDE-CABCVRRESA-N 2 2 316.405 0.286 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200843111 774415452 /nfs/dbraw/zinc/41/54/52/774415452.db2.gz XQMVEXSGSZPSTE-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201611687 774532205 /nfs/dbraw/zinc/53/22/05/774532205.db2.gz ICUDGDOHOIEKNM-HIFRSBDPSA-N 2 2 306.410 0.981 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201611687 774532207 /nfs/dbraw/zinc/53/22/07/774532207.db2.gz ICUDGDOHOIEKNM-HIFRSBDPSA-N 2 2 306.410 0.981 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001201610987 774532296 /nfs/dbraw/zinc/53/22/96/774532296.db2.gz BVKATYYVPQAYJQ-HIFRSBDPSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001201610987 774532299 /nfs/dbraw/zinc/53/22/99/774532299.db2.gz BVKATYYVPQAYJQ-HIFRSBDPSA-N 2 2 304.394 0.429 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208046 774615246 /nfs/dbraw/zinc/61/52/46/774615246.db2.gz HAEZHLAZMALAIN-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC=C)C[C@@H]1O ZINC001219821482 774620306 /nfs/dbraw/zinc/62/03/06/774620306.db2.gz NAXYYNHKZCIOLS-PMPSAXMXSA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC=C)C[C@@H]1O ZINC001219821482 774620309 /nfs/dbraw/zinc/62/03/09/774620309.db2.gz NAXYYNHKZCIOLS-PMPSAXMXSA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC=C)C[C@@H]1O ZINC001219821482 774620310 /nfs/dbraw/zinc/62/03/10/774620310.db2.gz NAXYYNHKZCIOLS-PMPSAXMXSA-N 2 2 305.422 0.212 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC=C)C[C@@H]1O ZINC001219821482 774620312 /nfs/dbraw/zinc/62/03/12/774620312.db2.gz NAXYYNHKZCIOLS-PMPSAXMXSA-N 2 2 305.422 0.212 20 30 DCEDLP N#Cc1ccccc1OCCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220684873 774889122 /nfs/dbraw/zinc/88/91/22/774889122.db2.gz FMCICGRNWYSBMF-CQSZACIVSA-N 2 2 313.361 0.736 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096690 774995229 /nfs/dbraw/zinc/99/52/29/774995229.db2.gz XGYFGQAGRVBTBI-PMPSAXMXSA-N 2 2 307.438 0.291 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096690 774995234 /nfs/dbraw/zinc/99/52/34/774995234.db2.gz XGYFGQAGRVBTBI-PMPSAXMXSA-N 2 2 307.438 0.291 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001230267941 776272636 /nfs/dbraw/zinc/27/26/36/776272636.db2.gz SACDSHPJKKHEQI-UHFFFAOYSA-N 2 2 319.409 0.074 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787930 945189530 /nfs/dbraw/zinc/18/95/30/945189530.db2.gz GWQPLLZQSXHZGF-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317787930 945189532 /nfs/dbraw/zinc/18/95/32/945189532.db2.gz GWQPLLZQSXHZGF-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317841485 945204190 /nfs/dbraw/zinc/20/41/90/945204190.db2.gz DBKHDNMZPVQWBR-CABCVRRESA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317841485 945204199 /nfs/dbraw/zinc/20/41/99/945204199.db2.gz DBKHDNMZPVQWBR-CABCVRRESA-N 2 2 300.406 0.859 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266290610 939052549 /nfs/dbraw/zinc/05/25/49/939052549.db2.gz FXQMCRNHDXXNAO-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266290610 939052555 /nfs/dbraw/zinc/05/25/55/939052555.db2.gz FXQMCRNHDXXNAO-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH+]1CCN(CC#N)CC1 ZINC001481474080 939887232 /nfs/dbraw/zinc/88/72/32/939887232.db2.gz LUHIZFLRVVUQSM-HOTGVXAUSA-N 2 2 321.469 0.459 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482195833 940376885 /nfs/dbraw/zinc/37/68/85/940376885.db2.gz OOAUHHTXBIJQSW-OAHLLOKOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482195833 940376886 /nfs/dbraw/zinc/37/68/86/940376886.db2.gz OOAUHHTXBIJQSW-OAHLLOKOSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083617 940613891 /nfs/dbraw/zinc/61/38/91/940613891.db2.gz FWNBICXYIAIGCW-LSDHHAIUSA-N 2 2 300.406 0.953 20 30 DCEDLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269200363 940645531 /nfs/dbraw/zinc/64/55/31/940645531.db2.gz VGAYZZGIRUPYAV-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001269200363 940645532 /nfs/dbraw/zinc/64/55/32/940645532.db2.gz VGAYZZGIRUPYAV-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001269200363 940645537 /nfs/dbraw/zinc/64/55/37/940645537.db2.gz VGAYZZGIRUPYAV-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001269200363 940645539 /nfs/dbraw/zinc/64/55/39/940645539.db2.gz VGAYZZGIRUPYAV-CVEARBPZSA-N 2 2 307.438 0.701 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270996847 941237662 /nfs/dbraw/zinc/23/76/62/941237662.db2.gz XCMLDGGTBUKABJ-JHJVBQTASA-N 2 2 319.409 0.252 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)C1=O ZINC001271122733 941272662 /nfs/dbraw/zinc/27/26/62/941272662.db2.gz YHOQVYBLGGQJMC-GXTWGEPZSA-N 2 2 319.409 0.176 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483142348 941906587 /nfs/dbraw/zinc/90/65/87/941906587.db2.gz SKOYQUOOAYIMGI-KGLIPLIRSA-N 2 2 304.394 0.190 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001484963798 943634059 /nfs/dbraw/zinc/63/40/59/943634059.db2.gz VYAREXDOZDYCTA-UHFFFAOYSA-N 2 2 304.394 0.264 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485321609 943827208 /nfs/dbraw/zinc/82/72/08/943827208.db2.gz XMFWGRRLBXWMPR-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001485321609 943827212 /nfs/dbraw/zinc/82/72/12/943827212.db2.gz XMFWGRRLBXWMPR-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485321609 943827217 /nfs/dbraw/zinc/82/72/17/943827217.db2.gz XMFWGRRLBXWMPR-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485321609 943827221 /nfs/dbraw/zinc/82/72/21/943827221.db2.gz XMFWGRRLBXWMPR-ZIAGYGMSSA-N 2 2 310.442 0.209 20 30 DCEDLP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485321436 943827247 /nfs/dbraw/zinc/82/72/47/943827247.db2.gz WQJIAKMWUOYLAQ-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485321436 943827256 /nfs/dbraw/zinc/82/72/56/943827256.db2.gz WQJIAKMWUOYLAQ-HUUCEWRRSA-N 2 2 318.421 0.532 20 30 DCEDLP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001485647037 944062229 /nfs/dbraw/zinc/06/22/29/944062229.db2.gz OGYMDJRJMRBUSQ-KGLIPLIRSA-N 2 2 318.421 0.916 20 30 DCEDLP C#CCN1C[C@@]2(F)C[N@@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001272887537 944302366 /nfs/dbraw/zinc/30/23/66/944302366.db2.gz GHWWPWXHJRHCLB-JKSUJKDBSA-N 2 2 311.376 0.536 20 30 DCEDLP C#CCN1C[C@@]2(F)C[N@H+](CC3CC[NH+](C)CC3)C[C@@]2(F)C1=O ZINC001272887537 944302373 /nfs/dbraw/zinc/30/23/73/944302373.db2.gz GHWWPWXHJRHCLB-JKSUJKDBSA-N 2 2 311.376 0.536 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001485944302 944424511 /nfs/dbraw/zinc/42/45/11/944424511.db2.gz MDCNZWZUGGFZKZ-ZDUSSCGKSA-N 2 2 306.410 0.774 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001319474026 945596860 /nfs/dbraw/zinc/59/68/60/945596860.db2.gz WSNBYUHMTXTTDO-OCCSQVGLSA-N 2 2 319.409 0.412 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001319474026 945596866 /nfs/dbraw/zinc/59/68/66/945596866.db2.gz WSNBYUHMTXTTDO-OCCSQVGLSA-N 2 2 319.409 0.412 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)O2 ZINC001280938019 945671390 /nfs/dbraw/zinc/67/13/90/945671390.db2.gz ZAYXGELZVLZRPZ-HNNXBMFYSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)O2 ZINC001280938019 945671395 /nfs/dbraw/zinc/67/13/95/945671395.db2.gz ZAYXGELZVLZRPZ-HNNXBMFYSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CCOC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251836200 945788254 /nfs/dbraw/zinc/78/82/54/945788254.db2.gz WHGRWVSVKSWRFF-FGTMMUONSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251836200 945788264 /nfs/dbraw/zinc/78/82/64/945788264.db2.gz WHGRWVSVKSWRFF-FGTMMUONSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001251836200 945788275 /nfs/dbraw/zinc/78/82/75/945788275.db2.gz WHGRWVSVKSWRFF-FGTMMUONSA-N 2 2 315.417 0.456 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001251836200 945788284 /nfs/dbraw/zinc/78/82/84/945788284.db2.gz WHGRWVSVKSWRFF-FGTMMUONSA-N 2 2 315.417 0.456 20 30 DCEDLP COCC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321128624 946180997 /nfs/dbraw/zinc/18/09/97/946180997.db2.gz XRGWRFPTPKFIID-XYBNCVKDSA-N 2 2 316.405 0.357 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001278864044 946494815 /nfs/dbraw/zinc/49/48/15/946494815.db2.gz AWADWKQPUZUQHX-AWEZNQCLSA-N 2 2 314.389 0.722 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001278864044 946494818 /nfs/dbraw/zinc/49/48/18/946494818.db2.gz AWADWKQPUZUQHX-AWEZNQCLSA-N 2 2 314.389 0.722 20 30 DCEDLP CC#CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001323519487 947113803 /nfs/dbraw/zinc/11/38/03/947113803.db2.gz NYTTWFZAAKRTCW-MRXNPFEDSA-N 2 2 319.449 0.892 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001273433565 947483683 /nfs/dbraw/zinc/48/36/83/947483683.db2.gz BNPDDJVPYHDOSI-ZIAGYGMSSA-N 2 2 304.394 0.601 20 30 DCEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001489213842 949609608 /nfs/dbraw/zinc/60/96/08/949609608.db2.gz IMVCHXYCYHBJAV-UHFFFAOYSA-N 2 2 314.389 0.988 20 30 DCEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001489213842 949609617 /nfs/dbraw/zinc/60/96/17/949609617.db2.gz IMVCHXYCYHBJAV-UHFFFAOYSA-N 2 2 314.389 0.988 20 30 DCEDLP COCC#CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001265377829 949644352 /nfs/dbraw/zinc/64/43/52/949644352.db2.gz CTKHSXHKINJLSL-OAHLLOKOSA-N 2 2 304.394 0.395 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266006065 950248973 /nfs/dbraw/zinc/24/89/73/950248973.db2.gz HNUGBIHMYKVIBZ-LSDHHAIUSA-N 2 2 318.421 0.961 20 30 DCEDLP C#CCC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001279421911 950569941 /nfs/dbraw/zinc/56/99/41/950569941.db2.gz AGFKWLUILJKORO-OAHLLOKOSA-N 2 2 318.421 0.533 20 30 DCEDLP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001279422193 950570961 /nfs/dbraw/zinc/57/09/61/950570961.db2.gz DJAOZCQBKNOPLK-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP COCC#CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001490389971 950632382 /nfs/dbraw/zinc/63/23/82/950632382.db2.gz IPXKSFPKLOVZMG-UHFFFAOYSA-N 2 2 318.421 0.583 20 30 DCEDLP COCC#CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001490389971 950632392 /nfs/dbraw/zinc/63/23/92/950632392.db2.gz IPXKSFPKLOVZMG-UHFFFAOYSA-N 2 2 318.421 0.583 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001331293824 951060474 /nfs/dbraw/zinc/06/04/74/951060474.db2.gz GLSBFYGOUMRJKC-HOCLYGCPSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001332216208 951524896 /nfs/dbraw/zinc/52/48/96/951524896.db2.gz DAJJVWYHYLAMMR-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001332216208 951524900 /nfs/dbraw/zinc/52/49/00/951524900.db2.gz DAJJVWYHYLAMMR-CABCVRRESA-N 2 2 322.453 0.354 20 30 DCEDLP C#CCNC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2 ZINC001274654953 951770850 /nfs/dbraw/zinc/77/08/50/951770850.db2.gz HTJGRBJJKWNXIS-JKSUJKDBSA-N 2 2 321.465 0.541 20 30 DCEDLP C#CCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2 ZINC001274654950 951771923 /nfs/dbraw/zinc/77/19/23/951771923.db2.gz HTJGRBJJKWNXIS-HOTGVXAUSA-N 2 2 321.465 0.541 20 30 DCEDLP C#CC[NH2+]CC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC001340250221 953157267 /nfs/dbraw/zinc/15/72/67/953157267.db2.gz RRTJTPKLISLBBI-INIZCTEOSA-N 2 2 314.433 0.536 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001284151132 954880565 /nfs/dbraw/zinc/88/05/65/954880565.db2.gz DQEOVNVZHUAWCP-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001284151132 954880577 /nfs/dbraw/zinc/88/05/77/954880577.db2.gz DQEOVNVZHUAWCP-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001284151132 954880593 /nfs/dbraw/zinc/88/05/93/954880593.db2.gz DQEOVNVZHUAWCP-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001502802818 1016076940 /nfs/dbraw/zinc/07/69/40/1016076940.db2.gz SMBRENHXILSAAT-UHFFFAOYSA-N 2 2 319.409 0.225 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001507329590 1016258070 /nfs/dbraw/zinc/25/80/70/1016258070.db2.gz WDNNFNVPYHEFPC-GJZGRUSLSA-N 2 2 318.421 0.582 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402286040 1001179329 /nfs/dbraw/zinc/17/93/29/1001179329.db2.gz GNBWMXQQEKPLNO-GXTWGEPZSA-N 2 2 303.834 0.632 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001402286040 1001179333 /nfs/dbraw/zinc/17/93/33/1001179333.db2.gz GNBWMXQQEKPLNO-GXTWGEPZSA-N 2 2 303.834 0.632 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507675218 1016522007 /nfs/dbraw/zinc/52/20/07/1016522007.db2.gz MOEGMWLUKPAICB-CQSZACIVSA-N 2 2 306.410 0.127 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507675218 1016522019 /nfs/dbraw/zinc/52/20/19/1016522019.db2.gz MOEGMWLUKPAICB-CQSZACIVSA-N 2 2 306.410 0.127 20 30 DCEDLP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001403396756 1001922689 /nfs/dbraw/zinc/92/26/89/1001922689.db2.gz CZOGTBJXCDJLPR-NEPJUHHUSA-N 2 2 312.801 0.910 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001420139642 1001927967 /nfs/dbraw/zinc/92/79/67/1001927967.db2.gz DBPOWFYPQVHYSQ-YPMHNXCESA-N 2 2 312.801 0.265 20 30 DCEDLP N#Cc1ccc(C[NH2+]C[C@H](O)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001406325371 1003605246 /nfs/dbraw/zinc/60/52/46/1003605246.db2.gz UUMCGBXDQMAJTH-NSHDSACASA-N 2 2 319.390 0.083 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507005256 1017756270 /nfs/dbraw/zinc/75/62/70/1017756270.db2.gz YYXBOVCGRSYYEO-ZIAGYGMSSA-N 2 2 315.845 0.896 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507005256 1017756281 /nfs/dbraw/zinc/75/62/81/1017756281.db2.gz YYXBOVCGRSYYEO-ZIAGYGMSSA-N 2 2 315.845 0.896 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001507005255 1017757224 /nfs/dbraw/zinc/75/72/24/1017757224.db2.gz YYXBOVCGRSYYEO-UONOGXRCSA-N 2 2 315.845 0.896 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001507005255 1017757229 /nfs/dbraw/zinc/75/72/29/1017757229.db2.gz YYXBOVCGRSYYEO-UONOGXRCSA-N 2 2 315.845 0.896 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCOCC ZINC001494658967 1017922173 /nfs/dbraw/zinc/92/21/73/1017922173.db2.gz NQQGLYWERIVMQP-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCOCC ZINC001494658967 1017922177 /nfs/dbraw/zinc/92/21/77/1017922177.db2.gz NQQGLYWERIVMQP-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCOCC ZINC001494658967 1017922188 /nfs/dbraw/zinc/92/21/88/1017922188.db2.gz NQQGLYWERIVMQP-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCOCC ZINC001494658967 1017922194 /nfs/dbraw/zinc/92/21/94/1017922194.db2.gz NQQGLYWERIVMQP-ULQDDVLXSA-N 2 2 319.449 0.796 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CCN(CC)C(=O)Cn2cc[nH+]c2)C1=O ZINC001497506380 1018178061 /nfs/dbraw/zinc/17/80/61/1018178061.db2.gz OXVXFEDGKGEFKK-AWEZNQCLSA-N 2 2 319.409 0.108 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001480332566 1018436249 /nfs/dbraw/zinc/43/62/49/1018436249.db2.gz MIYJDTMGTKPCOG-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001480332566 1018436260 /nfs/dbraw/zinc/43/62/60/1018436260.db2.gz MIYJDTMGTKPCOG-GJZGRUSLSA-N 2 2 322.453 0.047 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001480365178 1018465594 /nfs/dbraw/zinc/46/55/94/1018465594.db2.gz OVSNELUMDWAAQD-HNNXBMFYSA-N 2 2 318.421 0.583 20 30 DCEDLP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500691900 1018584492 /nfs/dbraw/zinc/58/44/92/1018584492.db2.gz FBPZSZFPFLPVSB-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500691900 1018584503 /nfs/dbraw/zinc/58/45/03/1018584503.db2.gz FBPZSZFPFLPVSB-RHSMWYFYSA-N 2 2 316.405 0.022 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480774334 1018895206 /nfs/dbraw/zinc/89/52/06/1018895206.db2.gz DZMFHRJQPCRPRY-HUUCEWRRSA-N 2 2 318.421 0.580 20 30 DCEDLP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497013040 1019917705 /nfs/dbraw/zinc/91/77/05/1019917705.db2.gz VLNJOYVDHYQUJJ-ZIAGYGMSSA-N 2 2 306.410 0.478 20 30 DCEDLP C[C@@H]1C[NH+]=C(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)N1 ZINC000262201906 238170699 /nfs/dbraw/zinc/17/06/99/238170699.db2.gz AXMJCBHYGZCJHY-CYBMUJFWSA-N 2 2 316.409 0.058 20 30 DCEDLP C[C@@H]1C[NH+]=C(NCc2cccc(OCC[NH+]3CCOCC3)c2)N1 ZINC000262675363 238178536 /nfs/dbraw/zinc/17/85/36/238178536.db2.gz SYQALHSJXPTCSA-CQSZACIVSA-N 2 2 318.421 0.835 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC(C)(C)CC2)CC1 ZINC000491620809 241125693 /nfs/dbraw/zinc/12/56/93/241125693.db2.gz GEMKOTFGSOFTHL-UHFFFAOYSA-N 2 2 309.479 0.981 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC(C)(C)CC2)CC1 ZINC000491620809 241125700 /nfs/dbraw/zinc/12/57/00/241125700.db2.gz GEMKOTFGSOFTHL-UHFFFAOYSA-N 2 2 309.479 0.981 20 30 DCEDLP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000328711232 285262021 /nfs/dbraw/zinc/26/20/21/285262021.db2.gz NAKUQDVMXIEZCX-HUUCEWRRSA-N 2 2 312.458 0.943 20 30 DCEDLP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000328711232 285262022 /nfs/dbraw/zinc/26/20/22/285262022.db2.gz NAKUQDVMXIEZCX-HUUCEWRRSA-N 2 2 312.458 0.943 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1C#N ZINC000089663042 395713644 /nfs/dbraw/zinc/71/36/44/395713644.db2.gz WBELMONPIMWMHI-ZDUSSCGKSA-N 2 2 304.398 0.856 20 30 DCEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1C#N ZINC000089663042 395713647 /nfs/dbraw/zinc/71/36/47/395713647.db2.gz WBELMONPIMWMHI-ZDUSSCGKSA-N 2 2 304.398 0.856 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OCCC(C)C)C2)CC1 ZINC000083246922 396314242 /nfs/dbraw/zinc/31/42/42/396314242.db2.gz DXDLNCBFMSXJAM-KRWDZBQOSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OCCC(C)C)C2)CC1 ZINC000083246922 396314247 /nfs/dbraw/zinc/31/42/47/396314247.db2.gz DXDLNCBFMSXJAM-KRWDZBQOSA-N 2 2 321.465 0.901 20 30 DCEDLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N(C)CCC#N ZINC000596046788 396711136 /nfs/dbraw/zinc/71/11/36/396711136.db2.gz MQXQEVIUQFOXHU-ZFWWWQNUSA-N 2 2 308.426 0.590 20 30 DCEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000610581196 396733225 /nfs/dbraw/zinc/73/32/25/396733225.db2.gz LSZRRCZVODWOMU-XQQFMLRXSA-N 2 2 302.403 0.876 20 30 DCEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000610581196 396733230 /nfs/dbraw/zinc/73/32/30/396733230.db2.gz LSZRRCZVODWOMU-XQQFMLRXSA-N 2 2 302.403 0.876 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602530339 397431735 /nfs/dbraw/zinc/43/17/35/397431735.db2.gz YNGCLHWCNMJQJO-INIZCTEOSA-N 2 2 315.421 0.986 20 30 DCEDLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602530339 397431740 /nfs/dbraw/zinc/43/17/40/397431740.db2.gz YNGCLHWCNMJQJO-INIZCTEOSA-N 2 2 315.421 0.986 20 30 DCEDLP C[N@H+](CCCC1(C#N)CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989278 397542823 /nfs/dbraw/zinc/54/28/23/397542823.db2.gz JVVFKZNYFBCMCQ-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP C[N@@H+](CCCC1(C#N)CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989278 397542831 /nfs/dbraw/zinc/54/28/31/397542831.db2.gz JVVFKZNYFBCMCQ-UHFFFAOYSA-N 2 2 322.453 0.793 20 30 DCEDLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)Nc1cc(F)ccc1F ZINC000288752395 415683045 /nfs/dbraw/zinc/68/30/45/415683045.db2.gz RBANONMAZRSEOR-NSHDSACASA-N 2 2 314.336 0.385 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329519945 416174579 /nfs/dbraw/zinc/17/45/79/416174579.db2.gz FHLRKEQVNAHVHU-QWHCGFSZSA-N 2 2 307.398 0.110 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000329581496 416178734 /nfs/dbraw/zinc/17/87/34/416178734.db2.gz ADQXWDVVCWMBGT-RWMBFGLXSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000329581496 416178738 /nfs/dbraw/zinc/17/87/38/416178738.db2.gz ADQXWDVVCWMBGT-RWMBFGLXSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000329581496 416178742 /nfs/dbraw/zinc/17/87/42/416178742.db2.gz ADQXWDVVCWMBGT-RWMBFGLXSA-N 2 2 321.425 0.568 20 30 DCEDLP C[C@H](O)C[N@H+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000329581496 416178746 /nfs/dbraw/zinc/17/87/46/416178746.db2.gz ADQXWDVVCWMBGT-RWMBFGLXSA-N 2 2 321.425 0.568 20 30 DCEDLP CN(CC[NH+]1CCOCC1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330268509 416199699 /nfs/dbraw/zinc/19/96/99/416199699.db2.gz IRLUJMHYGZDOTG-ZDUSSCGKSA-N 2 2 307.398 0.376 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000329351514 416165264 /nfs/dbraw/zinc/16/52/64/416165264.db2.gz FKJXYPMGFQXKTJ-INIZCTEOSA-N 2 2 323.485 0.776 20 30 DCEDLP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000329351514 416165266 /nfs/dbraw/zinc/16/52/66/416165266.db2.gz FKJXYPMGFQXKTJ-INIZCTEOSA-N 2 2 323.485 0.776 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)CC1 ZINC000491669215 416614122 /nfs/dbraw/zinc/61/41/22/416614122.db2.gz CBGOOWRIAKSNAE-JYJNAYRXSA-N 2 2 307.438 0.245 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)CC1 ZINC000491669215 416614124 /nfs/dbraw/zinc/61/41/24/416614124.db2.gz CBGOOWRIAKSNAE-JYJNAYRXSA-N 2 2 307.438 0.245 20 30 DCEDLP C[NH+]1CCC([NH+]2CCC(Nc3cc(C#N)cnn3)CC2)CC1 ZINC000596103448 416576173 /nfs/dbraw/zinc/57/61/73/416576173.db2.gz UMCOXPUIHXOYFY-UHFFFAOYSA-N 2 2 300.410 1.319 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](COC)c2ccccc2)CC1 ZINC000490913652 416578709 /nfs/dbraw/zinc/57/87/09/416578709.db2.gz DPPVPKVYGJPLPU-KRWDZBQOSA-N 2 2 315.417 0.741 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000490914362 416579500 /nfs/dbraw/zinc/57/95/00/416579500.db2.gz HXAQZUCKYQGJAB-KRWDZBQOSA-N 2 2 307.438 0.391 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000490914362 416579503 /nfs/dbraw/zinc/57/95/03/416579503.db2.gz HXAQZUCKYQGJAB-KRWDZBQOSA-N 2 2 307.438 0.391 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000490951477 416581438 /nfs/dbraw/zinc/58/14/38/416581438.db2.gz YMFBRCOCOMCQOQ-IRXDYDNUSA-N 2 2 305.422 0.311 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000491040036 416583576 /nfs/dbraw/zinc/58/35/76/416583576.db2.gz RTJJGNYFLUCUAF-RDJZCZTQSA-N 2 2 307.438 0.247 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=S)NCCC[NH+]1CCOCC1 ZINC000491778042 416626435 /nfs/dbraw/zinc/62/64/35/416626435.db2.gz GZVFNEHTPBJULF-UHFFFAOYSA-N 2 2 312.483 0.128 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=S)NCCC[NH+]1CCOCC1 ZINC000491778042 416626439 /nfs/dbraw/zinc/62/64/39/416626439.db2.gz GZVFNEHTPBJULF-UHFFFAOYSA-N 2 2 312.483 0.128 20 30 DCEDLP C=CC[NH+]1CCC(NS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631908924 416791024 /nfs/dbraw/zinc/79/10/24/416791024.db2.gz HLUBQBIEOQETLF-UHFFFAOYSA-N 2 2 301.456 0.650 20 30 DCEDLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCN(C)CC1 ZINC000565714343 417011761 /nfs/dbraw/zinc/01/17/61/417011761.db2.gz IWLPCMMJRXICJY-LSDHHAIUSA-N 2 2 309.458 0.396 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762800 417736882 /nfs/dbraw/zinc/73/68/82/417736882.db2.gz OKNWSILAPPXJGA-WBVHZDCISA-N 2 2 309.454 0.964 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762800 417736884 /nfs/dbraw/zinc/73/68/84/417736884.db2.gz OKNWSILAPPXJGA-WBVHZDCISA-N 2 2 309.454 0.964 20 30 DCEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000662167556 418386098 /nfs/dbraw/zinc/38/60/98/418386098.db2.gz JGCUUKJWSRTILO-CYBMUJFWSA-N 2 2 309.435 0.529 20 30 DCEDLP COc1cccc([C@@H](CNC(=[NH2+])N2CCOCC2)[NH+](C)C)c1 ZINC000264056210 533716281 /nfs/dbraw/zinc/71/62/81/533716281.db2.gz AYLCSICBCKQTNZ-OAHLLOKOSA-N 2 2 306.410 0.945 20 30 DCEDLP C#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001569893203 1161299863 /nfs/dbraw/zinc/29/98/63/1161299863.db2.gz CACQXSRMVAESQY-WBVHZDCISA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001569893203 1161299867 /nfs/dbraw/zinc/29/98/67/1161299867.db2.gz CACQXSRMVAESQY-WBVHZDCISA-N 2 2 307.438 0.436 20 30 DCEDLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](C)CCO2)cc1OC ZINC000264098998 533991992 /nfs/dbraw/zinc/99/19/92/533991992.db2.gz NONPQUVRTAHVIQ-LBPRGKRZSA-N 2 2 308.382 0.761 20 30 DCEDLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCO2)cc1OC ZINC000264098998 533991998 /nfs/dbraw/zinc/99/19/98/533991998.db2.gz NONPQUVRTAHVIQ-LBPRGKRZSA-N 2 2 308.382 0.761 20 30 DCEDLP C=CCNC(=[NH2+])NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000264130586 526388339 /nfs/dbraw/zinc/38/83/39/526388339.db2.gz XVDIUELSEBYWLG-UHFFFAOYSA-N 2 2 318.421 0.988 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372330895 527029107 /nfs/dbraw/zinc/02/91/07/527029107.db2.gz IHGIMLOVRPEYDY-JYJNAYRXSA-N 2 2 306.454 0.082 20 30 DCEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000372330895 527029111 /nfs/dbraw/zinc/02/91/11/527029111.db2.gz IHGIMLOVRPEYDY-JYJNAYRXSA-N 2 2 306.454 0.082 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294438 528360388 /nfs/dbraw/zinc/36/03/88/528360388.db2.gz KTPDTOPIVBACCC-BZUAXINKSA-N 2 2 322.453 0.932 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371294438 528360393 /nfs/dbraw/zinc/36/03/93/528360393.db2.gz KTPDTOPIVBACCC-BZUAXINKSA-N 2 2 322.453 0.932 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000575193132 546297584 /nfs/dbraw/zinc/29/75/84/546297584.db2.gz ZVRORPVCHFXMLA-UHFFFAOYSA-N 2 2 316.405 0.612 20 30 DCEDLP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978380226 660527969 /nfs/dbraw/zinc/52/79/69/660527969.db2.gz AFGWQHSSGYBENB-QCEMKRCNSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978380226 660527970 /nfs/dbraw/zinc/52/79/70/660527970.db2.gz AFGWQHSSGYBENB-QCEMKRCNSA-N 2 2 300.406 0.926 20 30 DCEDLP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001020420021 657567408 /nfs/dbraw/zinc/56/74/08/657567408.db2.gz CQDBTAGGEPQBDH-FPCVCCKLSA-N 2 2 323.437 0.289 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947471376 657823810 /nfs/dbraw/zinc/82/38/10/657823810.db2.gz BJCXLTBDWGNSOB-STQMWFEESA-N 2 2 304.394 0.952 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCC1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261887668 658556562 /nfs/dbraw/zinc/55/65/62/658556562.db2.gz QBVHOGBVJJXOON-LBPRGKRZSA-N 2 2 321.391 0.836 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC000972392012 658707159 /nfs/dbraw/zinc/70/71/59/658707159.db2.gz GKSAWRLLGMDOGA-JZXOWHBKSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000972392012 658707163 /nfs/dbraw/zinc/70/71/63/658707163.db2.gz GKSAWRLLGMDOGA-JZXOWHBKSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392012 658707167 /nfs/dbraw/zinc/70/71/67/658707167.db2.gz GKSAWRLLGMDOGA-JZXOWHBKSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000972392012 658707173 /nfs/dbraw/zinc/70/71/73/658707173.db2.gz GKSAWRLLGMDOGA-JZXOWHBKSA-N 2 2 319.449 0.653 20 30 DCEDLP C#CC[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000999213481 665602692 /nfs/dbraw/zinc/60/26/92/665602692.db2.gz DSZJXGLVRNYKAX-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430790 658758501 /nfs/dbraw/zinc/75/85/01/658758501.db2.gz JXTXWWJHKKKVOI-WBVHZDCISA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972430790 658758503 /nfs/dbraw/zinc/75/85/03/658758503.db2.gz JXTXWWJHKKKVOI-WBVHZDCISA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970324995 658862851 /nfs/dbraw/zinc/86/28/51/658862851.db2.gz BSTHETBBVMRLNL-ZBFHGGJFSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970324995 658862854 /nfs/dbraw/zinc/86/28/54/658862854.db2.gz BSTHETBBVMRLNL-ZBFHGGJFSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000999496395 665650059 /nfs/dbraw/zinc/65/00/59/665650059.db2.gz ASWOCFNMFSMMLD-UHFFFAOYSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028713448 661776965 /nfs/dbraw/zinc/77/69/65/661776965.db2.gz LLQXWGPDDKFJMD-SJORKVTESA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC001028713448 661776967 /nfs/dbraw/zinc/77/69/67/661776967.db2.gz LLQXWGPDDKFJMD-SJORKVTESA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001028713448 661776970 /nfs/dbraw/zinc/77/69/70/661776970.db2.gz LLQXWGPDDKFJMD-SJORKVTESA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001028713448 661776971 /nfs/dbraw/zinc/77/69/71/661776971.db2.gz LLQXWGPDDKFJMD-SJORKVTESA-N 2 2 319.449 0.559 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001029342313 662111224 /nfs/dbraw/zinc/11/12/24/662111224.db2.gz JCSHUOIBTLTSOW-WCVJEAGWSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001029342313 662111225 /nfs/dbraw/zinc/11/12/25/662111225.db2.gz JCSHUOIBTLTSOW-WCVJEAGWSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)O ZINC001029342313 662111226 /nfs/dbraw/zinc/11/12/26/662111226.db2.gz JCSHUOIBTLTSOW-WCVJEAGWSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)O ZINC001029342313 662111227 /nfs/dbraw/zinc/11/12/27/662111227.db2.gz JCSHUOIBTLTSOW-WCVJEAGWSA-N 2 2 305.422 0.140 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900474288 663250114 /nfs/dbraw/zinc/25/01/14/663250114.db2.gz NSLPJOBMCIXQTQ-UHFFFAOYSA-N 2 2 303.410 0.226 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000913518981 664337800 /nfs/dbraw/zinc/33/78/00/664337800.db2.gz IQWFAZWKBFWNAW-KRWDZBQOSA-N 2 2 315.417 0.569 20 30 DCEDLP C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000732779473 664960617 /nfs/dbraw/zinc/96/06/17/664960617.db2.gz SYBXILJRAXHGRZ-HNNXBMFYSA-N 2 2 312.417 0.961 20 30 DCEDLP C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1 ZINC000732779473 664960619 /nfs/dbraw/zinc/96/06/19/664960619.db2.gz SYBXILJRAXHGRZ-HNNXBMFYSA-N 2 2 312.417 0.961 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCn3cccn3)C2)CC1 ZINC001031434962 665149717 /nfs/dbraw/zinc/14/97/17/665149717.db2.gz LFMULPPUNSAEGS-UHFFFAOYSA-N 2 2 315.421 0.029 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001032827150 666207173 /nfs/dbraw/zinc/20/71/73/666207173.db2.gz KDOQPRQQWLFMPK-ULQDDVLXSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001032827150 666207175 /nfs/dbraw/zinc/20/71/75/666207175.db2.gz KDOQPRQQWLFMPK-ULQDDVLXSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001032827150 666207176 /nfs/dbraw/zinc/20/71/76/666207176.db2.gz KDOQPRQQWLFMPK-ULQDDVLXSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H]2CCCO2)C1 ZINC001032827150 666207178 /nfs/dbraw/zinc/20/71/78/666207178.db2.gz KDOQPRQQWLFMPK-ULQDDVLXSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001035421433 667327975 /nfs/dbraw/zinc/32/79/75/667327975.db2.gz AOFCOFPSYLYWCR-GOEBONIOSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001035421433 667327977 /nfs/dbraw/zinc/32/79/77/667327977.db2.gz AOFCOFPSYLYWCR-GOEBONIOSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001035539260 667366199 /nfs/dbraw/zinc/36/61/99/667366199.db2.gz FRJGMCMOVHLPCZ-OAHLLOKOSA-N 2 2 321.425 0.061 20 30 DCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001035539260 667366201 /nfs/dbraw/zinc/36/62/01/667366201.db2.gz FRJGMCMOVHLPCZ-OAHLLOKOSA-N 2 2 321.425 0.061 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000884227168 667504171 /nfs/dbraw/zinc/50/41/71/667504171.db2.gz JVPBQRICBKPHLA-CABCVRRESA-N 2 2 323.437 0.767 20 30 DCEDLP C=CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923308729 667504312 /nfs/dbraw/zinc/50/43/12/667504312.db2.gz FTZDPOGIQVBGBR-OLZOCXBDSA-N 2 2 300.424 0.040 20 30 DCEDLP C=CC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000923308729 667504316 /nfs/dbraw/zinc/50/43/16/667504316.db2.gz FTZDPOGIQVBGBR-OLZOCXBDSA-N 2 2 300.424 0.040 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000884394395 667536798 /nfs/dbraw/zinc/53/67/98/667536798.db2.gz DZHOFAWUAMWQMX-GJZGRUSLSA-N 2 2 323.437 0.671 20 30 DCEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000886285616 667751774 /nfs/dbraw/zinc/75/17/74/667751774.db2.gz NYTHNEIRMXVBKR-JKSUJKDBSA-N 2 2 307.438 0.962 20 30 DCEDLP N#CC1(C[C@@H](O)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CCC1 ZINC000886285616 667751776 /nfs/dbraw/zinc/75/17/76/667751776.db2.gz NYTHNEIRMXVBKR-JKSUJKDBSA-N 2 2 307.438 0.962 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000760895510 668292818 /nfs/dbraw/zinc/29/28/18/668292818.db2.gz SCVJALDNOSRXTM-HNNXBMFYSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000760895510 668292821 /nfs/dbraw/zinc/29/28/21/668292821.db2.gz SCVJALDNOSRXTM-HNNXBMFYSA-N 2 2 307.438 0.436 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000876903133 668532315 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C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801116083 670112324 /nfs/dbraw/zinc/11/23/24/670112324.db2.gz ITZWQOLCJWBMMU-SJORKVTESA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801116083 670112328 /nfs/dbraw/zinc/11/23/28/670112328.db2.gz ITZWQOLCJWBMMU-SJORKVTESA-N 2 2 319.449 0.655 20 30 DCEDLP C#CCC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949533877 670363948 /nfs/dbraw/zinc/36/39/48/670363948.db2.gz JCGBVOQMDSFYLC-UHFFFAOYSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CCC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949533877 670363950 /nfs/dbraw/zinc/36/39/50/670363950.db2.gz JCGBVOQMDSFYLC-UHFFFAOYSA-N 2 2 316.405 0.600 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000854094463 670523822 /nfs/dbraw/zinc/52/38/22/670523822.db2.gz RCKHAKZCFNLVKD-CABCVRRESA-N 2 2 310.442 0.350 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000854094463 670523824 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DCEDLP C[C@@H]1C[N@H+](CCN(C)C(=O)C#CC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000852884759 671185699 /nfs/dbraw/zinc/18/56/99/671185699.db2.gz KHQBZFHMFPDOCN-GASCZTMLSA-N 2 2 307.438 0.557 20 30 DCEDLP CC(C)C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+](C)C ZINC000303777041 685206922 /nfs/dbraw/zinc/20/69/22/685206922.db2.gz IKIYJCJUQRSQCK-HNNXBMFYSA-N 3 2 313.490 0.589 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000303773976 685207015 /nfs/dbraw/zinc/20/70/15/685207015.db2.gz FQOQLJTZVGSTJF-AVGNSLFASA-N 2 2 300.447 0.813 20 30 DCEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960522319 688403928 /nfs/dbraw/zinc/40/39/28/688403928.db2.gz UXIOLZZOCRZVDS-FICVDOATSA-N 2 2 300.406 0.996 20 30 DCEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960522319 688403931 /nfs/dbraw/zinc/40/39/31/688403931.db2.gz UXIOLZZOCRZVDS-FICVDOATSA-N 2 2 300.406 0.996 20 30 DCEDLP 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LBPSKWJQJBRVIC-HUBLWGQQSA-N 2 2 301.394 0.660 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407536 694890279 /nfs/dbraw/zinc/89/02/79/694890279.db2.gz GQHHPRFEXBEKFH-CVEARBPZSA-N 2 2 307.438 0.960 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407536 694890280 /nfs/dbraw/zinc/89/02/80/694890280.db2.gz GQHHPRFEXBEKFH-CVEARBPZSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643818 694965904 /nfs/dbraw/zinc/96/59/04/694965904.db2.gz MXMASXCQRUMPRD-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643818 694965905 /nfs/dbraw/zinc/96/59/05/694965905.db2.gz MXMASXCQRUMPRD-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643818 694965906 /nfs/dbraw/zinc/96/59/06/694965906.db2.gz MXMASXCQRUMPRD-ARFHVFGLSA-N 2 2 307.438 0.816 20 30 DCEDLP 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1161299853 /nfs/dbraw/zinc/29/98/53/1161299853.db2.gz CACQXSRMVAESQY-WBVHZDCISA-N 2 2 307.438 0.436 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647247357 1172763248 /nfs/dbraw/zinc/76/32/48/1172763248.db2.gz FLOGWPLDPNULHL-OWCLPIDISA-N 2 2 313.405 0.664 20 30 DCEDLP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647247357 1172763253 /nfs/dbraw/zinc/76/32/53/1172763253.db2.gz FLOGWPLDPNULHL-OWCLPIDISA-N 2 2 313.405 0.664 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001667905592 1174732437 /nfs/dbraw/zinc/73/24/37/1174732437.db2.gz XRSCXZJGBSCFLQ-OAHLLOKOSA-N 2 2 316.405 0.828 20 30 DCEDLP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001669833921 1174955051 /nfs/dbraw/zinc/95/50/51/1174955051.db2.gz ZMLNDNDBJMJAQQ-CABCVRRESA-N 2 2 318.421 0.532 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001669833921 1174955054 /nfs/dbraw/zinc/95/50/54/1174955054.db2.gz 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20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001713059240 1180654245 /nfs/dbraw/zinc/65/42/45/1180654245.db2.gz AZXHAQCNIRZTNT-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001713059240 1180654248 /nfs/dbraw/zinc/65/42/48/1180654248.db2.gz AZXHAQCNIRZTNT-LSDHHAIUSA-N 2 2 311.426 0.100 20 30 DCEDLP C#CCC[NH+]1CCN(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001713812274 1181088285 /nfs/dbraw/zinc/08/82/85/1181088285.db2.gz TWAFLIGHSVVDFA-INIZCTEOSA-N 2 2 317.437 0.591 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713906192 1181140471 /nfs/dbraw/zinc/14/04/71/1181140471.db2.gz LYVVIDWHWWLRKS-CYBMUJFWSA-N 2 2 322.453 0.209 20 30 DCEDLP COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001713910420 1181144273 /nfs/dbraw/zinc/14/42/73/1181144273.db2.gz CPTWERHCSAVYCO-CALCHBBNSA-N 2 2 319.449 0.653 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001713910420 1181144283 /nfs/dbraw/zinc/14/42/83/1181144283.db2.gz CPTWERHCSAVYCO-CALCHBBNSA-N 2 2 319.449 0.653 20 30 DCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001713950990 1181168797 /nfs/dbraw/zinc/16/87/97/1181168797.db2.gz FGDFRSFBRXMBSD-GJZGRUSLSA-N 2 2 313.417 0.507 20 30 DCEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001713950990 1181168802 /nfs/dbraw/zinc/16/88/02/1181168802.db2.gz FGDFRSFBRXMBSD-GJZGRUSLSA-N 2 2 313.417 0.507 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001713952270 1181168918 /nfs/dbraw/zinc/16/89/18/1181168918.db2.gz CCDXWIZUTAGZMT-KKUMJFAQSA-N 2 2 316.405 0.332 20 30 DCEDLP COCC#CC[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001714148115 1181263510 /nfs/dbraw/zinc/26/35/10/1181263510.db2.gz HDMZBEPOIJDCNB-UHFFFAOYSA-N 2 2 318.421 0.631 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001714308668 1181315033 /nfs/dbraw/zinc/31/50/33/1181315033.db2.gz HRBKFATXLBTTHV-GFCCVEGCSA-N 2 2 318.425 0.053 20 30 DCEDLP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001714969597 1181620581 /nfs/dbraw/zinc/62/05/81/1181620581.db2.gz OSTBZGNLOTUTRG-OAHLLOKOSA-N 2 2 318.421 0.696 20 30 DCEDLP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001715276540 1181748723 /nfs/dbraw/zinc/74/87/23/1181748723.db2.gz IIFUPNKBYHKSLS-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001715276540 1181748729 /nfs/dbraw/zinc/74/87/29/1181748729.db2.gz IIFUPNKBYHKSLS-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001715276540 1181748737 /nfs/dbraw/zinc/74/87/37/1181748737.db2.gz IIFUPNKBYHKSLS-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001715276540 1181748743 /nfs/dbraw/zinc/74/87/43/1181748743.db2.gz IIFUPNKBYHKSLS-CABCVRRESA-N 2 2 311.426 0.100 20 30 DCEDLP 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CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952309 752592311 /nfs/dbraw/zinc/59/23/11/752592311.db2.gz AITVULCGOADRBH-LZLYRXPVSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952309 752592316 /nfs/dbraw/zinc/59/23/16/752592316.db2.gz AITVULCGOADRBH-LZLYRXPVSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952309 752592322 /nfs/dbraw/zinc/59/23/22/752592322.db2.gz AITVULCGOADRBH-LZLYRXPVSA-N 2 2 321.465 0.947 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952309 752592326 /nfs/dbraw/zinc/59/23/26/752592326.db2.gz AITVULCGOADRBH-LZLYRXPVSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+]([C@H](C)COC)C2)CC1 ZINC001044335968 752696132 /nfs/dbraw/zinc/69/61/32/752696132.db2.gz SWXWIJSBNOTTAW-CQSZACIVSA-N 2 2 307.438 0.509 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224254 753129389 /nfs/dbraw/zinc/12/93/89/753129389.db2.gz ALDKWMFHBFJUQT-IAGOWNOFSA-N 2 2 315.417 0.546 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224254 753129396 /nfs/dbraw/zinc/12/93/96/753129396.db2.gz ALDKWMFHBFJUQT-IAGOWNOFSA-N 2 2 315.417 0.546 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047408567 754256498 /nfs/dbraw/zinc/25/64/98/754256498.db2.gz ZMSKHBYTXJGBDH-KKUMJFAQSA-N 2 2 318.421 0.840 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001047408567 754256503 /nfs/dbraw/zinc/25/65/03/754256503.db2.gz ZMSKHBYTXJGBDH-KKUMJFAQSA-N 2 2 318.421 0.840 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431860 754275040 /nfs/dbraw/zinc/27/50/40/754275040.db2.gz IZCOFCNRXRDTQY-KBMXLJTQSA-N 2 2 318.421 0.525 20 30 DCEDLP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001047431860 754275044 /nfs/dbraw/zinc/27/50/44/754275044.db2.gz IZCOFCNRXRDTQY-KBMXLJTQSA-N 2 2 318.421 0.525 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053190392 755949554 /nfs/dbraw/zinc/94/95/54/755949554.db2.gz SWFWJYHVOBWBQY-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053190392 755949559 /nfs/dbraw/zinc/94/95/59/755949559.db2.gz SWFWJYHVOBWBQY-HNNXBMFYSA-N 2 2 307.438 0.960 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318234 756172917 /nfs/dbraw/zinc/17/29/17/756172917.db2.gz LFQIWTLOVHTNPN-BZUAXINKSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318234 756172921 /nfs/dbraw/zinc/17/29/21/756172921.db2.gz LFQIWTLOVHTNPN-BZUAXINKSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080318234 756172924 /nfs/dbraw/zinc/17/29/24/756172924.db2.gz LFQIWTLOVHTNPN-BZUAXINKSA-N 2 2 307.438 0.555 20 30 DCEDLP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080318234 756172928 /nfs/dbraw/zinc/17/29/28/756172928.db2.gz LFQIWTLOVHTNPN-BZUAXINKSA-N 2 2 307.438 0.555 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC[NH+]1CCC3)CO2 ZINC001053857292 756244161 /nfs/dbraw/zinc/24/41/61/756244161.db2.gz AQOKROPWTLBUDD-HNNXBMFYSA-N 2 2 317.433 0.598 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053926174 756282136 /nfs/dbraw/zinc/28/21/36/756282136.db2.gz XUPGMDVAYLTOCK-GJZGRUSLSA-N 2 2 307.438 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053926174 756282142 /nfs/dbraw/zinc/28/21/42/756282142.db2.gz XUPGMDVAYLTOCK-GJZGRUSLSA-N 2 2 307.438 0.864 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880316 756834236 /nfs/dbraw/zinc/83/42/36/756834236.db2.gz WBDHYSSYPPVBIX-HUUCEWRRSA-N 2 2 320.393 0.189 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880316 756834241 /nfs/dbraw/zinc/83/42/41/756834241.db2.gz WBDHYSSYPPVBIX-HUUCEWRRSA-N 2 2 320.393 0.189 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001081844156 756841082 /nfs/dbraw/zinc/84/10/82/756841082.db2.gz CAPWJTWCPQVEFN-HUUCEWRRSA-N 2 2 318.421 0.765 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001081844156 756841086 /nfs/dbraw/zinc/84/10/86/756841086.db2.gz CAPWJTWCPQVEFN-HUUCEWRRSA-N 2 2 318.421 0.765 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001082122902 756929524 /nfs/dbraw/zinc/92/95/24/756929524.db2.gz KTXUXDYZOUROPD-BPLDGKMQSA-N 2 2 316.405 0.668 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001082122902 756929527 /nfs/dbraw/zinc/92/95/27/756929527.db2.gz KTXUXDYZOUROPD-BPLDGKMQSA-N 2 2 316.405 0.668 20 30 DCEDLP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001050183624 757463779 /nfs/dbraw/zinc/46/37/79/757463779.db2.gz KIOXDBJIVRXUIQ-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001050183624 757463784 /nfs/dbraw/zinc/46/37/84/757463784.db2.gz KIOXDBJIVRXUIQ-GOEBONIOSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168811 757542180 /nfs/dbraw/zinc/54/21/80/757542180.db2.gz NRERXXPHHVRJQD-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168811 757542184 /nfs/dbraw/zinc/54/21/84/757542184.db2.gz NRERXXPHHVRJQD-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168811 757542189 /nfs/dbraw/zinc/54/21/89/757542189.db2.gz NRERXXPHHVRJQD-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168811 757542195 /nfs/dbraw/zinc/54/21/95/757542195.db2.gz NRERXXPHHVRJQD-HRCADAONSA-N 2 2 305.422 0.406 20 30 DCEDLP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398479 757882152 /nfs/dbraw/zinc/88/21/52/757882152.db2.gz CSNWENCUEZLSLM-HOTGVXAUSA-N 2 2 312.373 0.523 20 30 DCEDLP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398479 757882166 /nfs/dbraw/zinc/88/21/66/757882166.db2.gz CSNWENCUEZLSLM-HOTGVXAUSA-N 2 2 312.373 0.523 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC001051254148 758548076 /nfs/dbraw/zinc/54/80/76/758548076.db2.gz FPGALWDELKSGAL-QGZVFWFLSA-N 2 2 321.465 0.949 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2CCCC)CC1 ZINC001051254148 758548078 /nfs/dbraw/zinc/54/80/78/758548078.db2.gz FPGALWDELKSGAL-QGZVFWFLSA-N 2 2 321.465 0.949 20 30 DCEDLP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052045133 759138914 /nfs/dbraw/zinc/13/89/14/759138914.db2.gz QBKYOGGFJSNQPG-SJORKVTESA-N 2 2 320.481 0.875 20 30 DCEDLP C=CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052045133 759138918 /nfs/dbraw/zinc/13/89/18/759138918.db2.gz QBKYOGGFJSNQPG-SJORKVTESA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001052045133 759138923 /nfs/dbraw/zinc/13/89/23/759138923.db2.gz QBKYOGGFJSNQPG-SJORKVTESA-N 2 2 320.481 0.875 20 30 DCEDLP C=CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001052045133 759138928 /nfs/dbraw/zinc/13/89/28/759138928.db2.gz QBKYOGGFJSNQPG-SJORKVTESA-N 2 2 320.481 0.875 20 30 DCEDLP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085685394 759195176 /nfs/dbraw/zinc/19/51/76/759195176.db2.gz QCBWLLVZHUHIMB-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085685394 759195180 /nfs/dbraw/zinc/19/51/80/759195180.db2.gz QCBWLLVZHUHIMB-ZDUSSCGKSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001115306662 760960304 /nfs/dbraw/zinc/96/03/04/760960304.db2.gz SMOHLRLEDIQXSK-JJXSEGSLSA-N 2 2 300.406 0.917 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001115306662 760960309 /nfs/dbraw/zinc/96/03/09/760960309.db2.gz SMOHLRLEDIQXSK-JJXSEGSLSA-N 2 2 300.406 0.917 20 30 DCEDLP COCC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769246 761039638 /nfs/dbraw/zinc/03/96/38/761039638.db2.gz MLNASNYIAXJATJ-LZWOXQAQSA-N 2 2 316.405 0.571 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001086532404 761613041 /nfs/dbraw/zinc/61/30/41/761613041.db2.gz SXSUBBUBVBIKJB-HDJSIYSDSA-N 2 2 309.373 0.999 20 30 DCEDLP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245592 761734223 /nfs/dbraw/zinc/73/42/23/761734223.db2.gz GHHSXFPNSVLENU-RDJZCZTQSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071245592 761734230 /nfs/dbraw/zinc/73/42/30/761734230.db2.gz GHHSXFPNSVLENU-RDJZCZTQSA-N 2 2 316.405 0.598 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001129771505 763008424 /nfs/dbraw/zinc/00/84/24/763008424.db2.gz ZWGGFMLITIMFLH-HNNXBMFYSA-N 2 2 301.394 0.088 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001129771505 763008431 /nfs/dbraw/zinc/00/84/31/763008431.db2.gz ZWGGFMLITIMFLH-HNNXBMFYSA-N 2 2 301.394 0.088 20 30 DCEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1=O ZINC001129891419 763034597 /nfs/dbraw/zinc/03/45/97/763034597.db2.gz LKZDHVOUSBBHBW-JHJVBQTASA-N 2 2 317.393 0.006 20 30 DCEDLP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138443 763343768 /nfs/dbraw/zinc/34/37/68/763343768.db2.gz IMXBWZZOHDNIQZ-HUUCEWRRSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138443 763343773 /nfs/dbraw/zinc/34/37/73/763343773.db2.gz IMXBWZZOHDNIQZ-HUUCEWRRSA-N 2 2 304.394 0.238 20 30 DCEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001100458184 763588792 /nfs/dbraw/zinc/58/87/92/763588792.db2.gz RJVVNFJXDPJVOT-SHARSMKWSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)c1nccn12 ZINC001101639786 764213013 /nfs/dbraw/zinc/21/30/13/764213013.db2.gz NIJIPMBWNKDFPS-CQSZACIVSA-N 2 2 317.437 0.983 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134235777 765415721 /nfs/dbraw/zinc/41/57/21/765415721.db2.gz UMQIEVPAXARJKQ-OLZOCXBDSA-N 2 2 321.425 0.517 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134521694 765550239 /nfs/dbraw/zinc/55/02/39/765550239.db2.gz NIPLOXGLWHPUBP-QWHCGFSZSA-N 2 2 307.398 0.231 20 30 DCEDLP C#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090524173 766052136 /nfs/dbraw/zinc/05/21/36/766052136.db2.gz XBZNSJPGBITJLZ-UONOGXRCSA-N 2 2 305.378 0.139 20 30 DCEDLP C#CC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090524173 766052145 /nfs/dbraw/zinc/05/21/45/766052145.db2.gz XBZNSJPGBITJLZ-UONOGXRCSA-N 2 2 305.378 0.139 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001091164582 766975012 /nfs/dbraw/zinc/97/50/12/766975012.db2.gz RSZYKSMUWGGYGQ-OFLPRAFFSA-N 2 2 319.449 0.605 20 30 DCEDLP C#CC[NH2+]C1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001091164582 766975021 /nfs/dbraw/zinc/97/50/21/766975021.db2.gz RSZYKSMUWGGYGQ-OFLPRAFFSA-N 2 2 319.449 0.605 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC001094278427 768945995 /nfs/dbraw/zinc/94/59/95/768945995.db2.gz HAPUVFGTSDOVIM-HNNXBMFYSA-N 2 2 318.425 0.421 20 30 DCEDLP C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC001094278427 768946002 /nfs/dbraw/zinc/94/60/02/768946002.db2.gz HAPUVFGTSDOVIM-HNNXBMFYSA-N 2 2 318.425 0.421 20 30 DCEDLP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722922 769169820 /nfs/dbraw/zinc/16/98/20/769169820.db2.gz IPOSYHSKGZGVBL-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395177 769835114 /nfs/dbraw/zinc/83/51/14/769835114.db2.gz WOLAGYWIBLCMLT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235395177 769835127 /nfs/dbraw/zinc/83/51/27/769835127.db2.gz WOLAGYWIBLCMLT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235395177 769835142 /nfs/dbraw/zinc/83/51/42/769835142.db2.gz WOLAGYWIBLCMLT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235395177 769835158 /nfs/dbraw/zinc/83/51/58/769835158.db2.gz WOLAGYWIBLCMLT-MRXNPFEDSA-N 2 2 307.438 0.653 20 30 DCEDLP C[N@@H+]1CCO[C@@H](CNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001155192951 770425461 /nfs/dbraw/zinc/42/54/61/770425461.db2.gz AFZQVJIIXMKCOB-ZDUSSCGKSA-N 2 2 301.394 0.732 20 30 DCEDLP C[N@H+]1CCO[C@@H](CNc2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001155192951 770425466 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C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001165849415 772767458 /nfs/dbraw/zinc/76/74/58/772767458.db2.gz RGTRMZBONXZFBI-AWEZNQCLSA-N 2 2 300.406 0.955 20 30 DCEDLP C#CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001206602216 773092875 /nfs/dbraw/zinc/09/28/75/773092875.db2.gz GHKOQPDHULALJP-UHFFFAOYSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001196340129 773579252 /nfs/dbraw/zinc/57/92/52/773579252.db2.gz FEBQZZJVYQUONG-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196340129 773579256 /nfs/dbraw/zinc/57/92/56/773579256.db2.gz FEBQZZJVYQUONG-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196340129 773579261 /nfs/dbraw/zinc/57/92/61/773579261.db2.gz FEBQZZJVYQUONG-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196340129 773579266 /nfs/dbraw/zinc/57/92/66/773579266.db2.gz FEBQZZJVYQUONG-UHFFFAOYSA-N 2 2 322.453 0.000 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197831675 773803448 /nfs/dbraw/zinc/80/34/48/773803448.db2.gz BWTMBWSGCITOAE-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197831675 773803456 /nfs/dbraw/zinc/80/34/56/773803456.db2.gz BWTMBWSGCITOAE-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197831675 773803463 /nfs/dbraw/zinc/80/34/63/773803463.db2.gz BWTMBWSGCITOAE-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197831675 773803470 /nfs/dbraw/zinc/80/34/70/773803470.db2.gz BWTMBWSGCITOAE-HNNXBMFYSA-N 2 2 322.453 0.165 20 30 DCEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCO1 ZINC001200843110 774415334 /nfs/dbraw/zinc/41/53/34/774415334.db2.gz XQMVEXSGSZPSTE-HUUCEWRRSA-N 2 2 318.421 0.839 20 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775255027 /nfs/dbraw/zinc/25/50/27/775255027.db2.gz WFNAWIUHOYCXHP-HUUCEWRRSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222050199 775255032 /nfs/dbraw/zinc/25/50/32/775255032.db2.gz WFNAWIUHOYCXHP-HUUCEWRRSA-N 2 2 322.453 0.162 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222050199 775255035 /nfs/dbraw/zinc/25/50/35/775255035.db2.gz WFNAWIUHOYCXHP-HUUCEWRRSA-N 2 2 322.453 0.162 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnsn2)CC1 ZINC001317670140 945158383 /nfs/dbraw/zinc/15/83/83/945158383.db2.gz PYWONGINTBIESL-UHFFFAOYSA-N 2 2 321.450 0.431 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266553404 939162046 /nfs/dbraw/zinc/16/20/46/939162046.db2.gz KZXYGFPMSOCLOA-STQMWFEESA-N 2 2 319.409 0.081 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cscn1 ZINC001266731319 939223471 /nfs/dbraw/zinc/22/34/71/939223471.db2.gz ZSDKIYHAMGEWRD-AWEZNQCLSA-N 2 2 306.435 0.789 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cscn1 ZINC001266731319 939223476 /nfs/dbraw/zinc/22/34/76/939223476.db2.gz ZSDKIYHAMGEWRD-AWEZNQCLSA-N 2 2 306.435 0.789 20 30 DCEDLP C=CCC[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001267576969 939522273 /nfs/dbraw/zinc/52/22/73/939522273.db2.gz CJIGDJYKHTZTIL-UHFFFAOYSA-N 2 2 305.426 0.535 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001271166498 941306893 /nfs/dbraw/zinc/30/68/93/941306893.db2.gz CTJXUAIIJIGMHX-KRWDZBQOSA-N 2 2 312.373 0.524 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001271166498 941306897 /nfs/dbraw/zinc/30/68/97/941306897.db2.gz CTJXUAIIJIGMHX-KRWDZBQOSA-N 2 2 312.373 0.524 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484274113 943281087 /nfs/dbraw/zinc/28/10/87/943281087.db2.gz YWPUBVDNNVYRLJ-UHFFFAOYSA-N 2 2 307.438 0.437 20 30 DCEDLP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484850311 943597072 /nfs/dbraw/zinc/59/70/72/943597072.db2.gz FVDSESSLYGGBLM-MRXNPFEDSA-N 2 2 306.410 0.862 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001484963529 943634365 /nfs/dbraw/zinc/63/43/65/943634365.db2.gz QHTOOUGVGJMSNU-UHFFFAOYSA-N 2 2 318.421 0.654 20 30 DCEDLP COCC#CC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001485518174 943980135 /nfs/dbraw/zinc/98/01/35/943980135.db2.gz OWHRMPGFNOBMHG-AWEZNQCLSA-N 2 2 304.394 0.360 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001491525623 944075485 /nfs/dbraw/zinc/07/54/85/944075485.db2.gz QLFGYLYYQSVZBS-GFCCVEGCSA-N 2 2 315.377 0.344 20 30 DCEDLP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001485688013 944082340 /nfs/dbraw/zinc/08/23/40/944082340.db2.gz VCWCNFXVGDTSAB-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001276589680 944225190 /nfs/dbraw/zinc/22/51/90/944225190.db2.gz RWYKDAROHIUTFM-HOTGVXAUSA-N 2 2 315.421 0.908 20 30 DCEDLP C#CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001276589680 944225198 /nfs/dbraw/zinc/22/51/98/944225198.db2.gz RWYKDAROHIUTFM-HOTGVXAUSA-N 2 2 315.421 0.908 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001486114998 944573482 /nfs/dbraw/zinc/57/34/82/944573482.db2.gz PUCRKWHVUXBZIE-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001317018520 944741900 /nfs/dbraw/zinc/74/19/00/944741900.db2.gz JSSQDXOXSSFWJR-ZBFHGGJFSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001317259938 944884424 /nfs/dbraw/zinc/88/44/24/944884424.db2.gz UUPMXKHIEUUFRH-DOMZBBRYSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001317259938 944884435 /nfs/dbraw/zinc/88/44/35/944884435.db2.gz UUPMXKHIEUUFRH-DOMZBBRYSA-N 2 2 318.421 0.983 20 30 DCEDLP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001318701583 945428486 /nfs/dbraw/zinc/42/84/86/945428486.db2.gz LIQKXBBJJKKNIE-GUYCJALGSA-N 2 2 300.406 0.953 20 30 DCEDLP C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001319309254 945551558 /nfs/dbraw/zinc/55/15/58/945551558.db2.gz POVGIESJMQPOJU-KGLIPLIRSA-N 2 2 301.406 0.669 20 30 DCEDLP C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001319309254 945551563 /nfs/dbraw/zinc/55/15/63/945551563.db2.gz POVGIESJMQPOJU-KGLIPLIRSA-N 2 2 301.406 0.669 20 30 DCEDLP C=CCC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320233506 945779399 /nfs/dbraw/zinc/77/93/99/945779399.db2.gz RCXVMCHVBTWONX-CQSZACIVSA-N 2 2 306.410 0.405 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@H+](CC)[C@H]2CCOC2)CC1 ZINC001251851297 945798368 /nfs/dbraw/zinc/79/83/68/945798368.db2.gz IJTSGZPNFWDXCZ-DLBZAZTESA-N 2 2 310.438 0.572 20 30 DCEDLP C#CCOC[C@H](O)C[NH+]1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001251851297 945798379 /nfs/dbraw/zinc/79/83/79/945798379.db2.gz IJTSGZPNFWDXCZ-DLBZAZTESA-N 2 2 310.438 0.572 20 30 DCEDLP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273277391 946414861 /nfs/dbraw/zinc/41/48/61/946414861.db2.gz SXTYZKFMGOYFTO-HOTGVXAUSA-N 2 2 318.421 0.921 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617467 947876112 /nfs/dbraw/zinc/87/61/12/947876112.db2.gz HIZJCOJRVUHZKU-OBJOEFQTSA-N 2 2 319.409 0.222 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@]3(C2)CN(CCCC#N)C(=O)CO3)CC1 ZINC001273826453 948306169 /nfs/dbraw/zinc/30/61/69/948306169.db2.gz FMXCFHTUVYPXTP-QGZVFWFLSA-N 2 2 320.437 0.688 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@]3(C2)CN(CCCC#N)C(=O)CO3)CC1 ZINC001273826453 948306174 /nfs/dbraw/zinc/30/61/74/948306174.db2.gz FMXCFHTUVYPXTP-QGZVFWFLSA-N 2 2 320.437 0.688 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001327143553 948406760 /nfs/dbraw/zinc/40/67/60/948406760.db2.gz SAZBRAKYHLBJOF-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001327143553 948406766 /nfs/dbraw/zinc/40/67/66/948406766.db2.gz SAZBRAKYHLBJOF-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C=C[C@@H](O)C[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273885767 948654870 /nfs/dbraw/zinc/65/48/70/948654870.db2.gz RNGZXGBYPRVHIB-GDBMZVCRSA-N 2 2 304.394 0.534 20 30 DCEDLP C=C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273885767 948654872 /nfs/dbraw/zinc/65/48/72/948654872.db2.gz RNGZXGBYPRVHIB-GDBMZVCRSA-N 2 2 304.394 0.534 20 30 DCEDLP C=C[C@H](O)C[NH+]1CCC2(CCN(Cc3c[nH+]cn3C)C2=O)CC1 ZINC001273884386 948657829 /nfs/dbraw/zinc/65/78/29/948657829.db2.gz HGCIIKKJRBHTIN-HNNXBMFYSA-N 2 2 318.421 0.782 20 30 DCEDLP C#CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264634154 949037397 /nfs/dbraw/zinc/03/73/97/949037397.db2.gz KKERGCHWATUPIU-CQSZACIVSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264634154 949037413 /nfs/dbraw/zinc/03/74/13/949037413.db2.gz KKERGCHWATUPIU-CQSZACIVSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330169636 950166831 /nfs/dbraw/zinc/16/68/31/950166831.db2.gz BIIGCFLTBIIRNO-SFHVURJKSA-N 2 2 319.449 0.799 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330169636 950166840 /nfs/dbraw/zinc/16/68/40/950166840.db2.gz BIIGCFLTBIIRNO-SFHVURJKSA-N 2 2 319.449 0.799 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265990536 950237865 /nfs/dbraw/zinc/23/78/65/950237865.db2.gz QRPIAXJSDNVHMV-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001490440775 950669415 /nfs/dbraw/zinc/66/94/15/950669415.db2.gz XQSUHNILKXAPLE-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001490440775 950669425 /nfs/dbraw/zinc/66/94/25/950669425.db2.gz XQSUHNILKXAPLE-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001490440775 950669431 /nfs/dbraw/zinc/66/94/31/950669431.db2.gz XQSUHNILKXAPLE-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001490440775 950669438 /nfs/dbraw/zinc/66/94/38/950669438.db2.gz XQSUHNILKXAPLE-CQSZACIVSA-N 2 2 322.453 0.354 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001280596805 950977050 /nfs/dbraw/zinc/97/70/50/950977050.db2.gz UFNJPVQZSUDQLE-MGPQQGTHSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001280596805 950977069 /nfs/dbraw/zinc/97/70/69/950977069.db2.gz UFNJPVQZSUDQLE-MGPQQGTHSA-N 2 2 304.394 0.906 20 30 DCEDLP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+]1CCOCC1)CO2 ZINC001280961882 951188865 /nfs/dbraw/zinc/18/88/65/951188865.db2.gz LUVYLNBEZIWUPB-OAHLLOKOSA-N 2 2 323.437 0.244 20 30 DCEDLP C#CC[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001274565343 951701528 /nfs/dbraw/zinc/70/15/28/951701528.db2.gz JYPNARHFLNEPJR-CQSZACIVSA-N 2 2 304.394 0.411 20 30 DCEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274655890 951771086 /nfs/dbraw/zinc/77/10/86/951771086.db2.gz LGHZZBLUWVEYCT-ARFHVFGLSA-N 2 2 307.438 0.388 20 30 DCEDLP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C[NH+](CC)CC ZINC001274655890 951771092 /nfs/dbraw/zinc/77/10/92/951771092.db2.gz LGHZZBLUWVEYCT-ARFHVFGLSA-N 2 2 307.438 0.388 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001274818969 951850258 /nfs/dbraw/zinc/85/02/58/951850258.db2.gz SNMMOFNQXBLTFH-KGLIPLIRSA-N 2 2 306.410 0.742 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001275805917 952470157 /nfs/dbraw/zinc/47/01/57/952470157.db2.gz LMMVCMNSTJHJEV-LSDHHAIUSA-N 2 2 318.421 0.867 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@@H]3CCC[N@@H+](C)C3)n2CC)CC1 ZINC001341147176 953212894 /nfs/dbraw/zinc/21/28/94/953212894.db2.gz QRTUQKWUUVUSLB-OAHLLOKOSA-N 2 2 316.453 0.862 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC001341672939 953244920 /nfs/dbraw/zinc/24/49/20/953244920.db2.gz QGOOEOGRAWFJNE-OAHLLOKOSA-N 2 2 315.417 0.746 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC001341672939 953244923 /nfs/dbraw/zinc/24/49/23/953244923.db2.gz QGOOEOGRAWFJNE-OAHLLOKOSA-N 2 2 315.417 0.746 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC001344435346 953481139 /nfs/dbraw/zinc/48/11/39/953481139.db2.gz GYHOUCVPDCULAD-QGZVFWFLSA-N 2 2 315.417 0.535 20 30 DCEDLP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC001344435346 953481144 /nfs/dbraw/zinc/48/11/44/953481144.db2.gz GYHOUCVPDCULAD-QGZVFWFLSA-N 2 2 315.417 0.535 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001284415794 955073205 /nfs/dbraw/zinc/07/32/05/955073205.db2.gz DZQXTSKFHNSOKR-OAHLLOKOSA-N 2 2 318.421 0.194 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001381617183 966584662 /nfs/dbraw/zinc/58/46/62/966584662.db2.gz KCHZDAQXLWTYRY-QWHCGFSZSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001381617183 966584671 /nfs/dbraw/zinc/58/46/71/966584671.db2.gz KCHZDAQXLWTYRY-QWHCGFSZSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001381617183 966584675 /nfs/dbraw/zinc/58/46/75/966584675.db2.gz KCHZDAQXLWTYRY-QWHCGFSZSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001381617183 966584680 /nfs/dbraw/zinc/58/46/80/966584680.db2.gz KCHZDAQXLWTYRY-QWHCGFSZSA-N 2 2 303.834 0.896 20 30 DCEDLP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001419099521 1000769150 /nfs/dbraw/zinc/76/91/50/1000769150.db2.gz YXQNBHKUOUDFFK-TZMCWYRMSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001419099521 1000769154 /nfs/dbraw/zinc/76/91/54/1000769154.db2.gz YXQNBHKUOUDFFK-TZMCWYRMSA-N 2 2 315.845 0.898 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001508025896 1016612825 /nfs/dbraw/zinc/61/28/25/1016612825.db2.gz BWFSULCCROMKBM-GFCCVEGCSA-N 2 2 321.425 0.375 20 30 DCEDLP C#CC[N@@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001499538937 1017963835 /nfs/dbraw/zinc/96/38/35/1017963835.db2.gz UIRBIEVYYWTYBR-UHFFFAOYSA-N 2 2 318.421 0.535 20 30 DCEDLP C#CC[N@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001499538937 1017963845 /nfs/dbraw/zinc/96/38/45/1017963845.db2.gz UIRBIEVYYWTYBR-UHFFFAOYSA-N 2 2 318.421 0.535 20 30 DCEDLP COCC#CC[NH2+]C[C@@](C)(NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001495300549 1018454202 /nfs/dbraw/zinc/45/42/02/1018454202.db2.gz ZPGBZXPBVPLUPF-QGZVFWFLSA-N 2 2 318.421 0.785 20 30 DCEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001498026088 1018593561 /nfs/dbraw/zinc/59/35/61/1018593561.db2.gz SUSORSWNEXXHMC-SMDDNHRTSA-N 2 2 322.434 0.545 20 30 DCEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001498026088 1018593571 /nfs/dbraw/zinc/59/35/71/1018593571.db2.gz SUSORSWNEXXHMC-SMDDNHRTSA-N 2 2 322.434 0.545 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001501146248 1018919945 /nfs/dbraw/zinc/91/99/45/1018919945.db2.gz KXLDTTFPEXTTQW-CABCVRRESA-N 2 2 320.437 0.849 20 30 DCEDLP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493153148 1019150055 /nfs/dbraw/zinc/15/00/55/1019150055.db2.gz YLBDBVFQWBYHSI-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493153148 1019150059 /nfs/dbraw/zinc/15/00/59/1019150059.db2.gz YLBDBVFQWBYHSI-AWEZNQCLSA-N 2 2 306.410 0.746 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000491717936 241134390 /nfs/dbraw/zinc/13/43/90/241134390.db2.gz SAOXYCBZDGCSGD-MRXNPFEDSA-N 2 2 306.454 0.036 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000491717936 241134397 /nfs/dbraw/zinc/13/43/97/241134397.db2.gz SAOXYCBZDGCSGD-MRXNPFEDSA-N 2 2 306.454 0.036 20 30 DCEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151187582 395981182 /nfs/dbraw/zinc/98/11/82/395981182.db2.gz BIVRBTAVNFZSLW-UHFFFAOYSA-N 2 2 301.394 0.966 20 30 DCEDLP CN(c1ccnc(C#N)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000594556173 396486827 /nfs/dbraw/zinc/48/68/27/396486827.db2.gz RZRPUZXDUQYDDV-AWEZNQCLSA-N 2 2 300.410 0.953 20 30 DCEDLP CN(c1ccnc(C#N)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000594556173 396486829 /nfs/dbraw/zinc/48/68/29/396486829.db2.gz RZRPUZXDUQYDDV-AWEZNQCLSA-N 2 2 300.410 0.953 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469967 396613639 /nfs/dbraw/zinc/61/36/39/396613639.db2.gz KVJLZZLIBACLDF-CQSZACIVSA-N 2 2 324.425 0.185 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469967 396613640 /nfs/dbraw/zinc/61/36/40/396613640.db2.gz KVJLZZLIBACLDF-CQSZACIVSA-N 2 2 324.425 0.185 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506900 396619727 /nfs/dbraw/zinc/61/97/27/396619727.db2.gz IKNUQLFHKZZPTJ-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506900 396619728 /nfs/dbraw/zinc/61/97/28/396619728.db2.gz IKNUQLFHKZZPTJ-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506900 396619731 /nfs/dbraw/zinc/61/97/31/396619731.db2.gz IKNUQLFHKZZPTJ-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506900 396619733 /nfs/dbraw/zinc/61/97/33/396619733.db2.gz IKNUQLFHKZZPTJ-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP N#Cc1ccsc1N1CC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000610581194 396732686 /nfs/dbraw/zinc/73/26/86/396732686.db2.gz LSZRRCZVODWOMU-FRRDWIJNSA-N 2 2 302.403 0.876 20 30 DCEDLP N#Cc1ccsc1N1CC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000610581194 396732690 /nfs/dbraw/zinc/73/26/90/396732690.db2.gz LSZRRCZVODWOMU-FRRDWIJNSA-N 2 2 302.403 0.876 20 30 DCEDLP Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000590635473 396818560 /nfs/dbraw/zinc/81/85/60/396818560.db2.gz HLYMZNFRLNUSGO-ZDUSSCGKSA-N 2 2 315.421 0.795 20 30 DCEDLP Cn1c(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000590635473 396818562 /nfs/dbraw/zinc/81/85/62/396818562.db2.gz HLYMZNFRLNUSGO-ZDUSSCGKSA-N 2 2 315.421 0.795 20 30 DCEDLP COc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C#N ZINC000571896073 396999065 /nfs/dbraw/zinc/99/90/65/396999065.db2.gz YGPKYEFGGUAOGH-ZIAGYGMSSA-N 2 2 300.362 0.311 20 30 DCEDLP COc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1C#N ZINC000571896073 396999069 /nfs/dbraw/zinc/99/90/69/396999069.db2.gz YGPKYEFGGUAOGH-ZIAGYGMSSA-N 2 2 300.362 0.311 20 30 DCEDLP Cc1cc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c(C#N)c[nH+]1 ZINC000601177836 397016801 /nfs/dbraw/zinc/01/68/01/397016801.db2.gz AFXDUPPDNPFCKM-MRXNPFEDSA-N 2 2 313.405 0.791 20 30 DCEDLP C[N@@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000573667966 397191993 /nfs/dbraw/zinc/19/19/93/397191993.db2.gz GSYZKIVBKJPBQR-OAHLLOKOSA-N 2 2 301.394 0.385 20 30 DCEDLP C[N@H+]1CCN(C(=O)NCCc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000573667966 397191996 /nfs/dbraw/zinc/19/19/96/397191996.db2.gz GSYZKIVBKJPBQR-OAHLLOKOSA-N 2 2 301.394 0.385 20 30 DCEDLP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000602545138 397436931 /nfs/dbraw/zinc/43/69/31/397436931.db2.gz UBKKNQPCRWPDMY-ZDUSSCGKSA-N 2 2 301.394 0.630 20 30 DCEDLP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000602545138 397436935 /nfs/dbraw/zinc/43/69/35/397436935.db2.gz UBKKNQPCRWPDMY-ZDUSSCGKSA-N 2 2 301.394 0.630 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC)C2CCOCC2)CC1 ZINC000490914244 397499135 /nfs/dbraw/zinc/49/91/35/397499135.db2.gz GUYJVSKJEQMOLS-MRXNPFEDSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258102 397765799 /nfs/dbraw/zinc/76/57/99/397765799.db2.gz MARGCUJHBATBHQ-QWHCGFSZSA-N 2 2 305.382 0.920 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258102 397765804 /nfs/dbraw/zinc/76/58/04/397765804.db2.gz MARGCUJHBATBHQ-QWHCGFSZSA-N 2 2 305.382 0.920 20 30 DCEDLP COc1ccc(N2CC[NH+](CCNC3=[NH+]C[C@H](C)N3)CC2)cc1 ZINC000285192378 415610376 /nfs/dbraw/zinc/61/03/76/415610376.db2.gz VMQGHMCHYWZNRX-AWEZNQCLSA-N 2 2 317.437 0.755 20 30 DCEDLP C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000329001257 416143907 /nfs/dbraw/zinc/14/39/07/416143907.db2.gz VWHODDAIMXCNPI-GFCCVEGCSA-N 2 2 301.456 0.837 20 30 DCEDLP C[C@H](O)C[NH+]1CCN(C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000329519947 416174739 /nfs/dbraw/zinc/17/47/39/416174739.db2.gz FHLRKEQVNAHVHU-STQMWFEESA-N 2 2 307.398 0.110 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000491386747 416598027 /nfs/dbraw/zinc/59/80/27/416598027.db2.gz WAVHQXAIYVTKIX-SJORKVTESA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000491386747 416598030 /nfs/dbraw/zinc/59/80/30/416598030.db2.gz WAVHQXAIYVTKIX-SJORKVTESA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000491475073 416601758 /nfs/dbraw/zinc/60/17/58/416601758.db2.gz SLPOPPCSASIIMB-QGZVFWFLSA-N 2 2 321.421 0.039 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)CC1 ZINC000491475073 416601760 /nfs/dbraw/zinc/60/17/60/416601760.db2.gz SLPOPPCSASIIMB-QGZVFWFLSA-N 2 2 321.421 0.039 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCO)CC(C)(C)C)CC1 ZINC000490780295 416574777 /nfs/dbraw/zinc/57/47/77/416574777.db2.gz JISWGYGQYXNFEA-UHFFFAOYSA-N 2 2 309.454 0.494 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCO)CC(C)(C)C)CC1 ZINC000490780295 416574780 /nfs/dbraw/zinc/57/47/80/416574780.db2.gz JISWGYGQYXNFEA-UHFFFAOYSA-N 2 2 309.454 0.494 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000490839341 416577992 /nfs/dbraw/zinc/57/79/92/416577992.db2.gz IDXKGXKXYXKTDF-OAHLLOKOSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000490839341 416577996 /nfs/dbraw/zinc/57/79/96/416577996.db2.gz IDXKGXKXYXKTDF-OAHLLOKOSA-N 2 2 315.421 0.367 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C)c2cnn(C)c2C)CC1 ZINC000490947970 416581294 /nfs/dbraw/zinc/58/12/94/416581294.db2.gz BULHZRYCLDHJBG-CYBMUJFWSA-N 2 2 303.410 0.157 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000491041236 416582437 /nfs/dbraw/zinc/58/24/37/416582437.db2.gz YGFIMBUADIYEMG-SJORKVTESA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2COCC)CC1 ZINC000491757705 416623113 /nfs/dbraw/zinc/62/31/13/416623113.db2.gz FKBOTOKPDJFUGF-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2COCC)CC1 ZINC000491757705 416623116 /nfs/dbraw/zinc/62/31/16/416623116.db2.gz FKBOTOKPDJFUGF-INIZCTEOSA-N 2 2 307.438 0.655 20 30 DCEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000424190498 416625696 /nfs/dbraw/zinc/62/56/96/416625696.db2.gz MJILOUBCBCZXCJ-OAHLLOKOSA-N 2 2 301.394 0.747 20 30 DCEDLP N#Cc1cccc(CNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000576357409 417603163 /nfs/dbraw/zinc/60/31/63/417603163.db2.gz NWPSBRWOGCRXMH-UHFFFAOYSA-N 2 2 324.388 0.720 20 30 DCEDLP C=CC[C@@]1(C(=O)N2CCN(Cc3[nH+]ccn3C)CC2)CCC[NH2+]1 ZINC000662790845 417906480 /nfs/dbraw/zinc/90/64/80/417906480.db2.gz MVDSYQQHMKOPJT-KRWDZBQOSA-N 2 2 317.437 0.763 20 30 DCEDLP C[NH+]=C(NCc1nncn1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261948914 277753353 /nfs/dbraw/zinc/75/33/53/277753353.db2.gz GTBJPCKTGLCPAL-CHWSQXEVSA-N 2 2 316.413 0.670 20 30 DCEDLP C[C@H](C[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCOCC1 ZINC000330175335 336120844 /nfs/dbraw/zinc/12/08/44/336120844.db2.gz IZCFATQVZCJHDY-CHWSQXEVSA-N 2 2 307.398 0.422 20 30 DCEDLP CC1(C)COCC[N@@H+]1CC[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330198005 336123210 /nfs/dbraw/zinc/12/32/10/336123210.db2.gz SPOKOXZWUNJRAO-CYBMUJFWSA-N 2 2 321.425 0.812 20 30 DCEDLP CC1(C)COCC[N@H+]1CC[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330198005 336123211 /nfs/dbraw/zinc/12/32/11/336123211.db2.gz SPOKOXZWUNJRAO-CYBMUJFWSA-N 2 2 321.425 0.812 20 30 DCEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000490865829 339842298 /nfs/dbraw/zinc/84/22/98/339842298.db2.gz IIUKPGSBUPGKDX-MRXNPFEDSA-N 2 2 320.481 0.615 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N1CC[C@@H](COC)C1 ZINC000262780115 526359963 /nfs/dbraw/zinc/35/99/63/526359963.db2.gz KPYCBRXEBPTQMV-CYBMUJFWSA-N 2 2 300.472 0.579 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000171738732 526437182 /nfs/dbraw/zinc/43/71/82/526437182.db2.gz WKVPSXGBCBUJNN-HNNXBMFYSA-N 2 2 323.485 0.572 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371302339 526591931 /nfs/dbraw/zinc/59/19/31/526591931.db2.gz YGBKMOQAWQFDEV-MGPQQGTHSA-N 2 2 324.425 0.182 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371302339 526591937 /nfs/dbraw/zinc/59/19/37/526591937.db2.gz YGBKMOQAWQFDEV-MGPQQGTHSA-N 2 2 324.425 0.182 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246856678 526593473 /nfs/dbraw/zinc/59/34/73/526593473.db2.gz PJAHYFSSDRXORC-ZFWWWQNUSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246856678 526593478 /nfs/dbraw/zinc/59/34/78/526593478.db2.gz PJAHYFSSDRXORC-ZFWWWQNUSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246856678 526593482 /nfs/dbraw/zinc/59/34/82/526593482.db2.gz PJAHYFSSDRXORC-ZFWWWQNUSA-N 2 2 320.437 0.947 20 30 DCEDLP C=CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246856678 526593489 /nfs/dbraw/zinc/59/34/89/526593489.db2.gz PJAHYFSSDRXORC-ZFWWWQNUSA-N 2 2 320.437 0.947 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376188920 526923501 /nfs/dbraw/zinc/92/35/01/526923501.db2.gz ROPOYNGJVKVKRO-DOTOQJQBSA-N 2 2 319.449 0.653 20 30 DCEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178903274 527000425 /nfs/dbraw/zinc/00/04/25/527000425.db2.gz ISZOPIHMGOZKGN-OAHLLOKOSA-N 2 2 322.453 0.839 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647106 527632672 /nfs/dbraw/zinc/63/26/72/527632672.db2.gz MRFZVCQQRBUFPQ-HNNXBMFYSA-N 2 2 309.454 0.964 20 30 DCEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647106 527632674 /nfs/dbraw/zinc/63/26/74/527632674.db2.gz MRFZVCQQRBUFPQ-HNNXBMFYSA-N 2 2 309.454 0.964 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655014 528847066 /nfs/dbraw/zinc/84/70/66/528847066.db2.gz YBYHDGXLCLKBSL-MRXNPFEDSA-N 2 2 310.442 0.429 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357655014 528847073 /nfs/dbraw/zinc/84/70/73/528847073.db2.gz YBYHDGXLCLKBSL-MRXNPFEDSA-N 2 2 310.442 0.429 20 30 DCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000329433956 546048428 /nfs/dbraw/zinc/04/84/28/546048428.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 2 309.458 0.220 20 30 DCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000329433956 546048433 /nfs/dbraw/zinc/04/84/33/546048433.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 2 309.458 0.220 20 30 DCEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329433956 546048436 /nfs/dbraw/zinc/04/84/36/546048436.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 2 309.458 0.220 20 30 DCEDLP CN1CC[NH+](C)[C@H](CNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329433956 546048441 /nfs/dbraw/zinc/04/84/41/546048441.db2.gz JCDMHQOQLCTVGV-UKRRQHHQSA-N 2 2 309.458 0.220 20 30 DCEDLP C=CC[C@@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678777866 548003785 /nfs/dbraw/zinc/00/37/85/548003785.db2.gz FXYHIZPJCVUSRX-CABCVRRESA-N 2 2 324.469 0.639 20 30 DCEDLP C=CC[C@@H](CO)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678777866 548003789 /nfs/dbraw/zinc/00/37/89/548003789.db2.gz FXYHIZPJCVUSRX-CABCVRRESA-N 2 2 324.469 0.639 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553042 657764311 /nfs/dbraw/zinc/76/43/11/657764311.db2.gz XVCYOAZPPISLDA-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553042 657764316 /nfs/dbraw/zinc/76/43/16/657764316.db2.gz XVCYOAZPPISLDA-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553042 657764329 /nfs/dbraw/zinc/76/43/29/657764329.db2.gz XVCYOAZPPISLDA-FUHWJXTLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464317 658821920 /nfs/dbraw/zinc/82/19/20/658821920.db2.gz CAHFHHPHWNAPBT-QGZVFWFLSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464317 658821933 /nfs/dbraw/zinc/82/19/33/658821933.db2.gz CAHFHHPHWNAPBT-QGZVFWFLSA-N 2 2 316.405 0.518 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641162 661713517 /nfs/dbraw/zinc/71/35/17/661713517.db2.gz CBZIINWWLFGJRZ-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001028641162 661713518 /nfs/dbraw/zinc/71/35/18/661713518.db2.gz CBZIINWWLFGJRZ-CABCVRRESA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648017 665822372 /nfs/dbraw/zinc/82/23/72/665822372.db2.gz VMBBOIMNOXSHSO-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648017 665822373 /nfs/dbraw/zinc/82/23/73/665822373.db2.gz VMBBOIMNOXSHSO-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648017 665822374 /nfs/dbraw/zinc/82/23/74/665822374.db2.gz VMBBOIMNOXSHSO-LSDHHAIUSA-N 2 2 307.438 0.557 20 30 DCEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000728712171 662413350 /nfs/dbraw/zinc/41/33/50/662413350.db2.gz XITXDWPWPXSADR-CQSZACIVSA-N 2 2 316.405 0.841 20 30 DCEDLP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040137145 662511675 /nfs/dbraw/zinc/51/16/75/662511675.db2.gz NAOIJSSOEHVSQC-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040137145 662511678 /nfs/dbraw/zinc/51/16/78/662511678.db2.gz NAOIJSSOEHVSQC-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040137145 662511679 /nfs/dbraw/zinc/51/16/79/662511679.db2.gz NAOIJSSOEHVSQC-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040137145 662511681 /nfs/dbraw/zinc/51/16/81/662511681.db2.gz NAOIJSSOEHVSQC-WBVHZDCISA-N 2 2 305.422 0.265 20 30 DCEDLP C=CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903722704 663475090 /nfs/dbraw/zinc/47/50/90/663475090.db2.gz NSZOYSFCOPNETB-KKUMJFAQSA-N 2 2 314.451 0.430 20 30 DCEDLP C=CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903722704 663475091 /nfs/dbraw/zinc/47/50/91/663475091.db2.gz NSZOYSFCOPNETB-KKUMJFAQSA-N 2 2 314.451 0.430 20 30 DCEDLP C=C(C)C[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000941684850 666041892 /nfs/dbraw/zinc/04/18/92/666041892.db2.gz BSWPIJMGTVIZGV-UHFFFAOYSA-N 2 2 303.410 0.288 20 30 DCEDLP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001001563521 666074085 /nfs/dbraw/zinc/07/40/85/666074085.db2.gz QMVZHSRLKRPIMA-HNNXBMFYSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001032837210 666289258 /nfs/dbraw/zinc/28/92/58/666289258.db2.gz KDOQPRQQWLFMPK-ZACQAIPSSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001032837210 666289259 /nfs/dbraw/zinc/28/92/59/666289259.db2.gz KDOQPRQQWLFMPK-ZACQAIPSSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC001032837210 666289260 /nfs/dbraw/zinc/28/92/60/666289260.db2.gz KDOQPRQQWLFMPK-ZACQAIPSSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC[C@H]2CCCO2)C1 ZINC001032837210 666289261 /nfs/dbraw/zinc/28/92/61/666289261.db2.gz KDOQPRQQWLFMPK-ZACQAIPSSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000996625139 666839952 /nfs/dbraw/zinc/83/99/52/666839952.db2.gz ZGKSUFKJSCYYJF-UHFFFAOYSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)OC ZINC001032453962 667277619 /nfs/dbraw/zinc/27/76/19/667277619.db2.gz XQOQOVXROGVQRU-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)OC ZINC001032453962 667277622 /nfs/dbraw/zinc/27/76/22/667277622.db2.gz XQOQOVXROGVQRU-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)OC ZINC001032453962 667277623 /nfs/dbraw/zinc/27/76/23/667277623.db2.gz XQOQOVXROGVQRU-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)OC ZINC001032453962 667277626 /nfs/dbraw/zinc/27/76/26/667277626.db2.gz XQOQOVXROGVQRU-UGUYLWEFSA-N 2 2 305.422 0.404 20 30 DCEDLP C#CC[NH2+]C1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)CC1 ZINC000997378371 667283478 /nfs/dbraw/zinc/28/34/78/667283478.db2.gz GVGLYAYWUFCCCK-MRXNPFEDSA-N 2 2 300.406 0.898 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000884224472 667503317 /nfs/dbraw/zinc/50/33/17/667503317.db2.gz QHRMBGLACPNCMP-CABCVRRESA-N 2 2 323.437 0.910 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000884239310 667507582 /nfs/dbraw/zinc/50/75/82/667507582.db2.gz RQESFLKUYJVNPU-MELADBBJSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000923554670 667560922 /nfs/dbraw/zinc/56/09/22/667560922.db2.gz QSVCNNHTGYKFIG-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000923554670 667560924 /nfs/dbraw/zinc/56/09/24/667560924.db2.gz QSVCNNHTGYKFIG-AWEZNQCLSA-N 2 2 300.406 0.976 20 30 DCEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](O)[C@@H](O)C3)CC2)cc1 ZINC000886247163 667745680 /nfs/dbraw/zinc/74/56/80/667745680.db2.gz JHENGVRJCIXLFN-NNZMDNLPSA-N 2 2 315.417 0.996 20 30 DCEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000886285613 667751471 /nfs/dbraw/zinc/75/14/71/667751471.db2.gz NYTHNEIRMXVBKR-CVEARBPZSA-N 2 2 307.438 0.962 20 30 DCEDLP N#CC1(C[C@H](O)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCC1 ZINC000886285613 667751473 /nfs/dbraw/zinc/75/14/73/667751473.db2.gz NYTHNEIRMXVBKR-CVEARBPZSA-N 2 2 307.438 0.962 20 30 DCEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000743319125 667806605 /nfs/dbraw/zinc/80/66/05/667806605.db2.gz GRPUUQOTXHQUOJ-KRWDZBQOSA-N 2 2 321.465 0.947 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C1 ZINC000890362935 668119498 /nfs/dbraw/zinc/11/94/98/668119498.db2.gz IRZAHKAPPREOQZ-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C1 ZINC000890362935 668119499 /nfs/dbraw/zinc/11/94/99/668119499.db2.gz IRZAHKAPPREOQZ-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000890362935 668119502 /nfs/dbraw/zinc/11/95/02/668119502.db2.gz IRZAHKAPPREOQZ-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000890362935 668119505 /nfs/dbraw/zinc/11/95/05/668119505.db2.gz IRZAHKAPPREOQZ-XHSDSOJGSA-N 2 2 322.453 0.181 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000890363367 668120252 /nfs/dbraw/zinc/12/02/52/668120252.db2.gz NDLYLWRWWZWDQZ-MRXNPFEDSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000890363367 668120254 /nfs/dbraw/zinc/12/02/54/668120254.db2.gz NDLYLWRWWZWDQZ-MRXNPFEDSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000890363367 668120256 /nfs/dbraw/zinc/12/02/56/668120256.db2.gz NDLYLWRWWZWDQZ-MRXNPFEDSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000890363367 668120259 /nfs/dbraw/zinc/12/02/59/668120259.db2.gz NDLYLWRWWZWDQZ-MRXNPFEDSA-N 3 2 323.485 0.267 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC1 ZINC000874702950 668209949 /nfs/dbraw/zinc/20/99/49/668209949.db2.gz LCWAMIVUWCDORR-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC1 ZINC000874702950 668209952 /nfs/dbraw/zinc/20/99/52/668209952.db2.gz LCWAMIVUWCDORR-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876764907 668505535 /nfs/dbraw/zinc/50/55/35/668505535.db2.gz PEAIPHCZCYRZPO-JSGCOSHPSA-N 3 2 314.861 0.741 20 30 DCEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876764907 668505538 /nfs/dbraw/zinc/50/55/38/668505538.db2.gz PEAIPHCZCYRZPO-JSGCOSHPSA-N 3 2 314.861 0.741 20 30 DCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@H]21 ZINC000931278094 669173212 /nfs/dbraw/zinc/17/32/12/669173212.db2.gz XIYPECMUTLRZQN-BGTYHANMSA-N 2 2 315.417 0.984 20 30 DCEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C[C@H]21 ZINC000931278094 669173214 /nfs/dbraw/zinc/17/32/14/669173214.db2.gz XIYPECMUTLRZQN-BGTYHANMSA-N 2 2 315.417 0.984 20 30 DCEDLP C#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036883013 670261554 /nfs/dbraw/zinc/26/15/54/670261554.db2.gz VRAORZBJNXFNRL-HOCLYGCPSA-N 2 2 300.406 0.909 20 30 DCEDLP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001036883013 670261555 /nfs/dbraw/zinc/26/15/55/670261555.db2.gz 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CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038539227 694110555 /nfs/dbraw/zinc/11/05/55/694110555.db2.gz ZWSFOABNJREFBX-KRIMKBQASA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038539227 694110557 /nfs/dbraw/zinc/11/05/57/694110557.db2.gz ZWSFOABNJREFBX-KRIMKBQASA-N 2 2 303.406 0.063 20 30 DCEDLP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038539227 694110559 /nfs/dbraw/zinc/11/05/59/694110559.db2.gz ZWSFOABNJREFBX-KRIMKBQASA-N 2 2 303.406 0.063 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000960344219 688354190 /nfs/dbraw/zinc/35/41/90/688354190.db2.gz GDSNJNOEOZUQKU-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000960344219 688354195 /nfs/dbraw/zinc/35/41/95/688354195.db2.gz GDSNJNOEOZUQKU-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC000960344219 688354202 /nfs/dbraw/zinc/35/42/02/688354202.db2.gz GDSNJNOEOZUQKU-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccnc3)C[C@H]21 ZINC000960344219 688354211 /nfs/dbraw/zinc/35/42/11/688354211.db2.gz GDSNJNOEOZUQKU-XWTMOSNGSA-N 2 2 324.428 0.726 20 30 DCEDLP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962196791 688844516 /nfs/dbraw/zinc/84/45/16/688844516.db2.gz HQKOFCBSWPFMMK-QLPKVWCKSA-N 2 2 321.384 0.951 20 30 DCEDLP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962196791 688844517 /nfs/dbraw/zinc/84/45/17/688844517.db2.gz HQKOFCBSWPFMMK-QLPKVWCKSA-N 2 2 321.384 0.951 20 30 DCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001017747463 692974166 /nfs/dbraw/zinc/97/41/66/692974166.db2.gz DSNLXDHIGCXLMJ-OWQJAQGESA-N 2 2 315.417 0.158 20 30 DCEDLP C#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001017747463 692974167 /nfs/dbraw/zinc/97/41/67/692974167.db2.gz DSNLXDHIGCXLMJ-OWQJAQGESA-N 2 2 315.417 0.158 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001017747463 692974172 /nfs/dbraw/zinc/97/41/72/692974172.db2.gz DSNLXDHIGCXLMJ-OWQJAQGESA-N 2 2 315.417 0.158 20 30 DCEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001073886006 694796490 /nfs/dbraw/zinc/79/64/90/694796490.db2.gz FALXAXSQYSDGSN-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073886006 694796491 /nfs/dbraw/zinc/79/64/91/694796491.db2.gz FALXAXSQYSDGSN-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886006 694796492 /nfs/dbraw/zinc/79/64/92/694796492.db2.gz FALXAXSQYSDGSN-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP C=C(Cl)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073886006 694796493 /nfs/dbraw/zinc/79/64/93/694796493.db2.gz FALXAXSQYSDGSN-KBPBESRZSA-N 2 2 315.845 0.898 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001570574499 1162548272 /nfs/dbraw/zinc/54/82/72/1162548272.db2.gz QCZRRTLVZBHGNJ-FHERZECASA-N 2 2 318.421 0.968 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001571545619 1162802506 /nfs/dbraw/zinc/80/25/06/1162802506.db2.gz FADIKAPZDXKMDH-STQMWFEESA-N 2 2 319.409 0.129 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001754080645 1157510984 /nfs/dbraw/zinc/51/09/84/1157510984.db2.gz NHJOURYZSHHQSP-UHFFFAOYSA-N 2 2 306.410 0.775 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001752944104 1158823187 /nfs/dbraw/zinc/82/31/87/1158823187.db2.gz RTLMPFVMBVPBGU-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001565867524 1159917609 /nfs/dbraw/zinc/91/76/09/1159917609.db2.gz VEYIUWKGFCDHPB-RBSFLKMASA-N 2 2 300.406 0.953 20 30 DCEDLP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001566750578 1160142396 /nfs/dbraw/zinc/14/23/96/1160142396.db2.gz MJQLBSCFTZJCEM-OWCLPIDISA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001566750578 1160142405 /nfs/dbraw/zinc/14/24/05/1160142405.db2.gz MJQLBSCFTZJCEM-OWCLPIDISA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001566750578 1160142424 /nfs/dbraw/zinc/14/24/24/1160142424.db2.gz MJQLBSCFTZJCEM-OWCLPIDISA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001566750578 1160142429 /nfs/dbraw/zinc/14/24/29/1160142429.db2.gz MJQLBSCFTZJCEM-OWCLPIDISA-N 2 2 323.437 0.195 20 30 DCEDLP COCC#CC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001567307180 1160303836 /nfs/dbraw/zinc/30/38/36/1160303836.db2.gz QHUWEIAQJZTGRN-UHFFFAOYSA-N 2 2 306.410 0.704 20 30 DCEDLP COCC#CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001567307180 1160303844 /nfs/dbraw/zinc/30/38/44/1160303844.db2.gz QHUWEIAQJZTGRN-UHFFFAOYSA-N 2 2 306.410 0.704 20 30 DCEDLP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001567833292 1160494319 /nfs/dbraw/zinc/49/43/19/1160494319.db2.gz LUMSLNKDDIZCCC-HNNXBMFYSA-N 2 2 318.421 0.696 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001567873200 1160511993 /nfs/dbraw/zinc/51/19/93/1160511993.db2.gz NGRQTEOYXBGSQW-LSDHHAIUSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567873200 1160511998 /nfs/dbraw/zinc/51/19/98/1160511998.db2.gz NGRQTEOYXBGSQW-LSDHHAIUSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567873200 1160512003 /nfs/dbraw/zinc/51/20/03/1160512003.db2.gz NGRQTEOYXBGSQW-LSDHHAIUSA-N 2 2 322.453 0.352 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001567873200 1160512007 /nfs/dbraw/zinc/51/20/07/1160512007.db2.gz NGRQTEOYXBGSQW-LSDHHAIUSA-N 2 2 322.453 0.352 20 30 DCEDLP CC(C)[N@H+](C)CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001569626154 1161167225 /nfs/dbraw/zinc/16/72/25/1161167225.db2.gz HZXSCENULSKCBQ-HNNXBMFYSA-N 2 2 307.442 0.069 20 30 DCEDLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H]2CCN(CC#N)C2)CC1 ZINC001569626154 1161167226 /nfs/dbraw/zinc/16/72/26/1161167226.db2.gz HZXSCENULSKCBQ-HNNXBMFYSA-N 2 2 307.442 0.069 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCCC)C1 ZINC001569751251 1161223324 /nfs/dbraw/zinc/22/33/24/1161223324.db2.gz NJWJJVAMWZNNFU-WMZOPIPTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCCC)C1 ZINC001569751251 1161223332 /nfs/dbraw/zinc/22/33/32/1161223332.db2.gz NJWJJVAMWZNNFU-WMZOPIPTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCCC)C1 ZINC001569751251 1161223338 /nfs/dbraw/zinc/22/33/38/1161223338.db2.gz NJWJJVAMWZNNFU-WMZOPIPTSA-N 2 2 321.465 0.827 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](CCCCC)C1 ZINC001569751251 1161223345 /nfs/dbraw/zinc/22/33/45/1161223345.db2.gz NJWJJVAMWZNNFU-WMZOPIPTSA-N 2 2 321.465 0.827 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001569785781 1161247785 /nfs/dbraw/zinc/24/77/85/1161247785.db2.gz UPPFJPUILNTBNM-HUUCEWRRSA-N 2 2 307.438 0.742 20 30 DCEDLP C=C(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001569785781 1161247789 /nfs/dbraw/zinc/24/77/89/1161247789.db2.gz UPPFJPUILNTBNM-HUUCEWRRSA-N 2 2 307.438 0.742 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001569828466 1161277772 /nfs/dbraw/zinc/27/77/72/1161277772.db2.gz KUQHCWAAUJJXPW-LSDHHAIUSA-N 2 2 304.394 0.360 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC001574673914 1163739171 /nfs/dbraw/zinc/73/91/71/1163739171.db2.gz RFMAXHBFZZWQCI-AEFFLSMTSA-N 2 2 322.412 0.959 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC001574673914 1163739175 /nfs/dbraw/zinc/73/91/75/1163739175.db2.gz RFMAXHBFZZWQCI-AEFFLSMTSA-N 2 2 322.412 0.959 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc([C@@H](C)CC)n2CCC[NH3+])CC1 ZINC001574707185 1163741011 /nfs/dbraw/zinc/74/10/11/1163741011.db2.gz OBOOJPNGRCNBPA-AWEZNQCLSA-N 2 2 304.442 0.896 20 30 DCEDLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)CC1 ZINC001578533582 1165049575 /nfs/dbraw/zinc/04/95/75/1165049575.db2.gz OCVYOSFYFQHJKI-HNNXBMFYSA-N 2 2 307.442 0.246 20 30 DCEDLP N#CC1(C[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CCOCC1 ZINC001646048405 1172231931 /nfs/dbraw/zinc/23/19/31/1172231931.db2.gz OAWCLVHBGBZJCF-QWHCGFSZSA-N 2 2 304.394 0.928 20 30 DCEDLP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001656780143 1173882846 /nfs/dbraw/zinc/88/28/46/1173882846.db2.gz PWNDPDBGMBYVPJ-HNNXBMFYSA-N 2 2 318.421 0.271 20 30 DCEDLP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001656780143 1173882850 /nfs/dbraw/zinc/88/28/50/1173882850.db2.gz PWNDPDBGMBYVPJ-HNNXBMFYSA-N 2 2 318.421 0.271 20 30 DCEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001656863206 1173891186 /nfs/dbraw/zinc/89/11/86/1173891186.db2.gz LZBIFKMISIZWHD-OAHLLOKOSA-N 2 2 318.421 0.486 20 30 DCEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001656863206 1173891195 /nfs/dbraw/zinc/89/11/95/1173891195.db2.gz LZBIFKMISIZWHD-OAHLLOKOSA-N 2 2 318.421 0.486 20 30 DCEDLP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001674203936 1175263465 /nfs/dbraw/zinc/26/34/65/1175263465.db2.gz CVKLPXWLJUINBO-GJZGRUSLSA-N 2 2 318.421 0.580 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)C1=O ZINC001676488847 1175449642 /nfs/dbraw/zinc/44/96/42/1175449642.db2.gz UULNJOJUIZVQLO-KGLIPLIRSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001676548659 1175459382 /nfs/dbraw/zinc/45/93/82/1175459382.db2.gz BGJPCPHJFYYEPJ-KGLIPLIRSA-N 2 2 306.410 0.478 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690076121 1177162422 /nfs/dbraw/zinc/16/24/22/1177162422.db2.gz CZDOGRPKPIRTNV-QGZVFWFLSA-N 2 2 320.481 0.475 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001690076121 1177162430 /nfs/dbraw/zinc/16/24/30/1177162430.db2.gz CZDOGRPKPIRTNV-QGZVFWFLSA-N 2 2 320.481 0.475 20 30 DCEDLP C#CC[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001690153643 1177181169 /nfs/dbraw/zinc/18/11/69/1177181169.db2.gz QZYXXXJXAZSZFN-HNNXBMFYSA-N 2 2 300.406 0.880 20 30 DCEDLP COCC#CC[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001690543095 1177265286 /nfs/dbraw/zinc/26/52/86/1177265286.db2.gz OIHXXLMEONOBDD-UHFFFAOYSA-N 2 2 304.394 0.619 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001690780963 1177323888 /nfs/dbraw/zinc/32/38/88/1177323888.db2.gz NMQPUAJJEXUYQL-OLZOCXBDSA-N 2 2 319.409 0.271 20 30 DCEDLP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001698786441 1177655401 /nfs/dbraw/zinc/65/54/01/1177655401.db2.gz LCORZGBOMFLZDO-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001698786441 1177655410 /nfs/dbraw/zinc/65/54/10/1177655410.db2.gz LCORZGBOMFLZDO-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001698827818 1177684749 /nfs/dbraw/zinc/68/47/49/1177684749.db2.gz DNDGUSSLFBQVHV-OCCSQVGLSA-N 2 2 321.450 0.572 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001698827818 1177684753 /nfs/dbraw/zinc/68/47/53/1177684753.db2.gz DNDGUSSLFBQVHV-OCCSQVGLSA-N 2 2 321.450 0.572 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699011003 1177768357 /nfs/dbraw/zinc/76/83/57/1177768357.db2.gz JSCOAKPDVTWVDG-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699011003 1177768367 /nfs/dbraw/zinc/76/83/67/1177768367.db2.gz JSCOAKPDVTWVDG-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001699011003 1177768381 /nfs/dbraw/zinc/76/83/81/1177768381.db2.gz JSCOAKPDVTWVDG-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001699011003 1177768391 /nfs/dbraw/zinc/76/83/91/1177768391.db2.gz JSCOAKPDVTWVDG-HNNXBMFYSA-N 2 2 324.469 0.553 20 30 DCEDLP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001699656285 1178241042 /nfs/dbraw/zinc/24/10/42/1178241042.db2.gz XMONNWYVVJMUEC-CQSZACIVSA-N 2 2 318.421 0.887 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC001700459545 1178621075 /nfs/dbraw/zinc/62/10/75/1178621075.db2.gz DIGPQVFLHTXVNH-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC(C)C ZINC001700459545 1178621082 /nfs/dbraw/zinc/62/10/82/1178621082.db2.gz DIGPQVFLHTXVNH-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC(C)C ZINC001700459545 1178621084 /nfs/dbraw/zinc/62/10/84/1178621084.db2.gz DIGPQVFLHTXVNH-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC(C)C ZINC001700459545 1178621088 /nfs/dbraw/zinc/62/10/88/1178621088.db2.gz DIGPQVFLHTXVNH-GJZGRUSLSA-N 2 2 322.453 0.045 20 30 DCEDLP C=CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001700936540 1178813215 /nfs/dbraw/zinc/81/32/15/1178813215.db2.gz GPGMGLIECIZRNV-AWEZNQCLSA-N 2 2 306.410 0.357 20 30 DCEDLP CC#CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001707210992 1180435575 /nfs/dbraw/zinc/43/55/75/1180435575.db2.gz CLBPNZOGSUBLQK-HNNXBMFYSA-N 2 2 304.394 0.192 20 30 DCEDLP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001707210992 1180435579 /nfs/dbraw/zinc/43/55/79/1180435579.db2.gz CLBPNZOGSUBLQK-HNNXBMFYSA-N 2 2 304.394 0.192 20 30 DCEDLP C=CCCC[NH+]1CCN(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001713812031 1181085761 /nfs/dbraw/zinc/08/57/61/1181085761.db2.gz KNQLBYPFIQAJKR-UHFFFAOYSA-N 2 2 305.426 0.652 20 30 DCEDLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC#CCOC ZINC001714083353 1181238086 /nfs/dbraw/zinc/23/80/86/1181238086.db2.gz ZKVWDLCFOZNEJZ-HUUCEWRRSA-N 2 2 318.421 0.580 20 30 DCEDLP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001714087290 1181239586 /nfs/dbraw/zinc/23/95/86/1181239586.db2.gz MXXRZFXSNXXIPL-CQSZACIVSA-N 2 2 306.410 0.983 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001714197890 1181278549 /nfs/dbraw/zinc/27/85/49/1181278549.db2.gz XSCDWFGVIRRHPU-UHFFFAOYSA-N 2 2 319.409 0.271 20 30 DCEDLP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001714249410 1181294293 /nfs/dbraw/zinc/29/42/93/1181294293.db2.gz TWRSFUJBMDULKJ-UONOGXRCSA-N 2 2 306.410 0.742 20 30 DCEDLP C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001714598955 1181431296 /nfs/dbraw/zinc/43/12/96/1181431296.db2.gz KGTAPGGPQGTQQP-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001714598955 1181431300 /nfs/dbraw/zinc/43/13/00/1181431300.db2.gz KGTAPGGPQGTQQP-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714598955 1181431305 /nfs/dbraw/zinc/43/13/05/1181431305.db2.gz KGTAPGGPQGTQQP-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C#CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001714598955 1181431308 /nfs/dbraw/zinc/43/13/08/1181431308.db2.gz KGTAPGGPQGTQQP-HNNXBMFYSA-N 2 2 322.453 0.048 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001715004718 1181642464 /nfs/dbraw/zinc/64/24/64/1181642464.db2.gz IGRCIPHXOAZIMN-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001715004718 1181642467 /nfs/dbraw/zinc/64/24/67/1181642467.db2.gz IGRCIPHXOAZIMN-LSDHHAIUSA-N 2 2 318.421 0.839 20 30 DCEDLP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001715286781 1181758708 /nfs/dbraw/zinc/75/87/08/1181758708.db2.gz HUYOZJVGODQPCO-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP C#CCC[N@H+]1CCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001715286781 1181758713 /nfs/dbraw/zinc/75/87/13/1181758713.db2.gz HUYOZJVGODQPCO-MRXNPFEDSA-N 2 2 318.421 0.812 20 30 DCEDLP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001715395752 1181800772 /nfs/dbraw/zinc/80/07/72/1181800772.db2.gz YWOYFJWWKVTUPC-CQSZACIVSA-N 2 2 306.410 0.723 20 30 DCEDLP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716033779 1182154809 /nfs/dbraw/zinc/15/48/09/1182154809.db2.gz GNXGIWFKMVCUGX-CQSZACIVSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716033779 1182154816 /nfs/dbraw/zinc/15/48/16/1182154816.db2.gz GNXGIWFKMVCUGX-CQSZACIVSA-N 2 2 322.453 0.047 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nccn1C ZINC001716440864 1182390915 /nfs/dbraw/zinc/39/09/15/1182390915.db2.gz VWSAFRZRYNGGFF-KBPBESRZSA-N 2 2 303.410 0.112 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1nccn1C ZINC001716440864 1182390920 /nfs/dbraw/zinc/39/09/20/1182390920.db2.gz VWSAFRZRYNGGFF-KBPBESRZSA-N 2 2 303.410 0.112 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001716972680 1182607182 /nfs/dbraw/zinc/60/71/82/1182607182.db2.gz DBJOIXDBHMTFBP-HUUCEWRRSA-N 2 2 320.437 0.992 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001717394659 1182818980 /nfs/dbraw/zinc/81/89/80/1182818980.db2.gz AAOZFHQAEAMVSB-IYXRBSQSSA-N 2 2 319.409 0.058 20 30 DCEDLP COCC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542695 1182887087 /nfs/dbraw/zinc/88/70/87/1182887087.db2.gz KIYVQGWCZUVPAT-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001717542695 1182887094 /nfs/dbraw/zinc/88/70/94/1182887094.db2.gz KIYVQGWCZUVPAT-INIZCTEOSA-N 2 2 318.421 0.894 20 30 DCEDLP C#CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001717635019 1182933345 /nfs/dbraw/zinc/93/33/45/1182933345.db2.gz HKSAMPWFCOLEBH-HNNXBMFYSA-N 2 2 316.405 0.573 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001723873583 1184356823 /nfs/dbraw/zinc/35/68/23/1184356823.db2.gz DKGYCNFZRBGMIN-UONOGXRCSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CCC[NH+]1CCC(N(CC#C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001724061008 1184374940 /nfs/dbraw/zinc/37/49/40/1184374940.db2.gz IJWQISZGUFVQOP-UHFFFAOYSA-N 2 2 312.417 0.912 20 30 DCEDLP C#CC[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724400873 1184430522 /nfs/dbraw/zinc/43/05/22/1184430522.db2.gz GUWPVLPESKIXOM-INIZCTEOSA-N 2 2 304.394 0.113 20 30 DCEDLP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001724400873 1184430526 /nfs/dbraw/zinc/43/05/26/1184430526.db2.gz GUWPVLPESKIXOM-INIZCTEOSA-N 2 2 304.394 0.113 20 30 DCEDLP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001724913447 1184616251 /nfs/dbraw/zinc/61/62/51/1184616251.db2.gz OKPZBKUUGXRJBS-MRXNPFEDSA-N 2 2 306.410 0.482 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001724980589 1184642503 /nfs/dbraw/zinc/64/25/03/1184642503.db2.gz YBBQITAYZGPCKG-OAHLLOKOSA-N 2 2 318.421 0.750 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001724980589 1184642507 /nfs/dbraw/zinc/64/25/07/1184642507.db2.gz YBBQITAYZGPCKG-OAHLLOKOSA-N 2 2 318.421 0.750 20 30 DCEDLP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001725454660 1184832443 /nfs/dbraw/zinc/83/24/43/1184832443.db2.gz VAVTYFJYCILUEF-AWEZNQCLSA-N 2 2 304.394 0.191 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001725466282 1184835967 /nfs/dbraw/zinc/83/59/67/1184835967.db2.gz ATKWZWMPEVCNTN-CQSZACIVSA-N 2 2 304.394 0.429 20 30 DCEDLP C#CCC[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001725530008 1184863396 /nfs/dbraw/zinc/86/33/96/1184863396.db2.gz GUSIYXPTQDXPHB-AWEZNQCLSA-N 2 2 300.362 0.346 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001731458060 1185342396 /nfs/dbraw/zinc/34/23/96/1185342396.db2.gz SKDNIHQULNNKDO-MGPQQGTHSA-N 2 2 304.394 0.475 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001731458060 1185342402 /nfs/dbraw/zinc/34/24/02/1185342402.db2.gz SKDNIHQULNNKDO-MGPQQGTHSA-N 2 2 304.394 0.475 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nc(C)no2)CC1 ZINC001731988370 1185626756 /nfs/dbraw/zinc/62/67/56/1185626756.db2.gz WEPLMRFKOKYWGO-UHFFFAOYSA-N 2 2 319.409 0.271 20 30 DCEDLP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001732991441 1186095282 /nfs/dbraw/zinc/09/52/82/1186095282.db2.gz UGHYCXLCPJFXOK-RDJZCZTQSA-N 2 2 315.417 0.463 20 30 DCEDLP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001732991441 1186095292 /nfs/dbraw/zinc/09/52/92/1186095292.db2.gz UGHYCXLCPJFXOK-RDJZCZTQSA-N 2 2 315.417 0.463 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccnn1C ZINC001733045634 1186116134 /nfs/dbraw/zinc/11/61/34/1186116134.db2.gz QHTPYCRICRLKRF-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccnn1C ZINC001733045634 1186116135 /nfs/dbraw/zinc/11/61/35/1186116135.db2.gz QHTPYCRICRLKRF-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccnn1C ZINC001733045634 1186116138 /nfs/dbraw/zinc/11/61/38/1186116138.db2.gz QHTPYCRICRLKRF-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccnn1C ZINC001733045634 1186116140 /nfs/dbraw/zinc/11/61/40/1186116140.db2.gz QHTPYCRICRLKRF-ZBFHGGJFSA-N 2 2 317.437 0.454 20 30 DCEDLP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCO)CC1 ZINC001733371702 1186244218 /nfs/dbraw/zinc/24/42/18/1186244218.db2.gz OQAQTOBHCGRAPJ-UHFFFAOYSA-N 2 2 304.394 0.261 20 30 DCEDLP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001733739247 1186424131 /nfs/dbraw/zinc/42/41/31/1186424131.db2.gz XHKZEGVQMLGSCX-AWEZNQCLSA-N 2 2 305.378 0.636 20 30 DCEDLP C=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001733914923 1186496721 /nfs/dbraw/zinc/49/67/21/1186496721.db2.gz QRZGPKXGRIVZJA-CQSZACIVSA-N 2 2 318.421 0.575 20 30 DCEDLP C=CCC[NH+]1CC(CCO)(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001734071039 1186539192 /nfs/dbraw/zinc/53/91/92/1186539192.db2.gz XSANPQWOBXVNLS-UHFFFAOYSA-N 2 2 307.438 0.744 20 30 DCEDLP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001734183166 1186571937 /nfs/dbraw/zinc/57/19/37/1186571937.db2.gz NAFKSMVTWJYQLO-CHWSQXEVSA-N 2 2 304.394 0.526 20 30 DCEDLP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001734544261 1186687013 /nfs/dbraw/zinc/68/70/13/1186687013.db2.gz NVTURTNFVQIQON-GDBMZVCRSA-N 2 2 318.421 0.220 20 30 DCEDLP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001734544261 1186687018 /nfs/dbraw/zinc/68/70/18/1186687018.db2.gz NVTURTNFVQIQON-GDBMZVCRSA-N 2 2 318.421 0.220 20 30 DCEDLP C#CCN1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001752375580 1188419407 /nfs/dbraw/zinc/41/94/07/1188419407.db2.gz QFCWKPXHFKPTBC-IRXDYDNUSA-N 2 2 320.481 0.474 20 30 DCEDLP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001753350805 1188570966 /nfs/dbraw/zinc/57/09/66/1188570966.db2.gz SFVWCEHSGUHQDW-CABCVRRESA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001753350805 1188570967 /nfs/dbraw/zinc/57/09/67/1188570967.db2.gz SFVWCEHSGUHQDW-CABCVRRESA-N 2 2 300.406 0.859 20 30 DCEDLP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001755779257 1189208625 /nfs/dbraw/zinc/20/86/25/1189208625.db2.gz GTRAGZHLQKQGLA-HNNXBMFYSA-N 2 2 318.421 0.194 20 30 DCEDLP C#CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000317707441 1190423177 /nfs/dbraw/zinc/42/31/77/1190423177.db2.gz STIROVZIFWUJOY-UHFFFAOYSA-N 2 2 301.390 0.358 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077583999 751867384 /nfs/dbraw/zinc/86/73/84/751867384.db2.gz XVFMCBGNJSXYLE-ZIAGYGMSSA-N 2 2 305.378 0.139 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077583999 751867391 /nfs/dbraw/zinc/86/73/91/751867391.db2.gz XVFMCBGNJSXYLE-ZIAGYGMSSA-N 2 2 305.378 0.139 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835660 747018912 /nfs/dbraw/zinc/01/89/12/747018912.db2.gz CSDGYQJTBGHTAW-STQMWFEESA-N 2 2 319.409 0.224 20 30 DCEDLP C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609184 752147791 /nfs/dbraw/zinc/14/77/91/752147791.db2.gz HDYQZQFYLUXXHJ-NVXWUHKLSA-N 2 2 300.406 0.957 20 30 DCEDLP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001107609184 752147798 /nfs/dbraw/zinc/14/77/98/752147798.db2.gz HDYQZQFYLUXXHJ-NVXWUHKLSA-N 2 2 300.406 0.957 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046924951 751317545 /nfs/dbraw/zinc/31/75/45/751317545.db2.gz GUIBGSPOSYSQJZ-CHWSQXEVSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046924951 751317550 /nfs/dbraw/zinc/31/75/50/751317550.db2.gz GUIBGSPOSYSQJZ-CHWSQXEVSA-N 2 2 315.364 0.024 20 30 DCEDLP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046924951 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VKAORCMBZLSTOY-OAGGEKHMSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939043 757560594 /nfs/dbraw/zinc/56/05/94/757560594.db2.gz VKAORCMBZLSTOY-OAGGEKHMSA-N 2 2 307.438 0.436 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087811 757668021 /nfs/dbraw/zinc/66/80/21/757668021.db2.gz ALDKWMFHBFJUQT-SJORKVTESA-N 2 2 315.417 0.546 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087811 757668030 /nfs/dbraw/zinc/66/80/30/757668030.db2.gz ALDKWMFHBFJUQT-SJORKVTESA-N 2 2 315.417 0.546 20 30 DCEDLP C#CC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001050745677 758020281 /nfs/dbraw/zinc/02/02/81/758020281.db2.gz FZLLQFNUNMDWKE-UHFFFAOYSA-N 2 2 300.406 0.910 20 30 DCEDLP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001098398329 762665021 /nfs/dbraw/zinc/66/50/21/762665021.db2.gz OYFBPSNQZMAPJI-HUUCEWRRSA-N 2 2 316.405 0.432 20 30 DCEDLP 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COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001485162385 943732020 /nfs/dbraw/zinc/73/20/20/943732020.db2.gz KCRAZEDGHQJFAI-ZIAGYGMSSA-N 2 2 319.405 0.765 20 30 DCEDLP COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001485587371 944029167 /nfs/dbraw/zinc/02/91/67/944029167.db2.gz UVPHYCFJBWVJLU-AWEZNQCLSA-N 2 2 304.394 0.360 20 30 DCEDLP COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC001485587371 944029176 /nfs/dbraw/zinc/02/91/76/944029176.db2.gz UVPHYCFJBWVJLU-AWEZNQCLSA-N 2 2 304.394 0.360 20 30 DCEDLP C=C(C)CC[NH2+][C@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485995393 944469731 /nfs/dbraw/zinc/46/97/31/944469731.db2.gz HQHQLHWXYNUSKA-HNNXBMFYSA-N 2 2 320.437 0.795 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001486088826 944548266 /nfs/dbraw/zinc/54/82/66/944548266.db2.gz YBEJFPRFDGPWNT-ZIAGYGMSSA-N 2 2 319.409 0.154 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001276909261 944588824 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/nfs/dbraw/zinc/88/52/74/945885274.db2.gz RQFZQHFHXMXMSE-OCCSQVGLSA-N 2 2 305.382 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnon1 ZINC001320450728 945885285 /nfs/dbraw/zinc/88/52/85/945885285.db2.gz RQFZQHFHXMXMSE-OCCSQVGLSA-N 2 2 305.382 0.152 20 30 DCEDLP C=CCOCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001278676503 945983808 /nfs/dbraw/zinc/98/38/08/945983808.db2.gz HZPCZQARZFPAGN-ZDUSSCGKSA-N 2 2 306.410 0.981 20 30 DCEDLP CCN(CC[NH2+]CC#CCOC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320854028 946042713 /nfs/dbraw/zinc/04/27/13/946042713.db2.gz KZTSKVQZXSHSOR-HNNXBMFYSA-N 2 2 306.410 0.922 20 30 DCEDLP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278823570 946448474 /nfs/dbraw/zinc/44/84/74/946448474.db2.gz ZJVZGHDYRTZKNP-MRXNPFEDSA-N 2 2 306.410 0.780 20 30 DCEDLP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278823570 946448480 /nfs/dbraw/zinc/44/84/80/946448480.db2.gz ZJVZGHDYRTZKNP-MRXNPFEDSA-N 2 2 306.410 0.780 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278864398 946496703 /nfs/dbraw/zinc/49/67/03/946496703.db2.gz FOVJJGIGAVOSCU-CABCVRRESA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001278864398 946496709 /nfs/dbraw/zinc/49/67/09/946496709.db2.gz FOVJJGIGAVOSCU-CABCVRRESA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278864400 946496939 /nfs/dbraw/zinc/49/69/39/946496939.db2.gz FOVJJGIGAVOSCU-GJZGRUSLSA-N 2 2 320.437 0.773 20 30 DCEDLP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001278864400 946496942 /nfs/dbraw/zinc/49/69/42/946496942.db2.gz FOVJJGIGAVOSCU-GJZGRUSLSA-N 2 2 320.437 0.773 20 30 DCEDLP C#CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001278922847 946603058 /nfs/dbraw/zinc/60/30/58/946603058.db2.gz NRAUEAVYCAUDNA-CABCVRRESA-N 2 2 307.438 0.293 20 30 DCEDLP C[NH+](C)CC#CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001256584336 946646287 /nfs/dbraw/zinc/64/62/87/946646287.db2.gz BWJIWIHRSFDWKI-OAHLLOKOSA-N 2 2 302.378 0.809 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001325224889 947715281 /nfs/dbraw/zinc/71/52/81/947715281.db2.gz NHGGTAVLJIMKGQ-HNNXBMFYSA-N 2 2 305.422 0.047 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001325224889 947715290 /nfs/dbraw/zinc/71/52/90/947715290.db2.gz NHGGTAVLJIMKGQ-HNNXBMFYSA-N 2 2 305.422 0.047 20 30 DCEDLP C#Cc1ccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001262583331 947733519 /nfs/dbraw/zinc/73/35/19/947733519.db2.gz UZIUAKIPROWQDP-UHFFFAOYSA-N 2 2 300.406 0.890 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325450989 947799248 /nfs/dbraw/zinc/79/92/48/947799248.db2.gz TUBKQAFVRJQAAC-KGLIPLIRSA-N 2 2 306.410 0.981 20 30 DCEDLP CC#CC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001325816905 947931289 /nfs/dbraw/zinc/93/12/89/947931289.db2.gz CUMFZCGMBRMGBS-UHFFFAOYSA-N 2 2 303.410 0.077 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001327034191 948372792 /nfs/dbraw/zinc/37/27/92/948372792.db2.gz JRJSQPCTCOGAQF-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001327034191 948372801 /nfs/dbraw/zinc/37/28/01/948372801.db2.gz JRJSQPCTCOGAQF-UKRRQHHQSA-N 2 2 304.394 0.429 20 30 DCEDLP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273883918 948658093 /nfs/dbraw/zinc/65/80/93/948658093.db2.gz BYZVFIHYMQFEPH-HUUCEWRRSA-N 2 2 318.421 0.648 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264545447 949002506 /nfs/dbraw/zinc/00/25/06/949002506.db2.gz OISMKXBEQYROHS-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264545447 949002520 /nfs/dbraw/zinc/00/25/20/949002520.db2.gz OISMKXBEQYROHS-OWCLPIDISA-N 2 2 307.438 0.557 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001330245277 950228779 /nfs/dbraw/zinc/22/87/79/950228779.db2.gz XXKQLEALQAOXRZ-OAHLLOKOSA-N 2 2 307.438 0.559 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490440126 950659506 /nfs/dbraw/zinc/65/95/06/950659506.db2.gz LFVRQDSKDXYGOY-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490440126 950659517 /nfs/dbraw/zinc/65/95/17/950659517.db2.gz LFVRQDSKDXYGOY-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001490440126 950659526 /nfs/dbraw/zinc/65/95/26/950659526.db2.gz LFVRQDSKDXYGOY-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001490440126 950659537 /nfs/dbraw/zinc/65/95/37/950659537.db2.gz LFVRQDSKDXYGOY-JKSUJKDBSA-N 2 2 307.438 0.701 20 30 DCEDLP C=C(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001331788929 951321808 /nfs/dbraw/zinc/32/18/08/951321808.db2.gz CVUMSYIWOIAJQN-MGPQQGTHSA-N 2 2 306.410 0.557 20 30 DCEDLP C=CCNC(=O)C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001281536531 951533447 /nfs/dbraw/zinc/53/34/47/951533447.db2.gz NESGKZBXWAMDCN-UHFFFAOYSA-N 2 2 319.409 0.156 20 30 DCEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001281613389 951562501 /nfs/dbraw/zinc/56/25/01/951562501.db2.gz SJSSPCBRHGMDJN-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C=CCC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001281613389 951562504 /nfs/dbraw/zinc/56/25/04/951562504.db2.gz SJSSPCBRHGMDJN-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001281633875 951568291 /nfs/dbraw/zinc/56/82/91/951568291.db2.gz CXWVBSQKGPJIGC-CQSZACIVSA-N 2 2 318.421 0.555 20 30 DCEDLP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001281633875 951568295 /nfs/dbraw/zinc/56/82/95/951568295.db2.gz CXWVBSQKGPJIGC-CQSZACIVSA-N 2 2 318.421 0.555 20 30 DCEDLP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001274573833 951708563 /nfs/dbraw/zinc/70/85/63/951708563.db2.gz ZSPDWNBMDQWUEL-UHFFFAOYSA-N 2 2 306.410 0.862 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)n3)C[C@@H]21 ZINC001275606190 952304853 /nfs/dbraw/zinc/30/48/53/952304853.db2.gz ZIWIXCUZOZAEOG-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)n3)C[C@@H]21 ZINC001275606190 952304861 /nfs/dbraw/zinc/30/48/61/952304861.db2.gz ZIWIXCUZOZAEOG-IRXDYDNUSA-N 2 2 315.421 0.400 20 30 DCEDLP C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001276010719 952619809 /nfs/dbraw/zinc/61/98/09/952619809.db2.gz JKLVZTCUQIYLHM-KBPBESRZSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCN1CC[C@H]([N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)C1=O ZINC001276010719 952619813 /nfs/dbraw/zinc/61/98/13/952619813.db2.gz JKLVZTCUQIYLHM-KBPBESRZSA-N 2 2 319.409 0.107 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001282745145 953668127 /nfs/dbraw/zinc/66/81/27/953668127.db2.gz USYFKNFONNDFOG-ZIAGYGMSSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001282745145 953668137 /nfs/dbraw/zinc/66/81/37/953668137.db2.gz USYFKNFONNDFOG-ZIAGYGMSSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001282813195 953682602 /nfs/dbraw/zinc/68/26/02/953682602.db2.gz URHOLTFPPRCVQR-ZIAGYGMSSA-N 2 2 324.469 0.455 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001282813195 953682608 /nfs/dbraw/zinc/68/26/08/953682608.db2.gz URHOLTFPPRCVQR-ZIAGYGMSSA-N 2 2 324.469 0.455 20 30 DCEDLP C=CCN1CC[C@H]([NH2+][C@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)C1=O ZINC001283689901 954535828 /nfs/dbraw/zinc/53/58/28/954535828.db2.gz FKNZPILQIAIQQM-OLZOCXBDSA-N 2 2 319.409 0.176 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC001353809505 956192568 /nfs/dbraw/zinc/19/25/68/956192568.db2.gz RHKFVWXXTHWGIU-UONOGXRCSA-N 2 2 311.426 0.766 20 30 DCEDLP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC001353809506 956193423 /nfs/dbraw/zinc/19/34/23/956193423.db2.gz RHKFVWXXTHWGIU-ZIAGYGMSSA-N 2 2 311.426 0.766 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001491889281 959356666 /nfs/dbraw/zinc/35/66/66/959356666.db2.gz PKWGKGVWMMFHBT-KGLIPLIRSA-N 2 2 304.394 0.619 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317527359 960271088 /nfs/dbraw/zinc/27/10/88/960271088.db2.gz CEMUKFXSIGZBER-HOTGVXAUSA-N 2 2 318.421 0.922 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317527359 960271100 /nfs/dbraw/zinc/27/11/00/960271100.db2.gz CEMUKFXSIGZBER-HOTGVXAUSA-N 2 2 318.421 0.922 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cnc(C#N)c(C#N)n3)C2)CC1 ZINC001363727723 961771747 /nfs/dbraw/zinc/77/17/47/961771747.db2.gz IEHIWFLTJXCULJ-GFCCVEGCSA-N 2 2 311.393 0.800 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cnc(C#N)c(C#N)n3)C2)CC1 ZINC001363727723 961771761 /nfs/dbraw/zinc/77/17/61/961771761.db2.gz IEHIWFLTJXCULJ-GFCCVEGCSA-N 2 2 311.393 0.800 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cnc(C#N)c(C#N)n3)C2)CC1 ZINC001363727820 961773285 /nfs/dbraw/zinc/77/32/85/961773285.db2.gz IEHIWFLTJXCULJ-LBPRGKRZSA-N 2 2 311.393 0.800 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cnc(C#N)c(C#N)n3)C2)CC1 ZINC001363727820 961773295 /nfs/dbraw/zinc/77/32/95/961773295.db2.gz IEHIWFLTJXCULJ-LBPRGKRZSA-N 2 2 311.393 0.800 20 30 DCEDLP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001381049625 963782897 /nfs/dbraw/zinc/78/28/97/963782897.db2.gz LEBMDZUFICNAPE-AWEZNQCLSA-N 2 2 312.801 0.648 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001382464947 967411296 /nfs/dbraw/zinc/41/12/96/967411296.db2.gz FIRKSCYTNAYGMB-KGLIPLIRSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001382464947 967411305 /nfs/dbraw/zinc/41/13/05/967411305.db2.gz FIRKSCYTNAYGMB-KGLIPLIRSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001382464947 967411312 /nfs/dbraw/zinc/41/13/12/967411312.db2.gz FIRKSCYTNAYGMB-KGLIPLIRSA-N 2 2 317.861 0.974 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001382464947 967411319 /nfs/dbraw/zinc/41/13/19/967411319.db2.gz FIRKSCYTNAYGMB-KGLIPLIRSA-N 2 2 317.861 0.974 20 30 DCEDLP COCC#CC[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001505532816 1016289260 /nfs/dbraw/zinc/28/92/60/1016289260.db2.gz SOIMIVGGHYDTBR-UHFFFAOYSA-N 2 2 304.394 0.395 20 30 DCEDLP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507675217 1016519887 /nfs/dbraw/zinc/51/98/87/1016519887.db2.gz MOEGMWLUKPAICB-AWEZNQCLSA-N 2 2 306.410 0.127 20 30 DCEDLP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001507675217 1016519892 /nfs/dbraw/zinc/51/98/92/1016519892.db2.gz MOEGMWLUKPAICB-AWEZNQCLSA-N 2 2 306.410 0.127 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001403892513 1002692478 /nfs/dbraw/zinc/69/24/78/1002692478.db2.gz DBXANWYLUJWSKC-TZMCWYRMSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Cl)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001403892513 1002692483 /nfs/dbraw/zinc/69/24/83/1002692483.db2.gz DBXANWYLUJWSKC-TZMCWYRMSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Cl)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001403892513 1002692488 /nfs/dbraw/zinc/69/24/88/1002692488.db2.gz DBXANWYLUJWSKC-TZMCWYRMSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Cl)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001403892513 1002692492 /nfs/dbraw/zinc/69/24/92/1002692492.db2.gz DBXANWYLUJWSKC-TZMCWYRMSA-N 2 2 317.861 0.832 20 30 DCEDLP C=C(Br)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001442069442 1008923705 /nfs/dbraw/zinc/92/37/05/1008923705.db2.gz KMLCTEPNPWTADG-JTQLQIEISA-N 2 2 301.188 0.886 20 30 DCEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001500054926 1018191511 /nfs/dbraw/zinc/19/15/11/1018191511.db2.gz ZCNYPLKYQDJICJ-AWEZNQCLSA-N 2 2 318.421 0.913 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500689157 1018580370 /nfs/dbraw/zinc/58/03/70/1018580370.db2.gz CYMKAEWREZLPTO-KRWDZBQOSA-N 2 2 317.389 0.209 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001500689157 1018580381 /nfs/dbraw/zinc/58/03/81/1018580381.db2.gz CYMKAEWREZLPTO-KRWDZBQOSA-N 2 2 317.389 0.209 20 30 DCEDLP COCC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001480774332 1018897294 /nfs/dbraw/zinc/89/72/94/1018897294.db2.gz DZMFHRJQPCRPRY-CABCVRRESA-N 2 2 318.421 0.580 20 30 DCEDLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000264075131 238188476 /nfs/dbraw/zinc/18/84/76/238188476.db2.gz GZSAJUVTDYSEHB-MRXNPFEDSA-N 2 2 318.421 0.595 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000491699442 241131995 /nfs/dbraw/zinc/13/19/95/241131995.db2.gz NKKXIEBNHDCPLQ-QGZVFWFLSA-N 2 2 312.417 0.648 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000491699442 241132000 /nfs/dbraw/zinc/13/20/00/241132000.db2.gz NKKXIEBNHDCPLQ-QGZVFWFLSA-N 2 2 312.417 0.648 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](C)c2ccncc2)CC1 ZINC000091987331 395728190 /nfs/dbraw/zinc/72/81/90/395728190.db2.gz MPCVKTTXVHISIG-OAHLLOKOSA-N 2 2 300.406 0.852 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](C)c2ccncc2)CC1 ZINC000091987331 395728192 /nfs/dbraw/zinc/72/81/92/395728192.db2.gz MPCVKTTXVHISIG-OAHLLOKOSA-N 2 2 300.406 0.852 20 30 DCEDLP C=CCCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000181065179 396237294 /nfs/dbraw/zinc/23/72/94/396237294.db2.gz ZGXUGYFIKLYGBV-UHFFFAOYSA-N 2 2 303.472 0.850 20 30 DCEDLP C=CCCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000181065179 396237299 /nfs/dbraw/zinc/23/72/99/396237299.db2.gz ZGXUGYFIKLYGBV-UHFFFAOYSA-N 2 2 303.472 0.850 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C#N)CC3)C2)CC1 ZINC000619529215 397145501 /nfs/dbraw/zinc/14/55/01/397145501.db2.gz YJXUDNINQRATSU-CYBMUJFWSA-N 2 2 305.426 0.758 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C#N)CC3)C2)CC1 ZINC000619529215 397145505 /nfs/dbraw/zinc/14/55/05/397145505.db2.gz YJXUDNINQRATSU-CYBMUJFWSA-N 2 2 305.426 0.758 20 30 DCEDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](C)CCC#N ZINC000602649720 397455440 /nfs/dbraw/zinc/45/54/40/397455440.db2.gz XSTZHOLDVCBULN-OAHLLOKOSA-N 2 2 310.442 0.649 20 30 DCEDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H](C)CCC#N ZINC000602649720 397455448 /nfs/dbraw/zinc/45/54/48/397455448.db2.gz XSTZHOLDVCBULN-OAHLLOKOSA-N 2 2 310.442 0.649 20 30 DCEDLP N#CC[C@]1(O)CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852934 397502455 /nfs/dbraw/zinc/50/24/55/397502455.db2.gz UNSQSVSGGCMXKD-ROUUACIJSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@]1(O)CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000602852934 397502458 /nfs/dbraw/zinc/50/24/58/397502458.db2.gz UNSQSVSGGCMXKD-ROUUACIJSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@]1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000602852934 397502461 /nfs/dbraw/zinc/50/24/61/397502461.db2.gz UNSQSVSGGCMXKD-ROUUACIJSA-N 2 2 315.417 0.974 20 30 DCEDLP N#CC[C@]1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000602852934 397502463 /nfs/dbraw/zinc/50/24/63/397502463.db2.gz UNSQSVSGGCMXKD-ROUUACIJSA-N 2 2 315.417 0.974 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000092796718 415544808 /nfs/dbraw/zinc/54/48/08/415544808.db2.gz WWZIGLLUXHGBFH-MRXNPFEDSA-N 2 2 322.453 0.793 20 30 DCEDLP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000092796718 415544815 /nfs/dbraw/zinc/54/48/15/415544815.db2.gz WWZIGLLUXHGBFH-MRXNPFEDSA-N 2 2 322.453 0.793 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000112731384 415714975 /nfs/dbraw/zinc/71/49/75/415714975.db2.gz PBRPVTKOPGWXCW-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000112731384 415714983 /nfs/dbraw/zinc/71/49/83/415714983.db2.gz PBRPVTKOPGWXCW-MRXNPFEDSA-N 2 2 321.469 0.460 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355027743 415834244 /nfs/dbraw/zinc/83/42/44/415834244.db2.gz DHAIMJRFLBBCBL-CABCVRRESA-N 2 2 308.470 0.777 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355027743 415834248 /nfs/dbraw/zinc/83/42/48/415834248.db2.gz DHAIMJRFLBBCBL-CABCVRRESA-N 2 2 308.470 0.777 20 30 DCEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)[nH]1 ZINC000133088939 415940925 /nfs/dbraw/zinc/94/09/25/415940925.db2.gz XAMGDGXWXMVWBJ-UHFFFAOYSA-N 2 2 303.410 0.984 20 30 DCEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)[nH]1 ZINC000133088939 415940935 /nfs/dbraw/zinc/94/09/35/415940935.db2.gz XAMGDGXWXMVWBJ-UHFFFAOYSA-N 2 2 303.410 0.984 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C)CCc2nccs2)CC1 ZINC000157932674 415999766 /nfs/dbraw/zinc/99/97/66/415999766.db2.gz GACLBJAMOWDMTO-UHFFFAOYSA-N 2 2 306.435 0.395 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)CCc2nccs2)CC1 ZINC000157932674 415999769 /nfs/dbraw/zinc/99/97/69/415999769.db2.gz GACLBJAMOWDMTO-UHFFFAOYSA-N 2 2 306.435 0.395 20 30 DCEDLP COC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303771011 416102548 /nfs/dbraw/zinc/10/25/48/416102548.db2.gz CDUGRQJVMZLEGI-AWEZNQCLSA-N 2 2 312.458 0.961 20 30 DCEDLP CN1CC[N@H+](C)[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000329393482 416167341 /nfs/dbraw/zinc/16/73/41/416167341.db2.gz WEWZSISTJBREFE-MRXNPFEDSA-N 2 2 323.485 0.610 20 30 DCEDLP CN1CC[N@@H+](C)[C@H](CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000329393482 416167343 /nfs/dbraw/zinc/16/73/43/416167343.db2.gz WEWZSISTJBREFE-MRXNPFEDSA-N 2 2 323.485 0.610 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)CC1 ZINC000491408284 416598815 /nfs/dbraw/zinc/59/88/15/416598815.db2.gz VGQVJFZTGZKXLV-FVQBIDKESA-N 2 2 307.438 0.413 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000491440311 416600111 /nfs/dbraw/zinc/60/01/11/416600111.db2.gz OKZRDODOMJXZLS-JKSUJKDBSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000491440311 416600114 /nfs/dbraw/zinc/60/01/14/416600114.db2.gz OKZRDODOMJXZLS-JKSUJKDBSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000491440311 416600116 /nfs/dbraw/zinc/60/01/16/416600116.db2.gz OKZRDODOMJXZLS-JKSUJKDBSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000491440311 416600120 /nfs/dbraw/zinc/60/01/20/416600120.db2.gz OKZRDODOMJXZLS-JKSUJKDBSA-N 2 2 309.454 0.947 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000491638733 416608740 /nfs/dbraw/zinc/60/87/40/416608740.db2.gz WDFGRPSJEFLZDQ-IMJJTQAJSA-N 2 2 305.422 0.167 20 30 DCEDLP C#CC[C@@H](CC(F)(F)F)[NH2+]CC(=O)N1CC[NH+](CC#C)CC1 ZINC000491671510 416613762 /nfs/dbraw/zinc/61/37/62/416613762.db2.gz NPEHKLGGTNJFNK-ZDUSSCGKSA-N 2 2 315.339 0.698 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000490628238 416571282 /nfs/dbraw/zinc/57/12/82/416571282.db2.gz FVQYEKVSUQZBPD-OAHLLOKOSA-N 2 2 306.454 0.084 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](C[C@@H](C)C(=O)OC)C2CC2)CC1 ZINC000490759944 416574630 /nfs/dbraw/zinc/57/46/30/416574630.db2.gz ITNCDCVDVBRMFJ-CQSZACIVSA-N 2 2 321.421 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)CC1 ZINC000490759944 416574633 /nfs/dbraw/zinc/57/46/33/416574633.db2.gz ITNCDCVDVBRMFJ-CQSZACIVSA-N 2 2 321.421 0.037 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000491121381 416587776 /nfs/dbraw/zinc/58/77/76/416587776.db2.gz QNXQYIGZOXPHHP-SFHVURJKSA-N 2 2 321.465 0.494 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000491121381 416587780 /nfs/dbraw/zinc/58/77/80/416587780.db2.gz QNXQYIGZOXPHHP-SFHVURJKSA-N 2 2 321.465 0.494 20 30 DCEDLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424138218 416616398 /nfs/dbraw/zinc/61/63/98/416616398.db2.gz TZSCDMUZJOGFDV-OAHLLOKOSA-N 2 2 319.409 0.957 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659809373 418182155 /nfs/dbraw/zinc/18/21/55/418182155.db2.gz DBQQQOIHIQOZFL-IAGOWNOFSA-N 2 2 322.497 0.884 20 30 DCEDLP C=C[C@H](CO)[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000662167371 418385926 /nfs/dbraw/zinc/38/59/26/418385926.db2.gz BHXXINPZLNMMLY-QGZVFWFLSA-N 2 2 317.433 0.776 20 30 DCEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1(C#N)CCC1 ZINC000363898441 289322155 /nfs/dbraw/zinc/32/21/55/289322155.db2.gz BOWOCGWEPUBDJB-RBSFLKMASA-N 2 2 320.437 0.732 20 30 DCEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1(C#N)CCC1 ZINC000363898441 289322160 /nfs/dbraw/zinc/32/21/60/289322160.db2.gz BOWOCGWEPUBDJB-RBSFLKMASA-N 2 2 320.437 0.732 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150753115 332194783 /nfs/dbraw/zinc/19/47/83/332194783.db2.gz IGOMDMOXAUGEGG-UONOGXRCSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150753115 332194786 /nfs/dbraw/zinc/19/47/86/332194786.db2.gz IGOMDMOXAUGEGG-UONOGXRCSA-N 2 2 308.426 0.804 20 30 DCEDLP C[C@](O)(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000330217024 336125364 /nfs/dbraw/zinc/12/53/64/336125364.db2.gz IDXHOKKZERVFBO-ZBFHGGJFSA-N 2 2 311.426 0.653 20 30 DCEDLP C[C@](O)(CNC(=O)[C@H]1CCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000330217024 336125366 /nfs/dbraw/zinc/12/53/66/336125366.db2.gz IDXHOKKZERVFBO-ZBFHGGJFSA-N 2 2 311.426 0.653 20 30 DCEDLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000563958292 336388379 /nfs/dbraw/zinc/38/83/79/336388379.db2.gz PMWRBLXWNFPMRQ-LSDHHAIUSA-N 2 2 307.394 0.004 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000491104894 339849040 /nfs/dbraw/zinc/84/90/40/339849040.db2.gz UAJXONZSXKKAKC-INIZCTEOSA-N 2 2 319.449 0.703 20 30 DCEDLP C#C[C@@H]1COCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000491781037 339881204 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317.393 0.152 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]Cc2cnon2)C1 ZINC000961940315 688773110 /nfs/dbraw/zinc/77/31/10/688773110.db2.gz NWSGRBGCDDGBAJ-PIMMBPRGSA-N 2 2 317.393 0.152 20 30 DCEDLP C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018280830 693077863 /nfs/dbraw/zinc/07/78/63/693077863.db2.gz VAKIIGCFESNBRH-OAGGEKHMSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018280830 693077866 /nfs/dbraw/zinc/07/78/66/693077866.db2.gz VAKIIGCFESNBRH-OAGGEKHMSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772101 694780264 /nfs/dbraw/zinc/78/02/64/694780264.db2.gz DFYZMNJAIMFBNU-RRFJBIMHSA-N 2 2 316.405 0.364 20 30 DCEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001073772101 694780265 /nfs/dbraw/zinc/78/02/65/694780265.db2.gz DFYZMNJAIMFBNU-RRFJBIMHSA-N 2 2 316.405 0.364 20 30 DCEDLP 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ZINC001074384809 694882455 /nfs/dbraw/zinc/88/24/55/694882455.db2.gz MUTIYOLRCCDESB-JKSUJKDBSA-N 2 2 317.433 0.407 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001570789455 1162621108 /nfs/dbraw/zinc/62/11/08/1162621108.db2.gz QRHHFEZGCXVLJV-UHFFFAOYSA-N 2 2 304.394 0.573 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001571361928 1162719231 /nfs/dbraw/zinc/71/92/31/1162719231.db2.gz YXYCPQWPZYOJEE-MRXNPFEDSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001571361928 1162719234 /nfs/dbraw/zinc/71/92/34/1162719234.db2.gz YXYCPQWPZYOJEE-MRXNPFEDSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001571415312 1162738189 /nfs/dbraw/zinc/73/81/89/1162738189.db2.gz ISPLPQVJYYVRAB-DGCLKSJQSA-N 2 2 321.425 0.388 20 30 DCEDLP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001772520052 1157419135 /nfs/dbraw/zinc/41/91/35/1157419135.db2.gz VTQNLJIEMMWBJK-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001691089331 1157577320 /nfs/dbraw/zinc/57/73/20/1157577320.db2.gz KLNBTAUTORGMDC-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001691089331 1157577323 /nfs/dbraw/zinc/57/73/23/1157577323.db2.gz KLNBTAUTORGMDC-HNNXBMFYSA-N 2 2 304.394 0.422 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001752425781 1157937451 /nfs/dbraw/zinc/93/74/51/1157937451.db2.gz FRNSSGGPVAGYPJ-AWEZNQCLSA-N 2 2 300.406 0.957 20 30 DCEDLP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001691536464 1158318558 /nfs/dbraw/zinc/31/85/58/1158318558.db2.gz XUHFUGKXEWZIAW-OAHLLOKOSA-N 2 2 320.437 0.824 20 30 DCEDLP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001691536464 1158318565 /nfs/dbraw/zinc/31/85/65/1158318565.db2.gz XUHFUGKXEWZIAW-OAHLLOKOSA-N 2 2 320.437 0.824 20 30 DCEDLP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691598387 1158349876 /nfs/dbraw/zinc/34/98/76/1158349876.db2.gz RSBHMMFZSPWXBZ-OAHLLOKOSA-N 2 2 318.421 0.486 20 30 DCEDLP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691598387 1158349882 /nfs/dbraw/zinc/34/98/82/1158349882.db2.gz RSBHMMFZSPWXBZ-OAHLLOKOSA-N 2 2 318.421 0.486 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001566951642 1160192843 /nfs/dbraw/zinc/19/28/43/1160192843.db2.gz NLQMHJHDHVRDGK-OAHLLOKOSA-N 2 2 318.421 0.881 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566964970 1160196012 /nfs/dbraw/zinc/19/60/12/1160196012.db2.gz COKAPPNVKAFUOR-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001566964970 1160196014 /nfs/dbraw/zinc/19/60/14/1160196014.db2.gz COKAPPNVKAFUOR-CABCVRRESA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001568428478 1160646584 /nfs/dbraw/zinc/64/65/84/1160646584.db2.gz GPUBBCPWPVSMSO-GOEBONIOSA-N 2 2 318.421 0.819 20 30 DCEDLP CC#CC[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001568559697 1160682410 /nfs/dbraw/zinc/68/24/10/1160682410.db2.gz KTYQCLKDICMYBL-CQSZACIVSA-N 2 2 300.362 0.346 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001568997475 1160912570 /nfs/dbraw/zinc/91/25/70/1160912570.db2.gz CXCUFYSPSHPCIX-CABCVRRESA-N 2 2 315.421 0.477 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nccc(C)n1 ZINC001568997475 1160912577 /nfs/dbraw/zinc/91/25/77/1160912577.db2.gz CXCUFYSPSHPCIX-CABCVRRESA-N 2 2 315.421 0.477 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H]2CNC(=O)CC[N@@H+](C)CC)C1=O ZINC001569379416 1161038257 /nfs/dbraw/zinc/03/82/57/1161038257.db2.gz AZSMBWUIYWIMKD-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H]2CNC(=O)CC[N@H+](C)CC)C1=O ZINC001569379416 1161038265 /nfs/dbraw/zinc/03/82/65/1161038265.db2.gz AZSMBWUIYWIMKD-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)CC)C1=O ZINC001569379416 1161038272 /nfs/dbraw/zinc/03/82/72/1161038272.db2.gz AZSMBWUIYWIMKD-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)CC)C1=O ZINC001569379416 1161038279 /nfs/dbraw/zinc/03/82/79/1161038279.db2.gz AZSMBWUIYWIMKD-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569541725 1161092385 /nfs/dbraw/zinc/09/23/85/1161092385.db2.gz MCCMINASTSCSTH-OAHLLOKOSA-N 2 2 300.406 0.976 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569760118 1161230558 /nfs/dbraw/zinc/23/05/58/1161230558.db2.gz SJPADTFPUMYFNF-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001569760118 1161230564 /nfs/dbraw/zinc/23/05/64/1161230564.db2.gz SJPADTFPUMYFNF-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569760118 1161230569 /nfs/dbraw/zinc/23/05/69/1161230569.db2.gz SJPADTFPUMYFNF-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001569760118 1161230574 /nfs/dbraw/zinc/23/05/74/1161230574.db2.gz SJPADTFPUMYFNF-CZUORRHYSA-N 2 2 306.410 0.717 20 30 DCEDLP CC#CC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001574962340 1163822126 /nfs/dbraw/zinc/82/21/26/1163822126.db2.gz JTUYAAYMLNROIZ-QGZVFWFLSA-N 2 2 310.401 0.943 20 30 DCEDLP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001646520911 1172412579 /nfs/dbraw/zinc/41/25/79/1172412579.db2.gz OVESTPAQRPUYOL-JQFCIGGWSA-N 2 2 302.422 0.816 20 30 DCEDLP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC001646520911 1172412582 /nfs/dbraw/zinc/41/25/82/1172412582.db2.gz OVESTPAQRPUYOL-JQFCIGGWSA-N 2 2 302.422 0.816 20 30 DCEDLP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001666723669 1174629924 /nfs/dbraw/zinc/62/99/24/1174629924.db2.gz AKPFMDGZVWHPIL-OAHLLOKOSA-N 2 2 311.426 0.102 20 30 DCEDLP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001666723669 1174629926 /nfs/dbraw/zinc/62/99/26/1174629926.db2.gz AKPFMDGZVWHPIL-OAHLLOKOSA-N 2 2 311.426 0.102 20 30 DCEDLP C=CCN1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1=O ZINC001668224075 1174770624 /nfs/dbraw/zinc/77/06/24/1174770624.db2.gz LDKXJYLBOFDKLK-OCCSQVGLSA-N 2 2 319.409 0.224 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnns1 ZINC001668867984 1174853563 /nfs/dbraw/zinc/85/35/63/1174853563.db2.gz GISLZRUOTTZRFQ-XGACYXMMSA-N 2 2 319.434 0.398 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnns1 ZINC001668867984 1174853568 /nfs/dbraw/zinc/85/35/68/1174853568.db2.gz GISLZRUOTTZRFQ-XGACYXMMSA-N 2 2 319.434 0.398 20 30 DCEDLP COCC#CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001669839044 1174957147 /nfs/dbraw/zinc/95/71/47/1174957147.db2.gz SRKFCAHDMSEPEW-ZDUSSCGKSA-N 2 2 322.409 0.436 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001669839044 1174957149 /nfs/dbraw/zinc/95/71/49/1174957149.db2.gz SRKFCAHDMSEPEW-ZDUSSCGKSA-N 2 2 322.409 0.436 20 30 DCEDLP C=CCOCC[NH2+][C@]1(CO)CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001673709729 1175226969 /nfs/dbraw/zinc/22/69/69/1175226969.db2.gz WQANRXHWMFVSCK-MRXNPFEDSA-N 2 2 322.409 0.029 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001674284781 1175265780 /nfs/dbraw/zinc/26/57/80/1175265780.db2.gz UUKBQKHQDXUORR-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001674284781 1175265786 /nfs/dbraw/zinc/26/57/86/1175265786.db2.gz UUKBQKHQDXUORR-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001674284781 1175265790 /nfs/dbraw/zinc/26/57/90/1175265790.db2.gz UUKBQKHQDXUORR-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001674284781 1175265793 /nfs/dbraw/zinc/26/57/93/1175265793.db2.gz UUKBQKHQDXUORR-UHFFFAOYSA-N 2 2 307.438 0.655 20 30 DCEDLP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001675110601 1175329437 /nfs/dbraw/zinc/32/94/37/1175329437.db2.gz HRAVUPUZQCYJMR-OAHLLOKOSA-N 2 2 309.454 0.990 20 30 DCEDLP C#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001676114700 1175421509 /nfs/dbraw/zinc/42/15/09/1175421509.db2.gz OEXBVXOWTMIPGV-AWEZNQCLSA-N 2 2 304.394 0.143 20 30 DCEDLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC#CC[NH+](C)C ZINC001685832133 1176042578 /nfs/dbraw/zinc/04/25/78/1176042578.db2.gz OEBKNUWHVDQPJO-GJZGRUSLSA-N 2 2 308.426 0.056 20 30 DCEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC#CC[NH+](C)C ZINC001685832132 1176043350 /nfs/dbraw/zinc/04/33/50/1176043350.db2.gz OEBKNUWHVDQPJO-CABCVRRESA-N 2 2 308.426 0.056 20 30 DCEDLP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001690158976 1177182958 /nfs/dbraw/zinc/18/29/58/1177182958.db2.gz RIBWFMOZDMNAJQ-GOEBONIOSA-N 2 2 300.406 0.953 20 30 DCEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)C1([NH+](C)C)CCC1 ZINC001691937211 1177386257 /nfs/dbraw/zinc/38/62/57/1177386257.db2.gz HUMFCYQYDOUNIO-UHFFFAOYSA-N 2 2 307.442 0.070 20 30 DCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001699199131 1177932896 /nfs/dbraw/zinc/93/28/96/1177932896.db2.gz FCTNBOXNCOXBMI-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH2+]CCN(CC)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001699199131 1177932907 /nfs/dbraw/zinc/93/29/07/1177932907.db2.gz FCTNBOXNCOXBMI-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001699741434 1178272755 /nfs/dbraw/zinc/27/27/55/1178272755.db2.gz UNMMUKUFJWDHPQ-LSDHHAIUSA-N 2 2 318.421 0.582 20 30 DCEDLP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001699780974 1178285710 /nfs/dbraw/zinc/28/57/10/1178285710.db2.gz YWCOJZLJMLSUCH-KRWDZBQOSA-N 2 2 317.433 0.267 20 30 DCEDLP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001699780974 1178285715 /nfs/dbraw/zinc/28/57/15/1178285715.db2.gz YWCOJZLJMLSUCH-KRWDZBQOSA-N 2 2 317.433 0.267 20 30 DCEDLP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCOC)CC1 ZINC001699781124 1178285874 /nfs/dbraw/zinc/28/58/74/1178285874.db2.gz GDEWEVBYBSPVHI-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCOC)CC1 ZINC001699781124 1178285881 /nfs/dbraw/zinc/28/58/81/1178285881.db2.gz GDEWEVBYBSPVHI-UHFFFAOYSA-N 2 2 318.421 0.915 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001699896583 1178345527 /nfs/dbraw/zinc/34/55/27/1178345527.db2.gz LDWCKDIEXNJGDB-IOASZLSFSA-N 2 2 302.378 0.090 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001699896583 1178345534 /nfs/dbraw/zinc/34/55/34/1178345534.db2.gz LDWCKDIEXNJGDB-IOASZLSFSA-N 2 2 302.378 0.090 20 30 DCEDLP C#CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001699896583 1178345542 /nfs/dbraw/zinc/34/55/42/1178345542.db2.gz LDWCKDIEXNJGDB-IOASZLSFSA-N 2 2 302.378 0.090 20 30 DCEDLP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001699896583 1178345551 /nfs/dbraw/zinc/34/55/51/1178345551.db2.gz LDWCKDIEXNJGDB-IOASZLSFSA-N 2 2 302.378 0.090 20 30 DCEDLP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001700039266 1178452993 /nfs/dbraw/zinc/45/29/93/1178452993.db2.gz ZJWIMIUXPQMFMP-ZIAGYGMSSA-N 2 2 306.410 0.510 20 30 DCEDLP C=C(C)C[NH+]1CC(CCO)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001700490813 1178634176 /nfs/dbraw/zinc/63/41/76/1178634176.db2.gz LJBUNNONVMSYIH-HNNXBMFYSA-N 2 2 307.438 0.457 20 30 DCEDLP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001700725474 1178723193 /nfs/dbraw/zinc/72/31/93/1178723193.db2.gz YDCRDLOTUTTXRL-HNNXBMFYSA-N 2 2 304.394 0.810 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001707057877 1180404935 /nfs/dbraw/zinc/40/49/35/1180404935.db2.gz ZMKBQPDVEIENIK-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001707057877 1180404936 /nfs/dbraw/zinc/40/49/36/1180404936.db2.gz ZMKBQPDVEIENIK-HNNXBMFYSA-N 2 2 305.422 0.265 20 30 DCEDLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001713077981 1180668788 /nfs/dbraw/zinc/66/87/88/1180668788.db2.gz WTPDBKSMXBWAIO-HZPDHXFCSA-N 2 2 321.469 0.364 20 30 DCEDLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001713077982 1180669201 /nfs/dbraw/zinc/66/92/01/1180669201.db2.gz WTPDBKSMXBWAIO-JKSUJKDBSA-N 2 2 321.469 0.364 20 30 DCEDLP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001713098123 1180681400 /nfs/dbraw/zinc/68/14/00/1180681400.db2.gz HJFHBSDGZGFIDQ-HNNXBMFYSA-N 2 2 300.406 0.957 20 30 DCEDLP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001713345360 1180778547 /nfs/dbraw/zinc/77/85/47/1180778547.db2.gz IEQQLIQMKHBKRL-LSDHHAIUSA-N 2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713469715 1180848989 /nfs/dbraw/zinc/84/89/89/1180848989.db2.gz WXBATSXRTMFVQM-HNNXBMFYSA-N 2 2 324.469 0.601 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713469715 1180849004 /nfs/dbraw/zinc/84/90/04/1180849004.db2.gz WXBATSXRTMFVQM-HNNXBMFYSA-N 2 2 324.469 0.601 20 30 DCEDLP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713906193 1181140037 /nfs/dbraw/zinc/14/00/37/1181140037.db2.gz LYVVIDWHWWLRKS-ZDUSSCGKSA-N 2 2 322.453 0.209 20 30 DCEDLP COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001714011854 1181202671 /nfs/dbraw/zinc/20/26/71/1181202671.db2.gz QMOGJSIALBCCLY-OAHLLOKOSA-N 2 2 304.394 0.456 20 30 DCEDLP COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001714011854 1181202677 /nfs/dbraw/zinc/20/26/77/1181202677.db2.gz QMOGJSIALBCCLY-OAHLLOKOSA-N 2 2 304.394 0.456 20 30 DCEDLP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001714378470 1181341402 /nfs/dbraw/zinc/34/14/02/1181341402.db2.gz GIHPGRHVKZCBBL-AWEZNQCLSA-N 2 2 306.410 0.603 20 30 DCEDLP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001715252553 1181735769 /nfs/dbraw/zinc/73/57/69/1181735769.db2.gz YOPRBIVAUUAZSS-GOEBONIOSA-N 2 2 307.438 0.605 20 30 DCEDLP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001715252553 1181735775 /nfs/dbraw/zinc/73/57/75/1181735775.db2.gz YOPRBIVAUUAZSS-GOEBONIOSA-N 2 2 307.438 0.605 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001716180823 1182237331 /nfs/dbraw/zinc/23/73/31/1182237331.db2.gz XHFIWDRUNRMRKB-ZIAGYGMSSA-N 2 2 306.410 0.723 20 30 DCEDLP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001716180823 1182237335 /nfs/dbraw/zinc/23/73/35/1182237335.db2.gz XHFIWDRUNRMRKB-ZIAGYGMSSA-N 2 2 306.410 0.723 20 30 DCEDLP C=CC[NH2+][C@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001717766489 1182986724 /nfs/dbraw/zinc/98/67/24/1182986724.db2.gz JHTDCBJBHQVZCH-FZMZJTMJSA-N 2 2 307.398 0.043 20 30 DCEDLP C=CC[NH2+][C@H](CO)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001717766489 1182986729 /nfs/dbraw/zinc/98/67/29/1182986729.db2.gz JHTDCBJBHQVZCH-FZMZJTMJSA-N 2 2 307.398 0.043 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001731853084 1185529403 /nfs/dbraw/zinc/52/94/03/1185529403.db2.gz RIYVBYQTENCNRT-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001731853084 1185529407 /nfs/dbraw/zinc/52/94/07/1185529407.db2.gz RIYVBYQTENCNRT-AWEZNQCLSA-N 2 2 319.409 0.014 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001731897930 1185556778 /nfs/dbraw/zinc/55/67/78/1185556778.db2.gz CQBSFLJCHLOHAG-NSHDSACASA-N 2 2 320.231 0.274 20 30 DCEDLP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001731897930 1185556782 /nfs/dbraw/zinc/55/67/82/1185556782.db2.gz CQBSFLJCHLOHAG-NSHDSACASA-N 2 2 320.231 0.274 20 30 DCEDLP COCC#CC[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001732247943 1185746635 /nfs/dbraw/zinc/74/66/35/1185746635.db2.gz NNYNBIKXCSWKQG-INIZCTEOSA-N 2 2 304.394 0.477 20 30 DCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001732722149 1185936147 /nfs/dbraw/zinc/93/61/47/1185936147.db2.gz YXKSUPXLBQWJDG-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001732722149 1185936151 /nfs/dbraw/zinc/93/61/51/1185936151.db2.gz YXKSUPXLBQWJDG-GOEBONIOSA-N 2 2 307.438 0.747 20 30 DCEDLP COCC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001732871234 1186026845 /nfs/dbraw/zinc/02/68/45/1186026845.db2.gz ZANQHBXPHMYEEI-GWQWAINWSA-N 2 2 316.405 0.357 20 30 DCEDLP COCC#CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001733189886 1186175328 /nfs/dbraw/zinc/17/53/28/1186175328.db2.gz XEQKBIVQGCSFLV-HNNXBMFYSA-N 2 2 304.394 0.395 20 30 DCEDLP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001733256505 1186204062 /nfs/dbraw/zinc/20/40/62/1186204062.db2.gz RSDLMVMZGCNYBC-ZIAGYGMSSA-N 2 2 316.405 0.412 20 30 DCEDLP C=CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001733541098 1186326829 /nfs/dbraw/zinc/32/68/29/1186326829.db2.gz WYRKSLXBLQJDOO-CABCVRRESA-N 2 2 306.410 0.912 20 30 DCEDLP C#CC[NH+]1CCC(CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001733915464 1186496848 /nfs/dbraw/zinc/49/68/48/1186496848.db2.gz XDFKPDJNKLGENM-UHFFFAOYSA-N 2 2 312.373 0.753 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001734129138 1186555975 /nfs/dbraw/zinc/55/59/75/1186555975.db2.gz PBCKAQRTXIPZTP-KBPBESRZSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001734129138 1186555977 /nfs/dbraw/zinc/55/59/77/1186555977.db2.gz PBCKAQRTXIPZTP-KBPBESRZSA-N 2 2 322.453 0.067 20 30 DCEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001734186088 1186573898 /nfs/dbraw/zinc/57/38/98/1186573898.db2.gz ZWWFDEKYMIECEG-ZFWWWQNUSA-N 2 2 306.410 0.744 20 30 DCEDLP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001752669100 1188432433 /nfs/dbraw/zinc/43/24/33/1188432433.db2.gz KAYXBGMJXVPEMU-KKUMJFAQSA-N 2 2 304.394 0.721 20 30 DCEDLP COCC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752840820 1188448766 /nfs/dbraw/zinc/44/87/66/1188448766.db2.gz MGGVWBSLCLRDTK-LSDHHAIUSA-N 2 2 318.421 0.819 20 30 DCEDLP COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001752840820 1188448772 /nfs/dbraw/zinc/44/87/72/1188448772.db2.gz MGGVWBSLCLRDTK-LSDHHAIUSA-N 2 2 318.421 0.819 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001753112125 1188503230 /nfs/dbraw/zinc/50/32/30/1188503230.db2.gz WGHSANHGHLIMKP-HUUCEWRRSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001753112125 1188503233 /nfs/dbraw/zinc/50/32/33/1188503233.db2.gz WGHSANHGHLIMKP-HUUCEWRRSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001753112125 1188503237 /nfs/dbraw/zinc/50/32/37/1188503237.db2.gz WGHSANHGHLIMKP-HUUCEWRRSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001753112125 1188503241 /nfs/dbraw/zinc/50/32/41/1188503241.db2.gz WGHSANHGHLIMKP-HUUCEWRRSA-N 2 2 322.453 0.211 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753354827 1188571514 /nfs/dbraw/zinc/57/15/14/1188571514.db2.gz AZXXMDNBICDYTL-ZDUSSCGKSA-N 2 2 319.409 0.035 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001753354827 1188571517 /nfs/dbraw/zinc/57/15/17/1188571517.db2.gz AZXXMDNBICDYTL-ZDUSSCGKSA-N 2 2 319.409 0.035 20 30 DCEDLP COCC#CC[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001753633111 1188627338 /nfs/dbraw/zinc/62/73/38/1188627338.db2.gz BONKQZZJTNZJGQ-LSDHHAIUSA-N 2 2 306.410 0.826 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754330661 1188824919 /nfs/dbraw/zinc/82/49/19/1188824919.db2.gz KGJKLCLSSIVVBW-OLZOCXBDSA-N 2 2 321.425 0.090 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001754330661 1188824920 /nfs/dbraw/zinc/82/49/20/1188824920.db2.gz KGJKLCLSSIVVBW-OLZOCXBDSA-N 2 2 321.425 0.090 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CCOCC)C2)CC1 ZINC001754587594 1188885443 /nfs/dbraw/zinc/88/54/43/1188885443.db2.gz SGADOXUFUHESQP-UHFFFAOYSA-N 2 2 307.438 0.511 20 30 DCEDLP C=CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752792 1188921544 /nfs/dbraw/zinc/92/15/44/1188921544.db2.gz QDUBPFATRJMGEW-CJNGLKHVSA-N 2 2 304.394 0.185 20 30 DCEDLP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001754752792 1188921546 /nfs/dbraw/zinc/92/15/46/1188921546.db2.gz QDUBPFATRJMGEW-CJNGLKHVSA-N 2 2 304.394 0.185 20 30 DCEDLP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001755213804 1189057097 /nfs/dbraw/zinc/05/70/97/1189057097.db2.gz VCWCNFXVGDTSAB-SLTAFYQDSA-N 2 2 300.406 0.953 20 30 DCEDLP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]cn1C ZINC001089885569 751755962 /nfs/dbraw/zinc/75/59/62/751755962.db2.gz HJPKUISHVYQHHD-SVGFKBNWSA-N 2 2 312.417 0.765 20 30 DCEDLP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1c[nH+]cn1C ZINC001089885569 751755967 /nfs/dbraw/zinc/75/59/67/751755967.db2.gz HJPKUISHVYQHHD-SVGFKBNWSA-N 2 2 312.417 0.765 20 30 DCEDLP C=C(Br)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167352802 747126560 /nfs/dbraw/zinc/12/65/60/747126560.db2.gz LVAANQRKAAPOBV-UHFFFAOYSA-N 2 2 301.188 0.957 20 30 DCEDLP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276140 747727217 /nfs/dbraw/zinc/72/72/17/747727217.db2.gz NRLQTGNUKWPXPP-HRCADAONSA-N 2 2 323.437 0.052 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083276140 747727220 /nfs/dbraw/zinc/72/72/20/747727220.db2.gz NRLQTGNUKWPXPP-HRCADAONSA-N 2 2 323.437 0.052 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685175 752299177 /nfs/dbraw/zinc/29/91/77/752299177.db2.gz CCMHNVCEVHFVRG-IAGOWNOFSA-N 2 2 315.417 0.199 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001077685175 752299179 /nfs/dbraw/zinc/29/91/79/752299179.db2.gz CCMHNVCEVHFVRG-IAGOWNOFSA-N 2 2 315.417 0.199 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563603 750202119 /nfs/dbraw/zinc/20/21/19/750202119.db2.gz XHLLOZDCZHSJCA-KGLIPLIRSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563603 750202124 /nfs/dbraw/zinc/20/21/24/750202124.db2.gz XHLLOZDCZHSJCA-KGLIPLIRSA-N 2 2 304.394 0.111 20 30 DCEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132540 750218291 /nfs/dbraw/zinc/21/82/91/750218291.db2.gz YANSMKSUPQNZNP-OWCLPIDISA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077132540 750218295 /nfs/dbraw/zinc/21/82/95/750218295.db2.gz YANSMKSUPQNZNP-OWCLPIDISA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077132540 750218298 /nfs/dbraw/zinc/21/82/98/750218298.db2.gz YANSMKSUPQNZNP-OWCLPIDISA-N 2 2 305.422 0.188 20 30 DCEDLP C#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077132540 750218300 /nfs/dbraw/zinc/21/83/00/750218300.db2.gz YANSMKSUPQNZNP-OWCLPIDISA-N 2 2 305.422 0.188 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777748 752522648 /nfs/dbraw/zinc/52/26/48/752522648.db2.gz ZDMSBMMNXHVROM-OWCLPIDISA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777748 752522649 /nfs/dbraw/zinc/52/26/49/752522649.db2.gz ZDMSBMMNXHVROM-OWCLPIDISA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777748 752522650 /nfs/dbraw/zinc/52/26/50/752522650.db2.gz ZDMSBMMNXHVROM-OWCLPIDISA-N 2 2 307.438 0.434 20 30 DCEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001077777748 752522651 /nfs/dbraw/zinc/52/26/51/752522651.db2.gz ZDMSBMMNXHVROM-OWCLPIDISA-N 2 2 307.438 0.434 20 30 DCEDLP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789557 752630023 /nfs/dbraw/zinc/63/00/23/752630023.db2.gz JCXWPQGQPGAMQZ-BHPKHCPMSA-N 2 2 304.394 0.261 20 30 DCEDLP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](O)C1 ZINC001083789557 752630026 /nfs/dbraw/zinc/63/00/26/752630026.db2.gz JCXWPQGQPGAMQZ-BHPKHCPMSA-N 2 2 304.394 0.261 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108003144 752898015 /nfs/dbraw/zinc/89/80/15/752898015.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108003144 752898021 /nfs/dbraw/zinc/89/80/21/752898021.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](C(C)C)CCO1 ZINC001108003144 752898026 /nfs/dbraw/zinc/89/80/26/752898026.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)C[NH+](C(C)C)CCO1 ZINC001108003144 752898034 /nfs/dbraw/zinc/89/80/34/752898034.db2.gz BNLWGRYEYPCDJM-DOTOQJQBSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108010258 752910588 /nfs/dbraw/zinc/91/05/88/752910588.db2.gz QUHYFWWLFXYAKL-DOTOQJQBSA-N 2 2 309.454 0.803 20 30 DCEDLP CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108010258 752910592 /nfs/dbraw/zinc/91/05/92/752910592.db2.gz QUHYFWWLFXYAKL-DOTOQJQBSA-N 2 2 309.454 0.803 20 30 DCEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228600 753124045 /nfs/dbraw/zinc/12/40/45/753124045.db2.gz XBCMLLVOQWHSAN-IAGOWNOFSA-N 2 2 315.417 0.546 20 30 DCEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228600 753124048 /nfs/dbraw/zinc/12/40/48/753124048.db2.gz XBCMLLVOQWHSAN-IAGOWNOFSA-N 2 2 315.417 0.546 20 30 DCEDLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064821 753459117 /nfs/dbraw/zinc/45/91/17/753459117.db2.gz VOZDXKZWHVTJSO-HOTGVXAUSA-N 2 2 319.453 0.070 20 30 DCEDLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCN(CC#N)C3)CC2)C1 ZINC001046064821 753459120 /nfs/dbraw/zinc/45/91/20/753459120.db2.gz VOZDXKZWHVTJSO-HOTGVXAUSA-N 2 2 319.453 0.070 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083826353 753921158 /nfs/dbraw/zinc/92/11/58/753921158.db2.gz OBIYHZQLPGPRBV-KGLIPLIRSA-N 2 2 304.394 0.191 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083826353 753921164 /nfs/dbraw/zinc/92/11/64/753921164.db2.gz OBIYHZQLPGPRBV-KGLIPLIRSA-N 2 2 304.394 0.191 20 30 DCEDLP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047597942 754424042 /nfs/dbraw/zinc/42/40/42/754424042.db2.gz NVMPSYDSMZVDPY-STQMWFEESA-N 2 2 306.410 0.767 20 30 DCEDLP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047597942 754424046 /nfs/dbraw/zinc/42/40/46/754424046.db2.gz NVMPSYDSMZVDPY-STQMWFEESA-N 2 2 306.410 0.767 20 30 DCEDLP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611768 754433599 /nfs/dbraw/zinc/43/35/99/754433599.db2.gz IDAXVEOTZHCWCN-GJZGRUSLSA-N 2 2 306.410 0.730 20 30 DCEDLP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611768 754433606 /nfs/dbraw/zinc/43/36/06/754433606.db2.gz IDAXVEOTZHCWCN-GJZGRUSLSA-N 2 2 306.410 0.730 20 30 DCEDLP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)O2 ZINC001053600647 756115419 /nfs/dbraw/zinc/11/54/19/756115419.db2.gz OEKDYPBXJFCWCB-HOTGVXAUSA-N 2 2 319.449 0.864 20 30 DCEDLP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803181 756213585 /nfs/dbraw/zinc/21/35/85/756213585.db2.gz MALQZEQHFAVROY-JKSUJKDBSA-N 2 2 319.449 0.864 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806791 756216071 /nfs/dbraw/zinc/21/60/71/756216071.db2.gz RCNLCHHNJYHGRQ-QLFBSQMISA-N 2 2 305.422 0.309 20 30 DCEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806791 756216074 /nfs/dbraw/zinc/21/60/74/756216074.db2.gz RCNLCHHNJYHGRQ-QLFBSQMISA-N 2 2 305.422 0.309 20 30 DCEDLP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081883784 756836875 /nfs/dbraw/zinc/83/68/75/756836875.db2.gz VVDIWCHHLWKWAL-OWCLPIDISA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081883784 756836883 /nfs/dbraw/zinc/83/68/83/756836883.db2.gz VVDIWCHHLWKWAL-OWCLPIDISA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081883784 756836888 /nfs/dbraw/zinc/83/68/88/756836888.db2.gz VVDIWCHHLWKWAL-OWCLPIDISA-N 2 2 307.438 0.555 20 30 DCEDLP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081883784 756836892 /nfs/dbraw/zinc/83/68/92/756836892.db2.gz 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2 2 300.406 0.907 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268250294 940006030 /nfs/dbraw/zinc/00/60/30/940006030.db2.gz AQAUTCPZVGBGGY-AWEZNQCLSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268250294 940006034 /nfs/dbraw/zinc/00/60/34/940006034.db2.gz AQAUTCPZVGBGGY-AWEZNQCLSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001268250294 940006038 /nfs/dbraw/zinc/00/60/38/940006038.db2.gz AQAUTCPZVGBGGY-AWEZNQCLSA-N 2 2 310.442 0.021 20 30 DCEDLP C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001268250294 940006041 /nfs/dbraw/zinc/00/60/41/940006041.db2.gz AQAUTCPZVGBGGY-AWEZNQCLSA-N 2 2 310.442 0.021 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1nonc1C ZINC001268552735 940230694 /nfs/dbraw/zinc/23/06/94/940230694.db2.gz OXDXCZNRRVMBMJ-XVWMLYKFSA-N 2 2 317.393 0.238 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1nonc1C ZINC001268552735 940230697 /nfs/dbraw/zinc/23/06/97/940230697.db2.gz OXDXCZNRRVMBMJ-XVWMLYKFSA-N 2 2 317.393 0.238 20 30 DCEDLP CC#CC[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001269085785 940612904 /nfs/dbraw/zinc/61/29/04/940612904.db2.gz XUWCUJIAKPDDRC-HNNXBMFYSA-N 2 2 304.394 0.858 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408426 940700422 /nfs/dbraw/zinc/70/04/22/940700422.db2.gz PGFXRKITIVZCPY-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+][C@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408426 940700423 /nfs/dbraw/zinc/70/04/23/940700423.db2.gz PGFXRKITIVZCPY-DOMZBBRYSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+][C@@H](CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001269408428 940700504 /nfs/dbraw/zinc/70/05/04/940700504.db2.gz PGFXRKITIVZCPY-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CC[NH2+][C@@H](CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001269408428 940700505 /nfs/dbraw/zinc/70/05/05/940700505.db2.gz PGFXRKITIVZCPY-SWLSCSKDSA-N 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ZINC001483391175 942325288 /nfs/dbraw/zinc/32/52/88/942325288.db2.gz SNHCZNHKEBNIHN-RBSFLKMASA-N 2 2 318.421 0.610 20 30 DCEDLP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391175 942325295 /nfs/dbraw/zinc/32/52/95/942325295.db2.gz SNHCZNHKEBNIHN-RBSFLKMASA-N 2 2 318.421 0.610 20 30 DCEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484374432 943342798 /nfs/dbraw/zinc/34/27/98/943342798.db2.gz VPRUWUZCLVUWNT-CVEARBPZSA-N 2 2 318.421 0.607 20 30 DCEDLP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001484446898 943401278 /nfs/dbraw/zinc/40/12/78/943401278.db2.gz DUQYNTQHISBSBJ-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001484446898 943401284 /nfs/dbraw/zinc/40/12/84/943401284.db2.gz DUQYNTQHISBSBJ-KRWDZBQOSA-N 2 2 320.437 0.872 20 30 DCEDLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703069 943522527 /nfs/dbraw/zinc/52/25/27/943522527.db2.gz CZDFPSFJOITACI-OAHLLOKOSA-N 2 2 307.442 0.069 20 30 DCEDLP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001484703069 943522530 /nfs/dbraw/zinc/52/25/30/943522530.db2.gz CZDFPSFJOITACI-OAHLLOKOSA-N 2 2 307.442 0.069 20 30 DCEDLP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484852541 943596777 /nfs/dbraw/zinc/59/67/77/943596777.db2.gz ZXTYRGRHSKYAAP-ZBFHGGJFSA-N 2 2 304.394 0.411 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484960832 943638900 /nfs/dbraw/zinc/63/89/00/943638900.db2.gz GRDWLMUVMBJQJB-CYBMUJFWSA-N 2 2 306.410 0.717 20 30 DCEDLP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484960832 943638904 /nfs/dbraw/zinc/63/89/04/943638904.db2.gz GRDWLMUVMBJQJB-CYBMUJFWSA-N 2 2 306.410 0.717 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001485443834 943940736 /nfs/dbraw/zinc/94/07/36/943940736.db2.gz XZTBPDCRFGWBAH-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP C#CC[NH2+]CCCOC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001485443834 943940739 /nfs/dbraw/zinc/94/07/39/943940739.db2.gz XZTBPDCRFGWBAH-UHFFFAOYSA-N 2 2 318.421 0.963 20 30 DCEDLP COCC#CC[NH2+][C@H](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001485792094 944138268 /nfs/dbraw/zinc/13/82/68/944138268.db2.gz STDIOIAKGOHSAT-MRXNPFEDSA-N 2 2 320.437 0.733 20 30 DCEDLP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272867725 944290810 /nfs/dbraw/zinc/29/08/10/944290810.db2.gz ANDYUDBDMWWAIF-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001272867725 944290815 /nfs/dbraw/zinc/29/08/15/944290815.db2.gz ANDYUDBDMWWAIF-HNNXBMFYSA-N 2 2 306.410 0.975 20 30 DCEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276812662 944310072 /nfs/dbraw/zinc/31/00/72/944310072.db2.gz LHLWKYHZNMPXAX-ZFWWWQNUSA-N 2 2 306.410 0.744 20 30 DCEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001276812661 944311127 /nfs/dbraw/zinc/31/11/27/944311127.db2.gz LHLWKYHZNMPXAX-UKRRQHHQSA-N 2 2 306.410 0.744 20 30 DCEDLP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001276819011 944313047 /nfs/dbraw/zinc/31/30/47/944313047.db2.gz CBMUKINLUFALSE-JKSUJKDBSA-N 2 2 318.421 0.892 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317150731 944826246 /nfs/dbraw/zinc/82/62/46/944826246.db2.gz OHBXMAXBVYOFGV-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317150731 944826249 /nfs/dbraw/zinc/82/62/49/944826249.db2.gz OHBXMAXBVYOFGV-HNNXBMFYSA-N 2 2 318.421 0.820 20 30 DCEDLP COCC#CC[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001317220957 944858476 /nfs/dbraw/zinc/85/84/76/944858476.db2.gz PPOAAYJUFFWWNA-UHFFFAOYSA-N 2 2 318.421 0.629 20 30 DCEDLP CC[N@@H+](CC#CCOC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317482848 944993338 /nfs/dbraw/zinc/99/33/38/944993338.db2.gz WFEHIVMHAPNPLN-HNNXBMFYSA-N 2 2 318.421 0.533 20 30 DCEDLP 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C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001286473857 956276653 /nfs/dbraw/zinc/27/66/53/956276653.db2.gz YWQYDHILJNWVOJ-MRXNPFEDSA-N 2 2 316.453 0.684 20 30 DCEDLP C#CC[NH+]1CCN(c2nnc(C)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001286473857 956276661 /nfs/dbraw/zinc/27/66/61/956276661.db2.gz YWQYDHILJNWVOJ-MRXNPFEDSA-N 2 2 316.453 0.684 20 30 DCEDLP C=C(Cl)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001381164355 963859213 /nfs/dbraw/zinc/85/92/13/963859213.db2.gz DRCJJTFLIGJTEJ-UHFFFAOYSA-N 2 2 312.801 0.579 20 30 DCEDLP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001502602947 1015994243 /nfs/dbraw/zinc/99/42/43/1015994243.db2.gz BAWYALAWOWIZNG-KRWDZBQOSA-N 2 2 318.421 0.630 20 30 DCEDLP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001401540903 1000478966 /nfs/dbraw/zinc/47/89/66/1000478966.db2.gz OSRVQUKZRVTBSQ-GFCCVEGCSA-N 2 2 314.817 0.746 20 30 DCEDLP C#CC[N@@H+](C)CCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C(C)C ZINC001507862601 1016586879 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20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nncs2)CC1 ZINC001497991098 1018566200 /nfs/dbraw/zinc/56/62/00/1018566200.db2.gz UCSZBFWGQPCWHB-GFCCVEGCSA-N 2 2 321.450 0.478 20 30 DCEDLP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500693046 1018586344 /nfs/dbraw/zinc/58/63/44/1018586344.db2.gz QLBWBNZDHAOKGB-MRXNPFEDSA-N 2 2 322.409 0.479 20 30 DCEDLP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500693046 1018586355 /nfs/dbraw/zinc/58/63/55/1018586355.db2.gz QLBWBNZDHAOKGB-MRXNPFEDSA-N 2 2 322.409 0.479 20 30 DCEDLP C#CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501830877 1019498074 /nfs/dbraw/zinc/49/80/74/1019498074.db2.gz HOLYQIXEFOPROJ-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C#CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501830877 1019498078 /nfs/dbraw/zinc/49/80/78/1019498078.db2.gz HOLYQIXEFOPROJ-INIZCTEOSA-N 2 2 307.438 0.559 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)CCC)C1=O ZINC001499107012 1019748043 /nfs/dbraw/zinc/74/80/43/1019748043.db2.gz OGUOYXJKUQEQCT-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([NH+]2CC[C@H]2CNC(=O)C[N@H+](C)CCC)C1=O ZINC001499107012 1019748061 /nfs/dbraw/zinc/74/80/61/1019748061.db2.gz OGUOYXJKUQEQCT-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499107012 1019748080 /nfs/dbraw/zinc/74/80/80/1019748080.db2.gz OGUOYXJKUQEQCT-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)CCC)C1=O ZINC001499107012 1019748095 /nfs/dbraw/zinc/74/80/95/1019748095.db2.gz OGUOYXJKUQEQCT-LSDHHAIUSA-N 2 2 322.453 0.306 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246661493 238159605 /nfs/dbraw/zinc/15/96/05/238159605.db2.gz SFOHEZYMTOLLRC-CVEARBPZSA-N 2 2 322.453 0.791 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246661493 238159606 /nfs/dbraw/zinc/15/96/06/238159606.db2.gz SFOHEZYMTOLLRC-CVEARBPZSA-N 2 2 322.453 0.791 20 30 DCEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266937907 238212660 /nfs/dbraw/zinc/21/26/60/238212660.db2.gz QIDVKNURIYOFPV-CYBMUJFWSA-N 2 2 304.398 0.303 20 30 DCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N2CCOCC2)cc1 ZINC000267004366 238216204 /nfs/dbraw/zinc/21/62/04/238216204.db2.gz IXQUSQQPOPEPMD-UHFFFAOYSA-N 2 2 320.393 0.244 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000491253291 241111303 /nfs/dbraw/zinc/11/13/03/241111303.db2.gz MPNLRAIWEQYOIN-ZACQAIPSSA-N 2 2 319.449 0.389 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000491253291 241111307 /nfs/dbraw/zinc/11/13/07/241111307.db2.gz MPNLRAIWEQYOIN-ZACQAIPSSA-N 2 2 319.449 0.389 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000596049018 396712161 /nfs/dbraw/zinc/71/21/61/396712161.db2.gz XRXFBKYBDZTVRM-JSGCOSHPSA-N 2 2 324.425 0.230 20 30 DCEDLP C[N@H+](CCOc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522729 396878623 /nfs/dbraw/zinc/87/86/23/396878623.db2.gz YVXHFZBDNVLWDE-UHFFFAOYSA-N 2 2 316.405 0.643 20 30 DCEDLP C[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000611522729 396878626 /nfs/dbraw/zinc/87/86/26/396878626.db2.gz YVXHFZBDNVLWDE-UHFFFAOYSA-N 2 2 316.405 0.643 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000365845172 397325238 /nfs/dbraw/zinc/32/52/38/397325238.db2.gz VISZGASFCKWNQG-ZDUSSCGKSA-N 2 2 301.394 0.785 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(C#N)c[nH]3)C2)CC1 ZINC000365845172 397325241 /nfs/dbraw/zinc/32/52/41/397325241.db2.gz VISZGASFCKWNQG-ZDUSSCGKSA-N 2 2 301.394 0.785 20 30 DCEDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(CC#N)cc1 ZINC000602989190 397543474 /nfs/dbraw/zinc/54/34/74/397543474.db2.gz GRLYDKPHKOFISN-UHFFFAOYSA-N 2 2 300.406 0.958 20 30 DCEDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(CC#N)cc1 ZINC000602989190 397543476 /nfs/dbraw/zinc/54/34/76/397543476.db2.gz GRLYDKPHKOFISN-UHFFFAOYSA-N 2 2 300.406 0.958 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438173 416157759 /nfs/dbraw/zinc/15/77/59/416157759.db2.gz ASIXAIRLDWTZGK-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339438173 416157762 /nfs/dbraw/zinc/15/77/62/416157762.db2.gz ASIXAIRLDWTZGK-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339438173 416157766 /nfs/dbraw/zinc/15/77/66/416157766.db2.gz ASIXAIRLDWTZGK-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339438173 416157768 /nfs/dbraw/zinc/15/77/68/416157768.db2.gz ASIXAIRLDWTZGK-CZUORRHYSA-N 2 2 308.426 0.804 20 30 DCEDLP C=CC[C@H](CO)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341874657 416247050 /nfs/dbraw/zinc/24/70/50/416247050.db2.gz HEHWOOVCLRFQRZ-INIZCTEOSA-N 2 2 311.470 0.557 20 30 DCEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341874657 416247053 /nfs/dbraw/zinc/24/70/53/416247053.db2.gz HEHWOOVCLRFQRZ-INIZCTEOSA-N 2 2 311.470 0.557 20 30 DCEDLP C#CC[NH+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000491252305 416593074 /nfs/dbraw/zinc/59/30/74/416593074.db2.gz HGSIDFFFQAZOSV-KRWDZBQOSA-N 2 2 318.421 0.111 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000491569439 416606050 /nfs/dbraw/zinc/60/60/50/416606050.db2.gz WAXMDQUAAWZSRR-MRXNPFEDSA-N 2 2 307.438 0.248 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000491569439 416606054 /nfs/dbraw/zinc/60/60/54/416606054.db2.gz WAXMDQUAAWZSRR-MRXNPFEDSA-N 2 2 307.438 0.248 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CC[C@H](C)C2)CC1 ZINC000491672447 416614141 /nfs/dbraw/zinc/61/41/41/416614141.db2.gz RWECCSFQVCHXPD-IRXDYDNUSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)CC1 ZINC000491672447 416614146 /nfs/dbraw/zinc/61/41/46/416614146.db2.gz RWECCSFQVCHXPD-IRXDYDNUSA-N 2 2 321.465 0.901 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000490865562 416577939 /nfs/dbraw/zinc/57/79/39/416577939.db2.gz DSBIJPUOHWMONH-IRXDYDNUSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000490865562 416577942 /nfs/dbraw/zinc/57/79/42/416577942.db2.gz DSBIJPUOHWMONH-IRXDYDNUSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000490865562 416577945 /nfs/dbraw/zinc/57/79/45/416577945.db2.gz DSBIJPUOHWMONH-IRXDYDNUSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CCN1CCN(C(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000490865562 416577951 /nfs/dbraw/zinc/57/79/51/416577951.db2.gz DSBIJPUOHWMONH-IRXDYDNUSA-N 2 2 320.481 0.426 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000491104895 416584630 /nfs/dbraw/zinc/58/46/30/416584630.db2.gz UAJXONZSXKKAKC-MRXNPFEDSA-N 2 2 319.449 0.703 20 30 DCEDLP C#CC[N@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000491693133 416615964 /nfs/dbraw/zinc/61/59/64/416615964.db2.gz SQOAADLJFUUPDW-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000491693133 416615968 /nfs/dbraw/zinc/61/59/68/416615968.db2.gz SQOAADLJFUUPDW-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000491693133 416615972 /nfs/dbraw/zinc/61/59/72/416615972.db2.gz SQOAADLJFUUPDW-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000491693133 416615975 /nfs/dbraw/zinc/61/59/75/416615975.db2.gz SQOAADLJFUUPDW-MRXNPFEDSA-N 2 2 307.438 0.701 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000491742503 416621538 /nfs/dbraw/zinc/62/15/38/416621538.db2.gz QKHIPLUIKKKPRZ-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000491747919 416623147 /nfs/dbraw/zinc/62/31/47/416623147.db2.gz DCOFXDLBOGEDDT-DLBZAZTESA-N 2 2 315.417 0.351 20 30 DCEDLP C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000491747919 416623152 /nfs/dbraw/zinc/62/31/52/416623152.db2.gz DCOFXDLBOGEDDT-DLBZAZTESA-N 2 2 315.417 0.351 20 30 DCEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC000615539461 416857367 /nfs/dbraw/zinc/85/73/67/416857367.db2.gz IFQJWVOUXMQUNR-BBRMVZONSA-N 2 2 323.416 0.802 20 30 DCEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@](F)(C#N)C3)C2)CC1 ZINC000615539461 416857373 /nfs/dbraw/zinc/85/73/73/416857373.db2.gz IFQJWVOUXMQUNR-BBRMVZONSA-N 2 2 323.416 0.802 20 30 DCEDLP CC#CC[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000645393386 417738011 /nfs/dbraw/zinc/73/80/11/417738011.db2.gz VIYOXSHWSNOBED-CQSZACIVSA-N 2 2 310.442 0.086 20 30 DCEDLP C=CC[C@]1(C(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCC[NH2+]1 ZINC000662745987 417883463 /nfs/dbraw/zinc/88/34/63/417883463.db2.gz HQDPWUFGNJTYLL-MRXNPFEDSA-N 2 2 308.426 0.093 20 30 DCEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC000376188924 275717284 /nfs/dbraw/zinc/71/72/84/275717284.db2.gz ROPOYNGJVKVKRO-RDJZCZTQSA-N 2 2 319.449 0.653 20 30 DCEDLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)C[C@@H](C)O1 ZINC000580701785 332987267 /nfs/dbraw/zinc/98/72/67/332987267.db2.gz UZCACSVFVKXPPR-OAGGEKHMSA-N 2 2 312.458 0.282 20 30 DCEDLP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000491523288 333113616 /nfs/dbraw/zinc/11/36/16/333113616.db2.gz CVDAJQZPRSFCSK-UHFFFAOYSA-N 2 2 308.426 0.106 20 30 DCEDLP C[C@@H](CNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[NH+]1CCOCC1 ZINC000329821402 336086006 /nfs/dbraw/zinc/08/60/06/336086006.db2.gz YNLSWVSUCDCWGT-IPYPFGDCSA-N 2 2 310.442 0.693 20 30 DCEDLP CC(C)(CNC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N)[NH+]1CCOCC1 ZINC000332547363 336174104 /nfs/dbraw/zinc/17/41/04/336174104.db2.gz CSACJWJQMXJSIB-UONOGXRCSA-N 2 2 308.426 0.495 20 30 DCEDLP C[NH+]=C(NCC[N@@H+]1CCOCC1(C)C)N(C)C[C@H]1CCOC1 ZINC000178962252 337166562 /nfs/dbraw/zinc/16/65/62/337166562.db2.gz GFLLJOMXEPLUMW-CQSZACIVSA-N 2 2 312.458 0.641 20 30 DCEDLP C[NH+]=C(NCC[N@H+]1CCOCC1(C)C)N(C)C[C@H]1CCOC1 ZINC000178962252 337166563 /nfs/dbraw/zinc/16/65/63/337166563.db2.gz GFLLJOMXEPLUMW-CQSZACIVSA-N 2 2 312.458 0.641 20 30 DCEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583760831 337330905 /nfs/dbraw/zinc/33/09/05/337330905.db2.gz SJEIYZZOIJUOEO-XJKSGUPXSA-N 2 2 318.425 0.975 20 30 DCEDLP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000434171512 338211539 /nfs/dbraw/zinc/21/15/39/338211539.db2.gz DDWVIHVFXQCAPO-HNNXBMFYSA-N 2 2 324.469 0.999 20 30 DCEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000490718173 339838480 /nfs/dbraw/zinc/83/84/80/339838480.db2.gz HLYOTGKCIRLNOW-GOSISDBHSA-N 2 2 312.417 0.900 20 30 DCEDLP CC[N@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000131734916 341110327 /nfs/dbraw/zinc/11/03/27/341110327.db2.gz CLENJRXOANIQAQ-UHFFFAOYSA-N 2 2 308.426 0.545 20 30 DCEDLP CC[N@@H+](CC(=O)N(CCC#N)CC[NH+]1CCOCC1)C1CC1 ZINC000131734916 341110328 /nfs/dbraw/zinc/11/03/28/341110328.db2.gz CLENJRXOANIQAQ-UHFFFAOYSA-N 2 2 308.426 0.545 20 30 DCEDLP COc1ccc(NC(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000264063476 533990873 /nfs/dbraw/zinc/99/08/73/533990873.db2.gz DIPAVWZDKNVNLB-ZDUSSCGKSA-N 2 2 308.382 0.115 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261769849 526368131 /nfs/dbraw/zinc/36/81/31/526368131.db2.gz NWWNTBJMRNYLDC-IUODEOHRSA-N 3 2 304.442 0.839 20 30 DCEDLP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261769849 526368140 /nfs/dbraw/zinc/36/81/40/526368140.db2.gz NWWNTBJMRNYLDC-IUODEOHRSA-N 3 2 304.442 0.839 20 30 DCEDLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262250859 529074330 /nfs/dbraw/zinc/07/43/30/529074330.db2.gz POZPMLUMJGUFRT-CHWSQXEVSA-N 2 2 316.471 0.342 20 30 DCEDLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262250859 529074335 /nfs/dbraw/zinc/07/43/35/529074335.db2.gz POZPMLUMJGUFRT-CHWSQXEVSA-N 2 2 316.471 0.342 20 30 DCEDLP C=CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662253670 546371224 /nfs/dbraw/zinc/37/12/24/546371224.db2.gz VJSQOUHBVZRAMT-STQMWFEESA-N 2 2 300.424 0.183 20 30 DCEDLP C=CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCS(=O)(=O)C1 ZINC000662253670 546371227 /nfs/dbraw/zinc/37/12/27/546371227.db2.gz VJSQOUHBVZRAMT-STQMWFEESA-N 2 2 300.424 0.183 20 30 DCEDLP C=CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672643248 547389631 /nfs/dbraw/zinc/38/96/31/547389631.db2.gz VPNGBKJPPIWTEL-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C=CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672643248 547389636 /nfs/dbraw/zinc/38/96/36/547389636.db2.gz VPNGBKJPPIWTEL-AWEZNQCLSA-N 2 2 322.453 0.306 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001665549663 1174532793 /nfs/dbraw/zinc/53/27/93/1174532793.db2.gz KVBJZLNLYLNHOO-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC001665549663 1174532796 /nfs/dbraw/zinc/53/27/96/1174532796.db2.gz KVBJZLNLYLNHOO-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC[C@H](C)O)C1 ZINC001665549663 1174532800 /nfs/dbraw/zinc/53/28/00/1174532800.db2.gz KVBJZLNLYLNHOO-XHSDSOJGSA-N 2 2 307.438 0.436 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001673352853 1175194705 /nfs/dbraw/zinc/19/47/05/1175194705.db2.gz UMXLCFCYOIQVBS-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001673352853 1175194706 /nfs/dbraw/zinc/19/47/06/1175194706.db2.gz UMXLCFCYOIQVBS-INIZCTEOSA-N 2 2 306.454 0.180 20 30 DCEDLP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980454779 660945877 /nfs/dbraw/zinc/94/58/77/660945877.db2.gz YZURQBBRNUHCEV-HOTGVXAUSA-N 2 2 307.438 0.816 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)OC)CC1 ZINC000981361539 661140041 /nfs/dbraw/zinc/14/00/41/661140041.db2.gz RTBGTVQQAAWFOD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)OC)CC1 ZINC000981361539 661140042 /nfs/dbraw/zinc/14/00/42/661140042.db2.gz RTBGTVQQAAWFOD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)OC)CC1 ZINC000981361539 661140043 /nfs/dbraw/zinc/14/00/43/661140043.db2.gz RTBGTVQQAAWFOD-CVEARBPZSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820105 661223264 /nfs/dbraw/zinc/22/32/64/661223264.db2.gz JOKKDGUWYCPZPK-INIZCTEOSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820105 661223266 /nfs/dbraw/zinc/22/32/66/661223266.db2.gz JOKKDGUWYCPZPK-INIZCTEOSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820105 661223267 /nfs/dbraw/zinc/22/32/67/661223267.db2.gz JOKKDGUWYCPZPK-INIZCTEOSA-N 2 2 307.438 0.653 20 30 DCEDLP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820105 661223269 /nfs/dbraw/zinc/22/32/69/661223269.db2.gz JOKKDGUWYCPZPK-INIZCTEOSA-N 2 2 307.438 0.653 20 30 DCEDLP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454393 657882595 /nfs/dbraw/zinc/88/25/95/657882595.db2.gz UTPBFPUIASVRNK-ZDUSSCGKSA-N 2 2 304.394 0.811 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454393 657882601 /nfs/dbraw/zinc/88/26/01/657882601.db2.gz UTPBFPUIASVRNK-ZDUSSCGKSA-N 2 2 304.394 0.811 20 30 DCEDLP C#CC[NH2+]C1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000998803835 665529075 /nfs/dbraw/zinc/52/90/75/665529075.db2.gz CVXCCLJBSJCFEU-UHFFFAOYSA-N 2 2 300.406 0.974 20 30 DCEDLP C#CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000972688546 658244036 /nfs/dbraw/zinc/24/40/36/658244036.db2.gz OWGJIWFWDZJNKC-SFHVURJKSA-N 2 2 319.449 0.799 20 30 DCEDLP C#CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000972688546 658244043 /nfs/dbraw/zinc/24/40/43/658244043.db2.gz OWGJIWFWDZJNKC-SFHVURJKSA-N 2 2 319.449 0.799 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972700562 658290105 /nfs/dbraw/zinc/29/01/05/658290105.db2.gz ZBBRNUXELPVOAM-INIZCTEOSA-N 2 2 304.394 0.763 20 30 DCEDLP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972700562 658290109 /nfs/dbraw/zinc/29/01/09/658290109.db2.gz ZBBRNUXELPVOAM-INIZCTEOSA-N 2 2 304.394 0.763 20 30 DCEDLP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992687 658331865 /nfs/dbraw/zinc/33/18/65/658331865.db2.gz OETHTPSMIUFTBI-KBPBESRZSA-N 2 2 300.406 0.905 20 30 DCEDLP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506065 658671413 /nfs/dbraw/zinc/67/14/13/658671413.db2.gz IRZPUDOVRNAHHB-BZUAXINKSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506065 658671418 /nfs/dbraw/zinc/67/14/18/658671418.db2.gz IRZPUDOVRNAHHB-BZUAXINKSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506065 658671424 /nfs/dbraw/zinc/67/14/24/658671424.db2.gz IRZPUDOVRNAHHB-BZUAXINKSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506065 658671430 /nfs/dbraw/zinc/67/14/30/658671430.db2.gz IRZPUDOVRNAHHB-BZUAXINKSA-N 2 2 307.438 0.700 20 30 DCEDLP CC#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972408170 658729618 /nfs/dbraw/zinc/72/96/18/658729618.db2.gz JCDGPUSVJGYBKI-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP CC#CC[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972408170 658729621 /nfs/dbraw/zinc/72/96/21/658729621.db2.gz JCDGPUSVJGYBKI-QGZVFWFLSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972410885 658733828 /nfs/dbraw/zinc/73/38/28/658733828.db2.gz VOROZXDYFGHCCK-NVXWUHKLSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972410885 658733834 /nfs/dbraw/zinc/73/38/34/658733834.db2.gz VOROZXDYFGHCCK-NVXWUHKLSA-N 2 2 305.422 0.263 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001022117997 658874323 /nfs/dbraw/zinc/87/43/23/658874323.db2.gz LBPSKWJQJBRVIC-ZOWXZIJZSA-N 2 2 301.394 0.660 20 30 DCEDLP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001022117997 658874327 /nfs/dbraw/zinc/87/43/27/658874327.db2.gz LBPSKWJQJBRVIC-ZOWXZIJZSA-N 2 2 301.394 0.660 20 30 DCEDLP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@H]21 ZINC001026408308 659310479 /nfs/dbraw/zinc/31/04/79/659310479.db2.gz CUMRPJYXUKNDDV-NUEKZKHPSA-N 2 2 300.406 0.813 20 30 DCEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)C[C@H]1CCOC1 ZINC000261703086 661467601 /nfs/dbraw/zinc/46/76/01/661467601.db2.gz UFGQSJDMTYWNOR-CYBMUJFWSA-N 2 2 300.472 0.579 20 30 DCEDLP C#CC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001028551879 661605537 /nfs/dbraw/zinc/60/55/37/661605537.db2.gz AKPYUPXHHXICEX-XJKSGUPXSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001028551879 661605539 /nfs/dbraw/zinc/60/55/39/661605539.db2.gz AKPYUPXHHXICEX-XJKSGUPXSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028551879 661605541 /nfs/dbraw/zinc/60/55/41/661605541.db2.gz AKPYUPXHHXICEX-XJKSGUPXSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001028551879 661605543 /nfs/dbraw/zinc/60/55/43/661605543.db2.gz AKPYUPXHHXICEX-XJKSGUPXSA-N 2 2 315.421 0.861 20 30 DCEDLP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643735 661716004 /nfs/dbraw/zinc/71/60/04/661716004.db2.gz RJTNCAZZLPSKNE-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001028643735 661716006 /nfs/dbraw/zinc/71/60/06/661716006.db2.gz RJTNCAZZLPSKNE-HUUCEWRRSA-N 2 2 300.406 0.907 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)OC ZINC001029342477 662111634 /nfs/dbraw/zinc/11/16/34/662111634.db2.gz QBQYMUSRLKBYRT-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)OC ZINC001029342477 662111636 /nfs/dbraw/zinc/11/16/36/662111636.db2.gz QBQYMUSRLKBYRT-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)OC ZINC001029342477 662111637 /nfs/dbraw/zinc/11/16/37/662111637.db2.gz QBQYMUSRLKBYRT-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)OC ZINC001029342477 662111638 /nfs/dbraw/zinc/11/16/38/662111638.db2.gz QBQYMUSRLKBYRT-NCOADZHNSA-N 2 2 319.449 0.794 20 30 DCEDLP C#CC[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000895808619 662217303 /nfs/dbraw/zinc/21/73/03/662217303.db2.gz LJNPRFRJUGXMRV-UHFFFAOYSA-N 2 2 301.394 0.823 20 30 DCEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC[C@H]2CCNC2=O)cc1 ZINC000902281024 663402161 /nfs/dbraw/zinc/40/21/61/663402161.db2.gz JCWXWTNMDYJCLK-CQSZACIVSA-N 2 2 304.394 0.911 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730285723 664676742 /nfs/dbraw/zinc/67/67/42/664676742.db2.gz GKFSDTWMDNYGHN-JYJNAYRXSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000730285723 664676744 /nfs/dbraw/zinc/67/67/44/664676744.db2.gz GKFSDTWMDNYGHN-JYJNAYRXSA-N 2 2 305.422 0.142 20 30 DCEDLP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000913876840 664729939 /nfs/dbraw/zinc/72/99/39/664729939.db2.gz NHHHBFNTYQSOIL-UHFFFAOYSA-N 2 2 322.453 0.494 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001031740511 665395839 /nfs/dbraw/zinc/39/58/39/665395839.db2.gz DZSABOFCBPZFNM-KRWDZBQOSA-N 2 2 312.417 0.727 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001031740511 665395842 /nfs/dbraw/zinc/39/58/42/665395842.db2.gz DZSABOFCBPZFNM-KRWDZBQOSA-N 2 2 312.417 0.727 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031978744 666079738 /nfs/dbraw/zinc/07/97/38/666079738.db2.gz WLVPFSXFVZGHTB-HNNXBMFYSA-N 2 2 300.406 0.825 20 30 DCEDLP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031978745 666079796 /nfs/dbraw/zinc/07/97/96/666079796.db2.gz WLVPFSXFVZGHTB-OAHLLOKOSA-N 2 2 300.406 0.825 20 30 DCEDLP C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096800 666503150 /nfs/dbraw/zinc/50/31/50/666503150.db2.gz NKXYQNBEHFUPFI-OAHLLOKOSA-N 2 2 300.406 0.928 20 30 DCEDLP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033096800 666503153 /nfs/dbraw/zinc/50/31/53/666503153.db2.gz NKXYQNBEHFUPFI-OAHLLOKOSA-N 2 2 300.406 0.928 20 30 DCEDLP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC000995591714 666506179 /nfs/dbraw/zinc/50/61/79/666506179.db2.gz UFCCXUSFRJWRKV-QWHCGFSZSA-N 2 2 315.845 0.896 20 30 DCEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000995974998 666727376 /nfs/dbraw/zinc/72/73/76/666727376.db2.gz NZIIOHFCNXNWAO-ZIAGYGMSSA-N 2 2 300.406 0.905 20 30 DCEDLP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001035515821 667363503 /nfs/dbraw/zinc/36/35/03/667363503.db2.gz JVMWQQXXHGRRDC-RBSFLKMASA-N 2 2 318.421 0.917 20 30 DCEDLP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001035515821 667363505 /nfs/dbraw/zinc/36/35/05/667363505.db2.gz JVMWQQXXHGRRDC-RBSFLKMASA-N 2 2 318.421 0.917 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035678861 667397953 /nfs/dbraw/zinc/39/79/53/667397953.db2.gz GWLNETWUDKDAOU-OAHLLOKOSA-N 2 2 305.422 0.265 20 30 DCEDLP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035678861 667397955 /nfs/dbraw/zinc/39/79/55/667397955.db2.gz GWLNETWUDKDAOU-OAHLLOKOSA-N 2 2 305.422 0.265 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC1CC[NH+](CCCC)CC1 ZINC000884206152 667498771 /nfs/dbraw/zinc/49/87/71/667498771.db2.gz NUKAWGFSGILCMT-AWEZNQCLSA-N 2 2 311.426 0.814 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000884229773 667505512 /nfs/dbraw/zinc/50/55/12/667505512.db2.gz ADLKGNZTSFTFKC-GJZGRUSLSA-N 2 2 323.437 0.623 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000884229773 667505515 /nfs/dbraw/zinc/50/55/15/667505515.db2.gz ADLKGNZTSFTFKC-GJZGRUSLSA-N 2 2 323.437 0.623 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000884328836 667525317 /nfs/dbraw/zinc/52/53/17/667525317.db2.gz YGBXLNADWDXUIP-HZSPNIEDSA-N 2 2 309.410 0.376 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328836 667525319 /nfs/dbraw/zinc/52/53/19/667525319.db2.gz YGBXLNADWDXUIP-HZSPNIEDSA-N 2 2 309.410 0.376 20 30 DCEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000884335765 667526492 /nfs/dbraw/zinc/52/64/92/667526492.db2.gz BFDALSUTOLGQAH-RDBSUJKOSA-N 2 2 309.410 0.424 20 30 DCEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000890369343 668122791 /nfs/dbraw/zinc/12/27/91/668122791.db2.gz TWNJZIPVRBCCKY-HNNXBMFYSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000890369343 668122792 /nfs/dbraw/zinc/12/27/92/668122792.db2.gz TWNJZIPVRBCCKY-HNNXBMFYSA-N 2 2 322.453 0.182 20 30 DCEDLP C#CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000949217050 670289067 /nfs/dbraw/zinc/28/90/67/670289067.db2.gz GDNBAOVJENCYFZ-UHFFFAOYSA-N 2 2 302.378 0.279 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000949399156 670332977 /nfs/dbraw/zinc/33/29/77/670332977.db2.gz WOAKVFVPUWPMBO-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000949399156 670332981 /nfs/dbraw/zinc/33/29/81/670332981.db2.gz WOAKVFVPUWPMBO-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000949399156 670332984 /nfs/dbraw/zinc/33/29/84/670332984.db2.gz WOAKVFVPUWPMBO-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000949399156 670332987 /nfs/dbraw/zinc/33/29/87/670332987.db2.gz WOAKVFVPUWPMBO-MRXNPFEDSA-N 2 2 319.449 0.797 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000949458818 670347343 /nfs/dbraw/zinc/34/73/43/670347343.db2.gz WKNLROVMPQLRQA-UHFFFAOYSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000949458818 670347345 /nfs/dbraw/zinc/34/73/45/670347345.db2.gz WKNLROVMPQLRQA-UHFFFAOYSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949509721 670357830 /nfs/dbraw/zinc/35/78/30/670357830.db2.gz XWQUSUSFGQHNBE-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[NH+]1CCOC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949509721 670357836 /nfs/dbraw/zinc/35/78/36/670357836.db2.gz XWQUSUSFGQHNBE-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509721 670357838 /nfs/dbraw/zinc/35/78/38/670357838.db2.gz XWQUSUSFGQHNBE-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C#CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509721 670357842 /nfs/dbraw/zinc/35/78/42/670357842.db2.gz XWQUSUSFGQHNBE-MRXNPFEDSA-N 2 2 319.449 0.655 20 30 DCEDLP C[NH+]=C(NCCN1CCOCC1)NCc1c[nH+]c2n1CCCC2 ZINC000849002908 670747905 /nfs/dbraw/zinc/74/79/05/670747905.db2.gz YMANXRCJIFAZNK-UHFFFAOYSA-N 2 2 320.441 0.217 20 30 DCEDLP C#CCO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267240 671382699 /nfs/dbraw/zinc/38/26/99/671382699.db2.gz ROUAZWPQJUVGKG-ZBFHGGJFSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CCO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267240 671382703 /nfs/dbraw/zinc/38/27/03/671382703.db2.gz ROUAZWPQJUVGKG-ZBFHGGJFSA-N 2 2 307.438 0.652 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1 ZINC001020250894 693745499 /nfs/dbraw/zinc/74/54/99/693745499.db2.gz WAUSIYXTGDTXDS-IHRRRGAJSA-N 2 2 318.446 0.978 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1 ZINC001020250894 693745503 /nfs/dbraw/zinc/74/55/03/693745503.db2.gz WAUSIYXTGDTXDS-IHRRRGAJSA-N 2 2 318.446 0.978 20 30 DCEDLP CCC(CC)[C@@H](CNC(=[NH2+])N1CCOCC1)[NH+]1CCOCC1 ZINC000303787874 685207043 /nfs/dbraw/zinc/20/70/43/685207043.db2.gz TUKKSOPYDNDDOW-OAHLLOKOSA-N 2 2 312.458 0.770 20 30 DCEDLP CC(C)(C)[S@@](=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304751993 685212076 /nfs/dbraw/zinc/21/20/76/685212076.db2.gz JUGFFDHBJWMOQL-NRFANRHFSA-N 2 2 318.487 0.160 20 30 DCEDLP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958069757 687322974 /nfs/dbraw/zinc/32/29/74/687322974.db2.gz PVFPGLPNXIATOK-GJZGRUSLSA-N 2 2 314.389 0.851 20 30 DCEDLP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000958069757 687322977 /nfs/dbraw/zinc/32/29/77/687322977.db2.gz PVFPGLPNXIATOK-GJZGRUSLSA-N 2 2 314.389 0.851 20 30 DCEDLP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958258754 687488576 /nfs/dbraw/zinc/48/85/76/687488576.db2.gz VUXWNIOXYOJGHJ-DZGCQCFKSA-N 2 2 312.373 0.380 20 30 DCEDLP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958258754 687488581 /nfs/dbraw/zinc/48/85/81/687488581.db2.gz VUXWNIOXYOJGHJ-DZGCQCFKSA-N 2 2 312.373 0.380 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001039648540 694398760 /nfs/dbraw/zinc/39/87/60/694398760.db2.gz RZMVRZSWILCSSW-NXOAAHMSSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001039648540 694398762 /nfs/dbraw/zinc/39/87/62/694398762.db2.gz RZMVRZSWILCSSW-NXOAAHMSSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C[C@H](C)O ZINC001039648540 694398767 /nfs/dbraw/zinc/39/87/67/694398767.db2.gz RZMVRZSWILCSSW-NXOAAHMSSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C[C@H](C)O ZINC001039648540 694398771 /nfs/dbraw/zinc/39/87/71/694398771.db2.gz RZMVRZSWILCSSW-NXOAAHMSSA-N 2 2 319.449 0.530 20 30 DCEDLP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040137142 694497358 /nfs/dbraw/zinc/49/73/58/694497358.db2.gz NAOIJSSOEHVSQC-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040137142 694497361 /nfs/dbraw/zinc/49/73/61/694497361.db2.gz NAOIJSSOEHVSQC-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040137142 694497364 /nfs/dbraw/zinc/49/73/64/694497364.db2.gz NAOIJSSOEHVSQC-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040137142 694497366 /nfs/dbraw/zinc/49/73/66/694497366.db2.gz NAOIJSSOEHVSQC-DOTOQJQBSA-N 2 2 305.422 0.265 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001014779108 692091458 /nfs/dbraw/zinc/09/14/58/692091458.db2.gz IMXGTVXKEPXIEH-RDJZCZTQSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001014779108 692091460 /nfs/dbraw/zinc/09/14/60/692091460.db2.gz IMXGTVXKEPXIEH-RDJZCZTQSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001014779108 692091462 /nfs/dbraw/zinc/09/14/62/692091462.db2.gz IMXGTVXKEPXIEH-RDJZCZTQSA-N 2 2 319.449 0.844 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001014779108 692091464 /nfs/dbraw/zinc/09/14/64/692091464.db2.gz IMXGTVXKEPXIEH-RDJZCZTQSA-N 2 2 319.449 0.844 20 30 DCEDLP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017560603 692937285 /nfs/dbraw/zinc/93/72/85/692937285.db2.gz IBDRKNXVZPBXBZ-GASCZTMLSA-N 2 2 317.437 0.920 20 30 DCEDLP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001017560603 692937290 /nfs/dbraw/zinc/93/72/90/692937290.db2.gz 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ZINC001731659170 1185433734 /nfs/dbraw/zinc/43/37/34/1185433734.db2.gz CJKSWPGFIXMQEQ-ZDUSSCGKSA-N 2 2 319.409 0.083 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147641 1185701012 /nfs/dbraw/zinc/70/10/12/1185701012.db2.gz UFABVLAXZRWJOS-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147641 1185701019 /nfs/dbraw/zinc/70/10/19/1185701019.db2.gz UFABVLAXZRWJOS-KKUMJFAQSA-N 2 2 322.453 0.304 20 30 DCEDLP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001732174815 1185720203 /nfs/dbraw/zinc/72/02/03/1185720203.db2.gz WSZAVJTWLWAFFQ-AWEZNQCLSA-N 2 2 306.410 0.996 20 30 DCEDLP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001732174815 1185720211 /nfs/dbraw/zinc/72/02/11/1185720211.db2.gz WSZAVJTWLWAFFQ-AWEZNQCLSA-N 2 2 306.410 0.996 20 30 DCEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnoc1C ZINC001732860645 1186019984 /nfs/dbraw/zinc/01/99/84/1186019984.db2.gz OZQKANQGHXBDDW-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnoc1C ZINC001732860645 1186019989 /nfs/dbraw/zinc/01/99/89/1186019989.db2.gz OZQKANQGHXBDDW-APHBUQMISA-N 2 2 316.405 0.843 20 30 DCEDLP COCC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001733344324 1186234639 /nfs/dbraw/zinc/23/46/39/1186234639.db2.gz SDIWDCHNKLFMLJ-HNNXBMFYSA-N 2 2 318.421 0.583 20 30 DCEDLP C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001734420093 1186648272 /nfs/dbraw/zinc/64/82/72/1186648272.db2.gz QRQPGCUHACKPSS-KBPBESRZSA-N 2 2 319.409 0.154 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001734542322 1186685024 /nfs/dbraw/zinc/68/50/24/1186685024.db2.gz NRJCTGIAUFIBES-DZGCQCFKSA-N 2 2 306.410 0.363 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001734542322 1186685028 /nfs/dbraw/zinc/68/50/28/1186685028.db2.gz NRJCTGIAUFIBES-DZGCQCFKSA-N 2 2 306.410 0.363 20 30 DCEDLP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001734542322 1186685031 /nfs/dbraw/zinc/68/50/31/1186685031.db2.gz NRJCTGIAUFIBES-DZGCQCFKSA-N 2 2 306.410 0.363 20 30 DCEDLP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001734542322 1186685033 /nfs/dbraw/zinc/68/50/33/1186685033.db2.gz NRJCTGIAUFIBES-DZGCQCFKSA-N 2 2 306.410 0.363 20 30 DCEDLP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001753341700 1188568077 /nfs/dbraw/zinc/56/80/77/1188568077.db2.gz CNILQZOMHMPZPR-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP CC#CC[NH+]1CCN(CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001753341700 1188568083 /nfs/dbraw/zinc/56/80/83/1188568083.db2.gz CNILQZOMHMPZPR-QGZVFWFLSA-N 2 2 320.481 0.570 20 30 DCEDLP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001753350808 1188571079 /nfs/dbraw/zinc/57/10/79/1188571079.db2.gz SFVWCEHSGUHQDW-LSDHHAIUSA-N 2 2 300.406 0.859 20 30 DCEDLP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001753350808 1188571081 /nfs/dbraw/zinc/57/10/81/1188571081.db2.gz SFVWCEHSGUHQDW-LSDHHAIUSA-N 2 2 300.406 0.859 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001753428109 1188593426 /nfs/dbraw/zinc/59/34/26/1188593426.db2.gz WQJJAHCQZNFLIT-HRCADAONSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001753428109 1188593428 /nfs/dbraw/zinc/59/34/28/1188593428.db2.gz WQJJAHCQZNFLIT-HRCADAONSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001753428109 1188593430 /nfs/dbraw/zinc/59/34/30/1188593430.db2.gz WQJJAHCQZNFLIT-HRCADAONSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001753428109 1188593432 /nfs/dbraw/zinc/59/34/32/1188593432.db2.gz WQJJAHCQZNFLIT-HRCADAONSA-N 2 2 323.437 0.195 20 30 DCEDLP C=CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001753892866 1188673662 /nfs/dbraw/zinc/67/36/62/1188673662.db2.gz CZZPPZGXMJANLC-JSGCOSHPSA-N 2 2 319.409 0.129 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001754268211 1188804616 /nfs/dbraw/zinc/80/46/16/1188804616.db2.gz NUUFUZCSFWNMSU-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001754268211 1188804618 /nfs/dbraw/zinc/80/46/18/1188804618.db2.gz NUUFUZCSFWNMSU-SWLSCSKDSA-N 2 2 303.410 0.908 20 30 DCEDLP C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001754973901 1188984917 /nfs/dbraw/zinc/98/49/17/1188984917.db2.gz IAOZCWCKIUPXNI-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001754973901 1188984919 /nfs/dbraw/zinc/98/49/19/1188984919.db2.gz IAOZCWCKIUPXNI-MRXNPFEDSA-N 2 2 307.438 0.703 20 30 DCEDLP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001755004545 1188993390 /nfs/dbraw/zinc/99/33/90/1188993390.db2.gz HYSJVUYSZSEOMT-LSDHHAIUSA-N 2 2 316.405 0.286 20 30 DCEDLP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001755005414 1188993403 /nfs/dbraw/zinc/99/34/03/1188993403.db2.gz OVZFINDLXLSXDB-HUUCEWRRSA-N 2 2 318.421 0.839 20 30 DCEDLP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001755004505 1188993502 /nfs/dbraw/zinc/99/35/02/1188993502.db2.gz HMYFWGLEKGUYIH-CABCVRRESA-N 2 2 316.405 0.286 20 30 DCEDLP COCC#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001755123898 1189031169 /nfs/dbraw/zinc/03/11/69/1189031169.db2.gz VQPPISMFYRXOSV-GOEBONIOSA-N 2 2 318.421 0.439 20 30 DCEDLP COCC#CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001755760539 1189204057 /nfs/dbraw/zinc/20/40/57/1189204057.db2.gz OVEXRNGWJPCROP-HNNXBMFYSA-N 2 2 318.421 0.750 20 30 DCEDLP